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Prof. Dr. Sander van Smaalen

vansmaalen_sander_170418_i3298l Prof. Dr. Sander van Smaalen
vansmaalen_sander_170418_i3298l

Fakultät für Mathematik, Physik und Informatik
Lehrstuhlinhaber Kristallographie


Berufserfahrung

seit 11/1995
Professor, Lehrstuhlinhaber Kristallographie, Universität Bayreuth
1994 – 1995
Appointment at the University of Kiel
1987 – 1994
Appointment at the State University of Groningen
1986
Postdoc at the State University of New York at Buffalo
1981 – 1985
Research assistant at the State University of Groningen

Ausbildung

1985 – 1981
Promotion, "Superspace and TCNQ, the description of the symmetry of crystals by super-space groups and the interpretation of some physical properties of TCNQ salts", Abteilung Chemie, Universität Groningen
1976 – 1981
Undergraduate Studies in Chemistry at the State University of Utrecht

Auszeichnungen und andere Verantwortlichkeiten

03/2015
8th Workshop on Structural Analysis of Aperiodic Crystals, Universität Bayreuth
04/2013
2nd International School on Aperiodic Crystals, Universität Bayreuth
vansmaalen_sander_170418_i3298l

Fakultät für Mathematik, Physik und Informatik
Lehrstuhlinhaber Kristallographie


  • Phasenumwandlung in niedrigdimensionalen kristallinen Festkörpern
  • Elektronendichteuntersuchungen
  • Maximum Entropie Methode
  • Aperiodische Kristalle
vansmaalen_sander_170418_i3298l

Fakultät für Mathematik, Physik und Informatik
Lehrstuhlinhaber Kristallographie


Ausgewählte Publikationen

2017

Thomson, M. D.; Rabia, K.; Meng, F.; Bykov, Maxim; van Smaalen, Sander; Roskos, H. G.
Phase-channel dynamics reveal the role of impurities and screening in a quasi-one-dimensional c ...
In: Scientific Reports Bd. 7 (2017) Heft 1
doi:10.1038/s41598-017-02198-x ...

2016

Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Liermann, Hanns-Peter; Kremer, Reinhard K.; Glaum, Robert; Dubrovinsky, Leonid; van Smaalen, Sander
High-Pressure Phase Transformations in TiPO₄ : A Route to Pentacoordinated Phosphorus
In: Angewandte Chemie International Edition Bd. 55 (2016) Heft 48. - S. 15053-15057
doi:10.1002/anie.201608530 ...

Ovsyannikov, Sergey V.; Bykov, Maxim; Bykova, Elena; Kozlenko, Denis P.; Tsirlin, Alexander A.; Karkin, Alexander E.; Shchennikov, Vladimir V.; Kichanov, Sergey E.; Gou, Huiyang; Abakumov, Artem M.; Egoavil, Ricardo; Verbeeck, Johan; McCammon, Catherine; Dyadkin, Vadim; Chernyshov, Dmitry; van Smaalen, Sander; Dubrovinsky, Leonid
Charge-ordering transition in iron oxide Fe₄O₅ involving competing dimer and trimer formation ...
In: Nature Chemistry Bd. 8 (2016) Heft 5. - S. 501-508
doi:10.1038/nchem.2478 ...

Rösken, Liz M.; Cappel, Felix; Körsten, Susanne; Fischer, Christian B.; Schönleber, Andreas; van Smaalen, Sander; Geimer, Stefan; Beresko, Christian; Ankerhold, Georg; Wehner, Stefan
Time-dependent growth of crystalline Au0-nanoparticles in cyanobacteria as self-reproducing bio ...
In: Beilstein Journal of Nanotechnology Bd. 7 (2016) . - S. 312-327
doi:10.3762/bjnano.7.30 ...

Mondal, Swastik; Bykova, Elena; Dey, Somnath; Ali, Sk Imran; Dubrovinskaia, Natalia; Dubrovinsky, Leonid; Parakhonskiy, Gleb; van Smaalen, Sander
Disorder and defects are not intrinsic to boron carbide
In: Scientific Reports Bd. 6 (2016)
doi:10.1038/srep19330 ...

Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Structural distortions in the high-pressure polar phases of ammonium metal formates
In: CrystEngComm Bd. 18 (2016) Heft 46. - S. 8849-8857
doi:10.1039/C6CE01891B ...

Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; van Smaalen, Sander
Superspace description of trimethyltin hydroxide at T = 100 K
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 231 (2016) Heft 7. - S. 427-434
doi:10.1515/zkri-2016-1952 ...

Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs
The Z' = 12 superstructure of [Lambda]-cobalt(III) sepulchrate trinitrate governed by C-H...O h ...
In: Acta Crystallographica Section B Bd. 72 (2016) Heft 3. - S. 372-380
doi:10.1107/S2052520616005503 ...

2015

Teng, Bing; Kong, Weijin; Feng, Ke; You, Fei; Cao, Lifeng; Zhong, Degao; Hao, Lun; Sun, Qing; van Smaalen, Sander; Gong, Wenhui
Synthesis, crystal structure and thermal analysis of a new stibazolium salt crystal
In: Frontiers of Materials Science Bd. 9 (2015) Heft 2. - S. 147-150
doi:10.1007/s11706-015-0284-x ...

Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Hanfland, Michael; Liermann, Hanns-Peter; van Smaalen, Sander
Pressure-induced normal-incommensurate and incommensurate-commensurate phase transitions in CrO ...
In: Scientific Reports Bd. 5 (2015)
doi:10.1038/srep09647 ...

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim; Gromilov, Sergey A.; Kurnosov, Alexander V.; Prescher, Clemens; Prakapenka, Vitali B.; Hanfland, Michael; van Smaalen, Sander; Margadonna, Serena; Dubrovinsky, Leonid
Compressibility of Ir–Os alloys under high pressure
In: Journal of Alloys and Compounds Bd. 622 (2015) . - S. 155-161
doi:10.1016/j.jallcom.2014.09.210 ...

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim; Gromilov, Sergey A.; Kurnosov, Alexander V.; Prescher, Clemens; Prakapenka, Vitali B.; Hanfland, Michael; van Smaalen, Sander; Margadonna, Serena; Dubrovinsky, Leonid
Compressibility of Ir–Os alloys under high pressure
In: Journal of Alloys and Compounds Bd. 622 (2015) . - S. 155 - 161
doi:10.1016/j.jallcom.2014.09.210 ...

Ali, Sk Imran; Mondal, Swastik; van Smaalen, Sander
Synthesis, Superstructure, and Vacancy-Ordering in 2H-CuxTa1+ySe2 (x, y = 0.52, 0 and 0.16, 0.0 ...
In: Zeitschrift für anorganische und allgemeine Chemie Bd. 641 (2015) Heft 2. - S. 464-469
doi:10.1002/zaac.201400335 ...

Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas
Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chlo ...
In: Acta Crystallographica Section B Bd. 71 (2015) . - S. 228-234
doi:10.1107/S2052520615004084 ...

2014

Noohinejad, Leila; Mondal, Swastik; Wölfel, Alexander; Ali, Sk Imran; Schönleber, Andreas; van Smaalen, Sander
Ferroelectricity of Phenazine–Chloranilic Acid at "T = 100" K
In: Journal of Chemical Crystallography Bd. 44 (2014) Heft 8. - S. 387-393
doi:10.1007/s10870-014-0527-1 ...

Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans-Christoph; Kesel, Andreas J.
N—-H⋅sO and C—-H⋅sF hydrogen bonds in the incommensurately modulated crystal structure of adama ...
In: Acta Crystallographica Section B Bd. 70 (2014) Heft 4. - S. 652-659
doi:10.1107/S2052520614007707 ...

Held, Jeanette; van Smaalen, Sander
The active site of hen egg-white lysozyme: flexibility and chemical bonding
In: Acta Crystallographica Section D Bd. 70 (2014) Heft 4. - S. 1136-1146
doi:10.1107/S1399004714001928 ...

Ali, Sk Imran; van Smaalen, Sander
Single Crystal X-ray Structure of Cu3TaSe4 and a Comparative Study of Cu3MX4 (M = V, Nb, Ta; X ...
In: Zeitschrift für anorganische und allgemeine Chemie Bd. 640 (2014) Heft 5. - S. 931-934
doi:10.1002/zaac.201300678 ...

Rösken, Liz M.; Körsten, Susanne; Fischer, Christian B.; Schönleber, Andreas; van Smaalen, Sander; Geimer, Stefan; Wehner, Stefan
Time-dependent growth of crystalline Au0-nanoparticles in cyanobacteria as self-reproducing bio ...
In: Journal of Nanoparticle Research Bd. 16 (2014) Heft 4. - S. 2370
doi:10.1007/s11051-014-2370-x ...

Noohinejad, Leila; Mondal, Swastik; Wölfel, Alexander; Ali, Sk Imran; Schönleber, Andreas; van Smaalen, Sander
Ferroelectricity of Phenazine–Chloranilic Acid at T 1/4 100 K
In: Journal of Chemical Crystallography Bd. 44 (2014) Heft 8. - S. 387-393
doi:10.1007/s10870-014-0527-1 ...

2013

Małecka, Magdalena; Mondal, Swastik; van Smaalen, Sander; Paulmann, Carsten
Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ5-benzo[e][1 ...
In: Acta Crystallographica Section B Bd. 69 (2013) Heft 6. - S. 621-628
doi:10.1107/S2052519213027267 ...

Bykov, Maxim; Zhang, Jian; Schönleber, Andreas; Wölfel, Alexander; Ali, Sk Imran; van Smaalen, Sander; Glaum, Robert; Koo, H.-J.; Whangbo, M.-H.; Reuvekamp, Patrick G.; Law, J. M.; Hoch, C.; Kremer, Reinhard K.
Spin-Peierls distortions in TiPO₄
In: Physical Review B Bd. 88 (2013) . - S. 184420
doi:10.1103/PhysRevB.88.184420 ...

Jagannatha Prathapa, Siriyara; Held, Jeanette; van Smaalen, Sander
Topological Properties of Chemical Bonds from Static and Dynamic Electron Densities
In: Zeitschrift für anorganische und allgemeine Chemie Bd. 639 (2013) Heft 11. - S. 2047-2056
doi:10.1002/zaac.201200535 ...

Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La\n(Ti,Fe)nO3n+2 (n = 5 and 6)
In: Acta Crystallographica Section B Bd. 69 (2013) Heft 2. - S. 137-144
doi:10.1107/S2052519213003126 ...

Prathapa, Siriyara Jagannatha; Mondal, Swastik; van Smaalen, Sander
Electron densities by the maximum entropy method (MEM) for various types of prior densities : a ...
In: Acta Crystallographica Section B Bd. 69 (2013) Heft 2. - S. 203-213
doi:10.1107/S2052519213004879 ...

van Smaalen, Sander; Campbell, Branton J.; Stokes, Harold T.
Equivalence of superspace groups
In: Acta Crystallographica Section A Bd. 69 (2013) Heft 1. - S. 75-90
doi:10.1107/S0108767312041657 ...

Mondal, Swastik; van Smaalen, Sander; Parakhonskiy, Gleb; Prathapa, Siriyara Jagannatha; Noohinejad, Leila; Bykova, Elena; Dubrovinskaia, Natalia; Chernyshov, Dmitry; Dubrovinsky, Leonid
Experimental evidence of orbital order in α-B₁₂ and γ-B₂₈ polymorphs of elemental boron ...
In: Physical Review B Bd. 88 (2013) . - S. 024118
doi:10.1103/PhysRevB.88.024118 ...

Bykov, Maxim; Bykova, Elena; van Smaalen, Sander; Dubrovinsky, Leonid; McCammon, Catherine; Prakapenka, Vitali B.; Liermann, Hanns-Peter
High-pressure behavior of FeOCl
In: Physical Review B Bd. 88 (2013) . - S. 014110
doi:10.1103/PhysRevB.88.014110 ...

Manzoni, A.; Daoud, Haneen; Mondal, Swastik; van Smaalen, Sander; Völkl, Rainer; Glatzel, Uwe; Wanderka, Nelia
Investigation of phases in Al23Co15Cr23Cu8Fe15Ni16 and Al8Co17Cr17Cu8Fe17Ni33 high entropy allo ...
In: Journal of Alloys and Compounds Bd. 552 (2013) . - S. 430 - 436
doi:10.1016/j.jallcom.2012.11.074 ...

Wölfel, Alexander; Lichtenberg, Frank; van Smaalen, Sander
Two-dimensional magnetic clusters in LanAnisotropic thermal expansion of Lan(Ti1-x,Fex)nO3n+2(n ...
In: Journal of Physics: Condensed Matter Bd. 25 (2013) Heft 7
doi:10.1088/0953-8984/25/7/076003 ...

2012

Davaasuren, Bambar; Dashjav, Enkhtsetseg; Kniep, Rüdiger; Kreiner, Guido; Schnelle, Walter; Akselrud, Lev; van Smaalen, Sander; Wölfel, Alexander
Dy0.64Dy5Fe2C9 : A complex carbide with a composite structure
In: Journal of Solid State Chemistry Bd. 190 (2012) . - S. 73 - 79
doi:10.1016/j.jssc.2012.02.008 ...

Palatinus, Lukas; Prathapa, Siriyara Jagannatha; van Smaalen, Sander
EDMA : a computer program for topological analysis of discrete electron densities
In: Journal of Applied Crystallography Bd. 45 (2012) Heft 3. - S. 575-580
doi:10.1107/S0021889812016068 ...

Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander
Experimental dynamic electron densities of multipole models at different temperatures
In: Acta Crystallographica Section A Bd. 68 (2012) Heft 5. - S. 568-581
doi:10.1107/S0108767312029005 ...

Zhang, Jian; Wölfel, Alexander; Li, Liang; van Smaalen, Sander; Williamson, Hailey L.; Kremer, Reinhard K.
Magnetoelastic coupling in the incommensurate antiferromagnetic phase of FeOCl
In: Physical Review B Bd. 86 (2012) . - S. 134428
doi:10.1103/PhysRevB.86.134428 ...

Magdysyuk, Oxana V.; Dinnebier, Robert E.; van Smaalen, Sander; Zykin, Mikhail A.; Kazin, Pavel E.; Jansen, Martin
Reconstructions of electron density by the Maximum Entropy Method from X-ray powder diffraction ...
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 227 (2012) Heft 6. - S. 321-333
doi:10.1524/zkri.2012.1533 ...

Ali, Sk Imran; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Zörb, Steffen; Harbrecht, Bernd
Self-Intercalation and Vacancy-Ordering in 6R-CuxTa1+yS2 (x ≈ 0.23, y ≈ 0, 0.06)
In: Zeitschrift für anorganische und allgemeine Chemie Bd. 638 (2012) Heft 15. - S. 2625-2631
doi:10.1002/zaac.201200314 ...

2011

Shahi, Rohit R.; Yadav, T. P.; Shaz, Mohammad; Srivastava, O. N.; van Smaalen, Sander
Effect of processing parameter on hydrogen storage characteristics of as quenched Ti45Zr38Ni17 ...
In: International Journal of Hydrogen Energy Bd. 36 (2011) Heft 1. - S. 592 - 599
doi:10.1016/j.ijhydene.2010.10.031 ...

Mondal, Swastik; van Smaalen, Sander; Schönleber, Andreas; Filinchuk, Yaroslav; Chernyshov, Dmitry; Simak, Sergey I.; Mikhaylushkin, Arkady S.; Abrikosov, Igor A.; Zarechnaya, Evgeniya; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Electron-Deficient and Polycenter Bonds in the High-Pressure γ-B₂₈ Phase of Boron
In: Physical Review Letters Bd. 106 (2011) . - S. 215502
doi:10.1103/PhysRevLett.106.215502 ...

Stokes, Harold T.; Campbell, Branton J.; van Smaalen, Sander
Generation of (3 + \it d)-dimensional superspace groups for describing the symmetry of modulate ...
In: Acta Crystallographica Section A Bd. 67 (2011) Heft 1. - S. 45-55
doi:10.1107/S0108767310042297 ...

Li, Liang; Wölfel, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander; Schönleber, Andreas
Modulated anharmonic ADPs are intrinsic to aperiodic crystals : a case study on incommensurate ...
In: Acta Crystallographica Section B Bd. 67 (2011) Heft 3. - S. 205-217
doi:10.1107/S0108768111013814 ...

Friese, Karen; Grzechnik, Andrzej; Petricek, Vaclav; van Smaalen, Sander; Morgenroth, Wolfgang; Schönleber, Andreas
Modulated structure of nepheline
In: Acta Crystallographica Section B Bd. 67 (2011) Heft 1. - S. 18-29
doi:10.1107/S0108768110050822 ...

Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra
A New Half-Condensed Schiff Base Compound : Highly Selective and Sensitive pH-Responsive Fluore ...
In: Organic Letters Bd. 13 (2011) Heft 17. - S. 4510-4513
doi:10.1021/ol201652r ...

Angelkort, Joachim; Senyshyn, Anatoliy; Schönleber, Andreas; van Smaalen, Sander
Temperature-dependent neutron diffraction on TiI3
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 226 (2011) Heft 8. - S. 640-645
doi:10.1524/zkri.2011.1370 ...

2010

Samy, Ali; Dinnebier, Robert E.; van Smaalen, Sander; Jansen, Martin
Maximum entropy method and charge flipping, a powerful combination to visualize the true nature ...
In: Acta Crystallographica Section B Bd. 66 (2010) Heft 2. - S. 184-195
doi:10.1107/S0108768109052616 ...

Li, Liang; Schönleber, Andreas; van Smaalen, Sander
Modulation functions of incommensurately modulated Cr₂P₂O₇ studied by the maximum entropy metho ...
In: Acta Crystallographica Section B Bd. 66 (2010) Heft 2. - S. 130-140
doi:10.1107/S0108768110003393 ...

Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs
Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate
In: Acta Crystallographica Section C Bd. 66 (2010) Heft 4. - S. m107-m109
doi:10.1107/S0108270110005755 ...

Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin
Structures of incommensurate and commensurate composite crystals RbₓMnO₂(x = 1.3711, 1.3636) ...
In: Acta Crystallographica Section B Bd. 66 (2010) Heft 1. - S. 27-33
doi:10.1107/S0108768109053312 ...

Wölfel, Alexander; Li, Liang; Shimomura, Susumu; Onodera, Hideya; van Smaalen, Sander
Commensurate charge-density wave with frustrated interchain coupling in SmNiC₂
In: Physical Review B Bd. 82 (2010) . - S. 054120
doi:10.1103/PhysRevB.82.054120 ...

Hlubek, N.; Sing, M.; Glawion, S.; Claessen, Ralph; van Smaalen, Sander; van Loosdrecht, Paul H. M.; Büchner, Bernd; Hess, C.
Heat conductivity of the spin-Peierls compounds TiOCl and TiOBr
In: Physical Review B Bd. 81 (2010) . - S. 144428
doi:10.1103/PhysRevB.81.144428 ...

Samy, Ali; Dinnebier, Robert E.; Kazin, Pavel E.; van Smaalen, Sander; Jansen, Martin
MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS
Scardi, Paolo ; Dinnebier, Robert E. (Hrsg.): Extending the reach of powder diffraction modelling by user defined macros : special topic volume with invited peer reviewed papers only
Stafa-Zurich , 2010. - S. 105-116 . - (Materials Science Forum; 651)
doi:10.4028/www.scientific.net/MSF.651.105 ...

Sagar, Dodderi M.; Fausti, D.; van Smaalen, Sander; van Loosdrecht, Paul H. M.
Raman signatures of charge ordering in K0.₃WO₃
In: Physical Review B Bd. 81 (2010) Heft 4. - S. 045124
doi:10.1103/PhysRevB.81.045124 ...

Li, Liang; Schönleber, Andreas; van Smaalen, Sander
Structure of incommensurately modulated chromium pyrophosphate studied by Maximum Entropy Metho ...
In: Journal of Physics: Conference Series Bd. 226 (2010) Heft 1. - S. 012012
doi:10.1088/1742-6596/226/1/012012 ...

Ebad-Allah, J.; Schönleber, Andreas; van Smaalen, Sander; Hanfland, Michael; Klemm, Matthias; Horn, Siegfried; Glawion, S.; Sing, M.; Claessen, Ralph; Kuntscher, Christine A.
Two pressure-induced structural phase transitions in TiOCl
In: Physical Review B Bd. 82 (2010) . - S. 134117
doi:10.1103/PhysRevB.82.134117 ...

2009

Voss, Gundula; Drechsler, Markus; Eller, Steffen; Gradzielski, Michael; Gunzelmann, Daniel; Mondal, Svastik; van Smaalen, Sander; Voertler, Claus S.
Polymeric Colorants : Statistical Copolymers of Indigo Building Blocks with Defined Structures
In: Helvetica Chimica Acta Bd. 92 (2009) Heft 12. - S. 2675-2697
doi:10.1002/hlca.200900123 ...

Angelkort, Joachim; Wölfel, Alexander; Schönleber, Andreas; van Smaalen, Sander; Kremer, Reinhard K.
Observation of strong magnetoelastic coupling in a first-order phase transition of CrOCl
In: Physical Review B Bd. 80 (2009) Heft 14. - S. 144416
doi:10.1103/PhysRevB.80.144416 ...

Netzel, Jeanette; van Smaalen, Sander
Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by t ...
In: Acta Crystallographica Section B Bd. 65 (2009) Heft 5. - S. 624-638
doi:10.1107/S0108768109026767 ...

Schönleber, Andreas; Angelkort, Joachim; van Smaalen, Sander; Palatinus, Lukas; Senyshyn, Anatoliy; Morgenroth, Wolfgang
Phase transition, crystal structure, and magnetic order in VOCl
In: Physical Review B Bd. 80 (2009) Heft 6. - S. 064426
doi:10.1103/PhysRevB.80.064426 ...

Angelkort, Joachim; Schönleber, Andreas; van Smaalen, Sander
Low- and high-temperature crystal structures of Ti।₃
In: Journal of Solid State Chemistry Bd. 182 (2009) Heft 3. - S. 525 - 531
doi:10.1016/j.jssc.2008.11.028 ...

Kuntscher, Christine A.; Ebad-Allah, J.; Pashkin, A.; Frank, S.; Klemm, Matthias; Horn, Siegfried; Schönleber, Andreas; van Smaalen, Sander; Hanfland, Michael; Glawion, S.; Sing, M.; Claessen, Ralph
Filling of the Mott–Hubbard gap in the oxyhalides TiOCl and TiOBr induced by external pressure ...
In: High Pressure Research Bd. 29 (2009) Heft 4. - S. 509-513
doi:10.1080/08957950903386334 ...
XLVIIth European High Pressure Research Group (EHPRG 47) Meeting, Paris, France

van Smaalen, Sander; Netzel, Jeanette
The maximum entropy method in accurate charge-density studies
In: Physica Scripta Bd. 79 (2009) Heft 4. - S. 048304
doi:10.1088/0031-8949/79/04/048304 ...

Scherm, Florian; Völkl, Rainer; van Smaalen, Sander; Mondal, Swastik; Plamondon, Philippe; L'Esperance, Gilles; Bechmann, Florian; Glatzel, Uwe
Microstructural characterization of interpenetrating light weight metal matrix composites
In: Materials Science and Engineering A Bd. 518 (2009) Heft 1-2. - S. 118-123
doi:10.1016/j.msea.2009.04.010 ...

van Smaalen, Sander; Li, Liang
Modulation functions of aperiodic crystals by the maximum entropy method in superspace
In: Physica Scripta Bd. 79 (2009) Heft 4. - S. 048305
doi:10.1088/0031-8949/79/04/048305 ...

Zarechnaya, Evgeniya; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Filinchuk, Yaroslav; Chernyshov, Dmitry; Dmitriev, Vladimir; Miyajima, Nobuyoshi; El Goresy, Ahmed; Braun, Hans F.; van Smaalen, Sander; Kantor, Innokenty; Kantor, Anastasia; Prakapenka, Vitali B.; Hanfland, Michael; Mikhaylushkin, Arkady S.; Abrikosov, Igor A.; Simak, Sergey I.
Superhard Semiconducting Optically Transparent High Pressure Phase of Boron
In: Physical Review Letters Bd. 102 (2009) Heft 18. - S. 185501
doi:10.1103/PhysRevLett.102.185501 ...

2008

Castillo-Martiínez, E.; Schönleber, Andreas; van Smaalen, Sander; Arévalo-López, A. M.; Alario-Franco, M. A.
Structure and microstructure of the high pressure synthesised misfit layer compound [Sr₂O₂][CrO ...
In: Journal of Solid State Chemistry Bd. 181 (2008) Heft 8. - S. 1840-1847
doi:10.1016/j.jssc.2008.03.033 ...

Kuntscher, Christine A.; Pashkin, A.; Hoffmann, H.; Frank, S.; Klemm, Matthias; Horn, Siegfried; Schönleber, Andreas; van Smaalen, Sander; Hanfland, Michael; Glawion, S.; Sing, M.; Claessen, Ralph
Mott-Hubbard gap closure and structural phase transition in the oxyhalides TiOBr and TiOCl unde ...
In: Physical Review B Bd. 78 (2008) Heft 3. - S. 035106
doi:10.1103/PhysRevB.78.035106 ...

Schönleber, Andreas; Shcheka, Galina; van Smaalen, Sander
Normal-to-incommensurate phase transition in the spin-Peierls compound TiOCl : An x-ray diffrac ...
In: Physical Review B Bd. 77 (2008) Heft 9. - S. 094117
doi:10.1103/PhysRevB.77.094117 ...

Sagar, Dodderi M.; Fausti, D.; Yue, S.; Kuntscher, Christine A.; van Smaalen, Sander; van Loosdrecht, Paul H. M.
A Raman study of the charge-density-wave state in A0.₃MoO₃ (A = K, Rb)
In: New Journal of Physics Bd. 10 (2008) Heft 2. - S. 023043
doi:10.1088/1367-2630/10/2/023043 ...

Netzel, Jeanette; Hofmann, Andreas; van Smaalen, Sander
Accurate charge density of small α-glycine by the maximum entropy method
In: CrystEngComm Bd. 10 (2008) Heft 3. - S. 335-343
doi:10.1039/B711064B ...

2007

Kuntscher, Christine A.; Frank, S.; Pashkin, A.; Hoffmann, H.; Schönleber, Andreas; van Smaalen, Sander; Hanfland, Michael; Glawion, S.; Klemm, Matthias; Sing, M.; Horn, Siegfried; Claessen, Ralph
Pressure-induced metallization and structural phase transition of the Mott-Hubbard insulator Ti ...
In: Physical Review B Bd. 76 (2007) Heft 24. - S. 241101
doi:10.1103/PhysRevB.76.241101 ...

Macovez, Roberto; Luzon, Javier; Schiessling, Joachim; Sadoc, Aymeric; Kjeldgaard, Lisbeth; van Smaalen, Sander; Fausti, Daniele; van Loosdrecht, Paul H. M.; Broer, Ria; Rudolf, Petra
Hybridization, superexchange, and competing magnetoelastic interactions in TiOBr
In: Physical Review B Bd. 76 (2007) Heft 20. - S. 205111
doi:10.1103/PhysRevB.76.205111 ...

McMahon, M. I.; Degtyareva, O.; Nelmes, R. J-; van Smaalen, Sander; Palatinus, Lukas
Incommensurate modulations of Bi-III and Sb-II
In: Physical Review B Bd. 75 (2007) Heft 18. - S. 184114
doi:10.1103/PhysRevB.75.184114 ...

Hofmann, A.; Kalinowski, R.; Luger, P.; van Smaalen, Sander
Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): in ...
In: Acta Crystallographica Section B Bd. 63 (2007) . - S. 633-643
doi:10.1107/S0108768107029655 ...

Hofmann, Andreas; Netzel, Jeanette; van Smaalen, Sander
Accurate charge density of trialanine : a comparison of the multipole formalism and the maximum ...
In: Acta Crystallographica Section B Bd. 63 (2007) Heft 2. - S. 285-295
doi:10.1107/S0108768106052153 ...

Zanazzi, P. F.; Comodi, Paola; Nazzareni, S.; Rotiroti, Nicola; van Smaalen, Sander
Behavior of 10-Å phase at low temperatures
In: Physics and Chemistry of Minerals Bd. 34 (2007) Heft 1. - S. 23-29
doi:10.1007/s00269-006-0123-9 ...

Sagar, Dodderi M.; Tsvetkov, Artem A.; Fausti, Daniele; van Smaalen, Sander; van Loosdrecht, Paul H. M.
Coherent amplitudon generation in blue bronze through ultrafast interband quasi-particle decay
In: Journal of Physics: Condensed Matter Bd. 19 (2007) Heft 34. - S. 346208
doi:10.1088/0953-8984/19/34/346208 ...

Nestola, Fabrizio; Rotiroti, Nicola; Bruno, M.; Tribaudino, M.; van Smaalen, Sander; Ohashi, H.; Redhammer, G.J.
Low-temperature behavior of NaGaSi2O6
In: American Mineralogist Bd. 92 (2007) Heft 4. - S. 560-569
doi:10.2138/am.2007.2304 ...

Hoinkis, Markus; Sing, M.; Glawion, S.; Pisani, L.; Valentí, R.; van Smaalen, Sander; Klemm, Matthias; Horn, Siegfried; Claessen, Ralph
One-dimensional versus two-dimensional correlation effects in the oxyhalides TiOCl and TiOBr
In: Physical Review B Bd. 75 (2007) Heft 24. - S. 245124
doi:10.1103/PhysRevB.75.245124 ...

Angelkort, Joachim; van Smaalen, Sander; Hauber, Sven Oliver; Niemeyer, Mark
Phase Transition and Crystal Structure of the Monomeric Europium(II) Thiolate Eu(SC36H49)2
In: Zeitschrift für anorganische und allgemeine Chemie Bd. 633 (2007) Heft 7. - S. 1031-1035
doi:10.1002/zaac.200600398 ...

Tamazyan, Rafael; van Smaalen, Sander
Quantitative description of the tilt of distorted octahedra in \it ABX\sb 3 structures
In: Acta Crystallographica Section B Bd. 63 (2007) Heft 2. - S. 190-200
doi:10.1107/S010876810605244X ...

Arulraj, Anthony; Dinnebier, Robert E.; Carlson, Stefan; Hanfland, Michael; van Smaalen, Sander
Strain effects in perovskite manganites
In: Progress in Solid State Chemistry Bd. 35 (2007) Heft 2–4. - S. 367 - 377
doi:10.1016/j.progsolidstchem.2007.01.034 ...

van Smaalen, Sander; Dinnebier, Robert E.; Sofin, Mikhail; Jansen, Martin
Structures of incommensurate and commensurate composite crystals NaₓCuO₂ (x = 1.58, 1.6, 1.62) ...
In: Acta Crystallographica Section B Bd. 63 (2007) Heft 1. - S. 17-25
doi:10.1107/S0108768106039462 ...

Guevarra, Jonathan; Schönleber, Andreas; van Smaalen, Sander; Lichtenberg, Frank
Superspace description of the crystal structures of Ca\sb \it n(Nb,Ti)\sb \it nO\sb 3\it n+2 (\ ...
In: Acta Crystallographica Section B Bd. 63 (2007) Heft 2. - S. 183-189
doi:10.1107/S0108768107002340 ...

Fausti, Daniele; Lummen, Tom T. A.; Angelescu, Cosmina; Macovez, Roberto; Luzon, Javier; Broer, Ria; Rudolf, Petra; van Loosdrecht, Paul H. M.; Tristan, Natalia; Büchner, Bernd; van Smaalen, Sander; Möller, Angela; Meyer, Gerd; Taetz, Timo
Symmetry disquisition on the TiOX phase diagram (X=Br,Cl)
In: Physical Review B Bd. 75 (2007) Heft 24. - S. 245114
doi:10.1103/PhysRevB.75.245114 ...

2006

Zanazzi, P. F.; Comodi, Paola; Nazzareni, S.; Rotiroti, Nicola; van Smaalen, Sander
Behavior of 10-Å phase at low temperatures
In: Physics and Chemistry of Minerals Bd. 34 (2006) Heft 1. - S. 23-29
doi:10.1007/s00269-006-0123-9 ...

Rotiroti, Nicola; van Smaalen, Sander; Tamazyan, Rafael; Mukovskii, Ya.
Structural anomalies at the ferromagnetic transition and precursor effects in the vicinity of t ...
In: Physical Review B Bd. 74 (2006) . - S. 104423
doi:10.1103/PhysRevB.74.104423 ...

Schönleber, Andreas; van Smaalen, Sander; Palatinus, Lukas
Structure of the incommensurate phase of the quantum magnet TiOCl
In: Physical Review B Bd. 73 (2006) . - S. 214410
doi:10.1103/PhysRevB.73.214410 ...

Tamazyan, Rafael; Rotiroti, Nicola; van Smaalen, Sander; Mukovskii, Yakov; Arsenov, A.
Twinning and structure of Eu0.6Sr0.4MnO3
In: Acta Crystallographica Section C Bd. 62 (2006) Heft 1. - S. 3-5
doi:10.1107/S0108270105036644 ...

2005

Guevarra, Jonathan; van Smaalen, Sander; Rotiroti, Nicola; Paulmann, Carsten; Lichtenberg, Frank
Crystal structure of Ca5Nb5O17
In: Journal of Solid State Chemistry Bd. 178 (2005) Heft 9. - S. 2934 - 2941
doi:10.1016/j.jssc.2005.07.007 ...

Dinnebier, Robert E.; van Smaalen, Sander; Olbrich, F.; Carlson, Stefan
Effect of crystal packing on the structures of polymeric metallocenes
In: Inorganic Chemistry Bd. 44 (2005) Heft 4. - S. 964-968
doi:10.1021/ic049214y ...

van Smaalen, Sander; Dinnebier, Robert E.; Hanson, Jonathan; Gollwitzer, Jan; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf
High-temperature behavior of vanadyl pyrophosphate (VO)2P2O7
In: Journal of Solid State Chemistry Bd. 178 (2005) Heft 7. - S. 2225 - 2230
doi:10.1016/j.jssc.2005.04.034 ...

van Smaalen, Sander; Palatinus, Lukas; Schönleber, Andreas
Incommensurate interactions and nonconventional spin-Peierls transition in TiOBr
In: Physical Review B Bd. 72 (2005) Heft 2. - S. 020105
doi:10.1103/PhysRevB.72.020105 ...

Rotiroti, Nicola; Tamazyan, Rafael; van Smaalen, Sander; Mukovskii, Yakov
Monoclinic La1-xBaxMnO3 (x = 0.185) at 160 K
In: Acta Crystallographica Section C Bd. 61 (2005) Heft 9. - S. i83-i85
doi:10.1107/S0108270105017518 ...

van Smaalen, Sander
The Peierls transition in low-dimensional electronic crystals
In: Acta Crystallographica Section A Bd. 61 (2005) Heft 1. - S. 51-61
doi:10.1107/S0108767304025437 ...

Guevarra, Jonathan; van Smaalen, Sander; Daniels, Peter; Rotiroti, Nicola; Lichtenberg, Frank
Perovskite-related Ca(Nb,Ti)O 3.33
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 220 (2005) Heft 1. - S. 19-24
doi:10.1524/zkri.220.1.19.58885 ...

Palatinus, Lukas; van Smaalen, Sander
The prior-derived F constraints in the maximum-entropy method
In: Acta Crystallographica Section A Bd. 61 (2005) Heft 3. - S. 363-372
doi:10.1107/S0108767305009918 ...

Arulraj, Anthony; Dinnebier, Robert E.; Carlson, Stefan; Hanfland, Michael; van Smaalen, Sander
Shear Strain in Nd0.5 Ca0.5 MnO₃ at High Pressures
In: Physical Review Letters Bd. 94 (2005) Heft 16. - S. 165504
doi:10.1103/PhysRevLett.94.165504 ...

Shaz, Mohammad; van Smaalen, Sander; Palatinus, Lukas; Hoinkis, Markus; Klemm, Matthias; Horn, Siegfried; Claessen, Ralph
Spin-Peierls transition in TiOCl
In: Physical Review B Bd. 71 (2005) Heft 10. - S. 100405
doi:10.1103/PhysRevB.71.100405 ...

Palatinus, Lukas; Schönleber, Andreas; van Smaalen, Sander
The twofold superstructure of titanium(III) oxybromide at T = 17.5 K
In: Acta Crystallographica Section C Bd. 61 (2005) Heft 5. - S. i47-i48
doi:10.1107/S010827010500867X ...

2004

Grzechnik, Andrzej; Dmitriev, Vladimir; Weber, Hans-Peter; Gesland, Jean-Yves; van Smaalen, Sander
The crystal structures of pressure-induced LiSrAlF6-II and LiCaAlF6-II
In: Journal of Physics: Condensed Matter Bd. 16 (2004) Heft 7. - S. 1033-1043
doi:10.1088/0953-8984/16/7/003 ...

van Smaalen, Sander
An elementary introduction to superspace crystallography
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 219 (2004) . - S. 681-691
doi:10.1524/zkri.219.11.681.52429 ...

Palatinus, Lukas; van Smaalen, Sander
The Ferroelectric Phase Transition and Modulated Valence Electrons in the Incommensurate Phase ...
In: Ferroelectrics Bd. 305 (2004) Heft 1. - S. 49-52
doi:10.1080/00150190490462388 ...

Starešinić, Damir; Hosseini, Khalil; Brütting, Wolfgang; Biljaković, K.; Riedel, E.; van Smaalen, Sander
Glass transition and secondary relaxation in the charge-density-wave system K0.3MoO3
In: Physical Review B Bd. 69 (2004) Heft 11. - S. 113102
doi:10.1103/PhysRevB.69.113102 ...

Palatinus, Lukas; van Smaalen, Sander
Incommensurate modulations made visible by the Maximum Entropy Method in superspace
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 219 (2004) Heft 11. - S. 719-729
doi:10.1524/zkri.219.11.719.52435 ...

Coronado, Eugenio; Galán-Mascarós, José R.; Gómez-García, Carlos J.; Martínez-Ferrero, Eugenia; van Smaalen, Sander
Incommensurate nature of the multilayered molecular ferromagnetic metals based on bis(ethylened ...
In: Inorganic Chemistry Bd. 43 (2004) Heft 16. - S. 4808-4810
doi:10.1021/ic049424a ...

Grzechnik, Andrzej; Dmitriev, Vladimir; Weber, Hans-Peter; Gesland, Jean-Yves; van Smaalen, Sander
LiSrAlF6 with the LiBaCrF6-type structure
In: Journal of Physics: Condensed Matter Bd. 16 (2004) Heft 18. - S. 3005-3013
doi:10.1088/0953-8984/16/18/001 ...

van Smaalen, Sander; Shaz, Mohammad; Palatinus, Lukas; Daniels, Peter; Galli, Federica; Nieuwenhuys, Gerard J.; Mydosh, J. A.
Multiple charge-density waves in R₅Ir₄Si₁₀ (R = Ho, Er, Tm, and Lu)
In: Physical Review B Bd. 69 (2004) Heft 1. - S. 014103
doi:10.1103/PhysRevB.69.014103 ...

Amami, Mongi; van Smaalen, Sander; Ben Salah, Abdelhamid; Helluy, Xavier; Sebald, Angelika
Structural investigation of trimethylammonium tetrachloromercurate
In: Journal of Solid State Chemistry Bd. 177 (2004) Heft 8. - S. 2961 - 2970
doi:10.1016/j.jssc.2004.05.012 ...

Palatinus, Lukas; Amami, Mongi; van Smaalen, Sander
Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and ...
In: Acta Crystallographica Section B Bd. 60 (2004) Heft 2. - S. 127-137
doi:10.1107/S0108768104000874 ...

2003

van Smaalen, Sander
Comment on "Periodic hole structure in a spin-chain ladder material Sr₁₄Cu₂₄O₄₁"
In: Physical Review B Bd. 67 (2003) Heft 2. - S. 026101
doi:10.1103/PhysRevB.67.026101 ...

Immirzi, Attilio; Tedesco, Consiglia; Valdo Meille, Stefano; Famulari, Antonino; van Smaalen, Sander
Crystal Structure of Form I of Syndiotactic 1,2-Poly(4-methyl-1,3-pentadiene)
In: Macromolecules Bd. 36 (2003) Heft 10. - S. 3666-3672
doi:10.1021/ma0257853 ...

Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander
High-pressure phase transitions in tetrakis(trimethylsilyl)silane SiSi(CH3)34
In: High Pressure Research Bd. 23 (2003) Heft 4. - S. 425-437
doi:10.1080/0895795031000114377 ...

Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander
Influence of the molecular structures on the high-pressure and low-temperature phase transition ...
In: Acta Crystallographica Section B Bd. 59 (2003) Heft 1. - S. 60-71
doi:10.1107/S0108768102021791 ...

Bovet, M.; van Smaalen, Sander; Berger, H.; Gaal, R.; Forró, L.; Schlapbach, L.; Aebi, P.
Interplane coupling in the quasi-two-dimensional 1T-TaS₂
In: Physical Review B Bd. 67 (2003) Heft 12. - S. 125105
doi:10.1103/PhysRevB.67.125105 ...

van Smaalen, Sander; Palatinus, Lukas; Schneider, Martin
The maximum-entropy method in superspace
In: Acta Crystallographica Section A Bd. 59 (2003) Heft 5. - S. 459-469
doi:10.1107/S010876730301434X ...

Daniels, Peter; Lichtenberg, Frank; van Smaalen, Sander
Perovskite-related LaTiO3.41
In: Acta Crystallographica Section C Bd. 59 (2003) . - S. i15-i17
doi:10.1107/S0108270102023612 ...

Grzechnik, Andrzej; Crichton, Wilson A.; Hanfland, Michael; van Smaalen, Sander
Scheelite CaWO 4 at high pressures
In: Journal of Physics: Condensed Matter Bd. 15 (2003) Heft 43. - S. 7261-7270
doi:10.1088/0953-8984/15/43/010 ...

Jordan, Nicola A.; Battle, Peter D.; van Smaalen, Sander; Wunschel, Markus
Structural Chemistry and Magnetic Properties of Incommensurate Sr1+x(CoxMn1-x)O3
In: Journal of the American Chemical Society Bd. 15 (2003) Heft 22. - S. 4262-4267
doi:10.1021/cm031096 ...

Tamazyan, Rafael; van Smaalen, Sander; Vasilyeva, Inga Grigorevna; Arnold, Heinrich
Two-dimensionally modulated structure of the rare-earth polysulfide GdS 2-x (x = 0.18 ≃ 13/72) ...
In: Acta Crystallographica Section B Bd. 59 (2003) Heft 6. - S. 709-719
doi:10.1107/S0108768103022213 ...

2002

Pilz, Katrin; Estermann, Michael; van Smaalen, Sander
Automatic indexing of area-detector data of periodic and aperiodic crystals
In: Journal of Applied Crystallography Bd. 35 (2002) Heft 2. - S. 253-260
doi:10.1107/S0021889802001838 ...

Amami, Mongi; van Smaalen, Sander; Ben Salah, Abdelhamid
Bis(trimethylammonium) tetrachloromercurate(II) at 343K
In: Acta Crystallographica Section E Bd. 58 (2002) Heft 8. - S. m416-m419
doi:10.1107/S160053680201214X ...

van Smaalen, Sander; Daniels, Peter; Galli, Federica; Feyerherm, R.; Dudzik, D.; Nieuwenhuys, Gerard J.; Mydosh, J. A.
Charge-density waves in Er₅Ir₄Si₁₀ type compounds
In: Journal de Physique 4 Bd. 12 (2002) Heft 9. - S. 347-350
doi:10.1051/jp4:20020434 ...

Galli, Federica; Feyerherm, R.; Hendrikx, R. W. A.; Dudzik, E.; Nieuwenhuys, Gerard J.; Ramakrishnan, S.; Brown, S. D.; van Smaalen, Sander; Mydosh, J. A.
Coexistence of charge density wave and antiferromagnetism in Er5Ir4Si10
In: Journal of Physics: Condensed Matter Bd. 14 (2002) Heft 20. - S. 5067-5075
doi:10.1088/0953-8984/14/20/302 ...

Dusek, Michal; Lüdecke, Jens; van Smaalen, Sander
Crystal structure of monophosphate tungsten bronze K1.33P4W8O32 at 110 K
In: Journal of Materials Chemistry B Bd. 12 (2002) Heft 5. - S. 1408-1414
doi:10.1039/B109982P ...

Palatinus, Lukas; van Smaalen, Sander
The generalized F constraint in the maximum-entropy method : a study on simulated data
In: Acta Crystallographica Section A Bd. 58 (2002) Heft 6. - S. 559-567
doi:10.1107/S0108767302015556 ...

Pilz, Katrin; Jobst, Andreas; Lam, E.; Lüdecke, Jens; van Smaalen, Sander; Bao, Jianren; Bietsch, W.; Schwoerer, Markus
The glass transition in twinned ((phenyl)4As)2C60Cl crystals
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 217 (2002) Heft 2. - S. 78-82
doi:10.1524/zkri.217.2.78.20629 ...

Daniels, Peter; Tamazyan, Rafael; Kuntscher, Christine A.; Dressel, Martin; Lichtenberg, Frank; van Smaalen, Sander
The incommensurate modulation of the structure of Sr2Nb2O7
In: Acta Crystallographica Section B Bd. 58 (2002) Heft 6. - S. 970-976
doi:10.1107/S010876810201741X ...

Jobst, Andreas; van Smaalen, Sander
Intersubsystem chemical bonds in the misfit layer compounds (LaS)1.13TaS2 and (LaS)1.14NbS2
In: Acta Crystallographica Section B Bd. 58 (2002) Heft 2. - S. 179-190
doi:10.1107/S0108768101019280 ...

Tamazyan, Rafael; van Smaalen, Sander; Arsenov, A.; Mukovskii, Yakov
Monoclinic structure of La1-xSrxMnzO₃ (x=0.212,z=0.958)
In: Physical Review B Bd. 66 (2002) Heft 22. - S. 224111
doi:10.1103/PhysRevB.66.224111 ...

van Smaalen, Sander; Daniels, Peter; Palatinus, Lukas; Kremer, Reinhard K.
Orthorhombic versus monoclinic symmetry of the charge-ordered state of NaV₂O₅
In: Physical Review B Bd. 65 (2002) Heft 6. - S. 060101
doi:10.1103/PhysRevB.65.060101 ...

Amami, Mongi; van Smaalen, Sander; Palatinus, Lukas; Ben Salah, Abdelhamid; Helluy, Xavier; Sebald, Angelika
Structural investigation of the phase transitions of [N(CH3)4]2HgCl4
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 217 (2002) Heft 10. - S. 532-541
doi:10.1524/zkri.217.10.532.20790 ...

Dinnebier, Robert E.; Bernatowicz, Piotr; Helluy, Xavier; Sebald, Angelika; Wunschel, Markus; Fitch, Andy; van Smaalen, Sander
Structure of compounds E(SnMe3)4 (E = Si, Ge) as seen by high-resolution X-ray powder diffracti ...
In: Acta Crystallographica Section B Bd. 58 (2002) Heft 1. - S. 52-61
doi:10.1107/S0108768101016688 ...

Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf
Synchrotron-radiation study of the two-leg spin-ladder (VO)2P2O7 at 120 K
In: Acta Crystallographica Section C Bd. 58 (2002) Heft 1. - S. i9-i13
doi:10.1107/S0108270101017553 ...

2001

Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander
Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x < 1) channel compounds
In: Acta Crystallographica Section B Bd. 57 (2001) Heft 5. - S. 665-672
doi:10.1107/S0108768101011685 ...

Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander
Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X- ...
In: Acta Crystallographica Section B Bd. 57 (2001) Heft 5. - S. 673-679
doi:10.1107/S010876810101237X ...

Wiegers, Gerrit A.; de Boer, Jan L.; Meetsma, A.; van Smaalen, Sander
Domain structure and refinement of the triclinic superstructure of 1T-TaSe2 by single crystal X ...
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 216 (2001) Heft 1. - S. 45-50
doi:10.1524/zkri.216.1.45.18999 ...

Wunschel, Markus; Dinnebier, Robert E.; van Smaalen, Sander
Long term stability of a modern powder diffractometer
In: Powder Diffraction Bd. 16 (2001) Heft 3. - S. 149-152
doi:10.1154/1.1313242 ...

Palatinus, Lukas; van Smaalen, Sander
Maximum Entropy Method in study of electron densities
In: Materials Structure in Chemistry, Biology, Physics and Technology Bd. 8 (2001) Heft 1a. - S. 57-59
http://www.xray.cz/ms/bul2001-1a/kolok-students.pd ...

Dertinger, Armin; Dinnebier, Robert E.; Kreyssig, A.; Stephens, Peter W.; Pagola, Silvina; Loewenhaupt, M.; van Smaalen, Sander; Braun, Hans F.
Microscopic changes in HoNi₂B₂C due to thermal treatment and its effect on superconductivity ...
In: Physical Review B Bd. 63 (2001) Heft 18. - S. 184518
doi:10.1103/PhysRevB.63.184518 ...

Dusek, Michal; Wunschel, Markus; Dinnebier, Robert E.; van Smaalen, Sander
Refinement of modulated structures against X-ray powder diffraction data with JANA2000
In: Journal of Applied Crystallography Bd. 34 (2001) Heft 3. - S. 398-404
doi:10.1107/S0021889801003302 ...

Bagautdinov, Bagautdin; Jobst, Andreas; Lüdecke, Jens; van Smaalen, Sander
Structural basis for the phase transitions of Cs2HgCl4
In: Acta Crystallographica Section B Bd. 57 (2001) Heft 3. - S. 231-236
doi:10.1107/S0108768100020322 ...

van Smaalen, Sander; Lam, Erwin J.; Lüdecke, Jens
Structure of the charge-density wave in (TaSe4)2I
In: Journal of Physics: Condensed Matter Bd. 13 (2001) Heft 44. - S. 9923-9936
doi:10.1088/0953-8984/13/44/308 ...

Lüdecke, Jens; Jobst, Andreas; Geupel, Sandra; van Smaalen, Sander
Structure of the two-dimensional incommensurate charge-density wave in (PO₂)₄(WO₃)₈ at 20 K ...
In: Physical Review B Bd. 64 (2001) Heft 10. - S. 104105
doi:10.1103/PhysRevB.64.104105 ...

2000

Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander
Bulk modulus and high-pressure crystal structures of tetrakis(trimethylsilyl)methane C[Si(CH3)3 ...
In: Acta Crystallographica Section B Bd. 56 (2000) Heft 2. - S. 310-316
doi:10.1107/S0108768199014044 ...

Lüdecke, Jens; Jobst, Andreas; van Smaalen, Sander
The CDW structure of the m=4 phosphate bronze (PO2)4(WO3)2m
In: Europhysics Letters Bd. 49 (2000) Heft 3. - S. 357-361
doi:10.1209/epl/i2000-00156-5 ...

Galli, Federica; Ramakrishnan, S.; Taniguchi, T.; Nieuwenhuys, Gerard J.; Mydosh, J. A.; Geupel, Sandra; Lüdecke, Jens; van Smaalen, Sander
Charge-Density-Wave Transitions in the Local-Moment Magnet Er₅Ir₄Si₁₀
In: Physical Review Letters Bd. 85 (2000) Heft 1. - S. 158-161
doi:10.1103/PhysRevLett.85.158 ...

van Smaalen, Sander; Dinnebier, Robert E.; Milletich, Ronald; Kunz, Martin; Holleman, Iwan; von Helden, Gert; Meijer, Gerard
Compressibility of CO intercalated C60 crystals
In: Chemical Physics Letters Bd. 319 (2000) Heft 3–4. - S. 283 - 286
doi:10.1016/S0009-2614(00)00096-8 ...

Immirzi, Attilio; Tedesco, Consiglia; Venditto, Vincenzo; Recupero, Domenico; van Smaalen, Sander
Crystalline Structure of Isotactic Poly(vinylcyclobutane) from Fiber Diffraction Spectra
In: Macromolecules Bd. 33 (2000) Heft 1. - S. 125-129
doi:10.1021/ma990296x ...

Schneider, Martin; van Smaalen, Sander
Discrete Fourier transform in arbitrary dimensions by a generalized Beever—Lipson algorithm
In: Acta Crystallographica Section A Bd. 56 (2000) Heft 3. - S. 248-251
doi:10.1107/S0108767300000532 ...

Dinnebier, Robert E.; Schweiger, Manuela; Bildstein, Benno; Shankland, Kenneth; David, William I. F.; Jobst, Andreas; van Smaalen, Sander
The disordered structure of tetraferrocenyl-3-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated anneali ...
In: Journal of Applied Crystallography Bd. 33 (2000) Heft 5. - S. 1199-1207
doi:10.1107/S0021889800007470 ...

Lüdecke, Jens; Schneider, Martin; van Smaalen, Sander
Independent q and 2q Distortions in the Incommensurately Modulated Low-Temperature Structure of ...
In: Journal of Solid State Chemistry Bd. 153 (2000) Heft 1. - S. 152-157
10.1006/jssc.2000.8766 ...

Lüdecke, Jens; Riedl, Edmund; Dierl, Mathias; Hosseini, Khalil; van Smaalen, Sander
Influence of niobium on the charge-density-wave transition of Ni(Ta1-xNbx)₂Se₇
In: Physical Review B Bd. 62 (2000) Heft 11. - S. 7057-7062
doi:10.1103/PhysRevB.62.7057 ...

Bietsch, W.; Bao, Jianren; Lüdecke, Jens; van Smaalen, Sander
Jahn–Teller distortion and merohedral disorder of C60−· as observed by ESR
In: Chemical Physics Letters Bd. 324 (2000) Heft 1–3. - S. 37 - 42
doi:10.1016/S0009-2614(00)00621-7 ...

van Smaalen, Sander; Lüdecke, Jens
The valence states of vanadium in the low-temperature superstructure of NaV₂O₅
In: Europhysics Letters Bd. 49 (2000) Heft 2. - S. 250-254
doi:10.1209/epl/i2000-00141-0 ...

1999

Lüdecke, Jens; Jobst, Andreas; van Smaalen, Sander; Morré, Eckhart; Geibel, Christoph; Krane, Hans-Georg
Acentric Low-Temperature Superstructure of NaV₂O₅
In: Physical Review Letters Bd. 82 (1999) . - S. 3633-3636
doi:10.1103/PhysRevLett.82.3633 ...

Schneider, Martin; van Smaalen, Sander
Applications of the Maximum Entropy Method in Crystallography
Maximum Entropy and Bayesian Methods Garching, Germany 1998 : Proceedings of the 18th International Workshop on Maximum Entropy and Bayesian Methods of Statistical Analysis
Dordrecht : Springer Netherlands, 1999. - S. 335-340 . - (Fundamental Theories of Physics; 105)
doi:10.1007/978-94-011-4710-1_33 ...

van Smaalen, Sander
Atomic valences in aperiodic crystals studied by the bond valence method
Computational Studies of New Materials
Singapore ; New Jersey ; London ; Hong Kong : World Scientific, 1999. - S. 273-294
doi:10.1142/9789812816658_0010 ...

Lüdecke, Jens; van Smaalen, Sander; Spijkerman, Albert; de Boer, Jan L.; Wiegers, Gerrit A.
Commensurately modulated structure of 4Hb-TaSe₂ determined by x-ray crystal-structure refinemen ...
In: Physical Review B Bd. 59 (1999) . - S. 6063-6071
doi:10.1103/PhysRevB.59.6063 ...

Hoffmann, Bettina; Milius, Wolfgang; Voss, Gundula; Wunschel, Markus; van Smaalen, Sander; Diele, Siegmar; Platz, Gerhard
Crystal structures and thermotropic properties of alkyl α-d-glucopyranosides and their hydrates ...
In: Carbohydrate Research Bd. 323 (1999) Heft 1–4. - S. 192 - 201
doi:10.1016/S0008-6215(99)00264-5 ...

Dinnebier, Robert E.; Schneider, Martin; van Smaalen, Sander; Olbrich, Falk; Behrens, Ulrich
Disorder determined by high-resolution powder diffraction : structure of pentamethylcyclopentad ...
In: Acta Crystallographica Section B Bd. 55 (1999) . - S. 35-44
doi:10.1107/S0108768198007009 ...

Hosseini, Khalil; Brütting, Wolfgang; Schwoerer, Markus; Riedel, E.; van Smaalen, Sander; Biljaković, K.; Starešinić, Damir
Glass-like behavior in the CDW state of the quasi-one-dimensional conductor K0.3MoO3
In: Journal de Physique 4 Bd. 9 (1999) Heft PR10. - S. Pr10-41
doi:10.1051/jp4:19991009 ...

Bagautdinov, Bagautdin; Pilz, Katrin; Lüdecke, Jens; van Smaalen, Sander
Modulated structures of Cs₂HgCl₄ : the 5a superstructure at 185 K and the 3c superstructure at ...
In: Acta Crystallographica Section B Bd. 55 (1999) Heft 6. - S. 886-895
doi:10.1107/S0108768199008071 ...

van Smaalen, Sander
The morphology of quasicrystals, incommensurate composite crystals and modulated crystals deriv ...
In: Acta Crystallographica Section A Bd. 55 (1999) . - S. 401-412
doi:10.1107/S0108767398010368 ...

Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order—disorder phenomena determined by high-resolution powder diffraction : the structures of t ...
In: Acta Crystallographica Section B Bd. 55 (1999) Heft 6. - S. 1014-1029
doi:10.1107/S0108768199006126 ...

van Smaalen, Sander
Structural aspects of spin-chain and spin-ladder oxides
In: Zeitschrift für Kristallographie : Crystalline Materials Bd. 214 (1999) Heft 12. - S. 786-802
doi:10.1524/zkri.1999.214.12.786 ...

van Smaalen, Sander; Lüdecke, Jens
Superspace approach to the superstructures of CDW compounds and low-dimensional magnets
In: Journal de Physique 4 Bd. 9 (1999) Heft PR10. - S. Pr10-371
doi:10.1051/jp4:19991099 ...

1998

van Smaalen, Sander; Lamfers, Henk-Jan; de Boer, Jan L.
Diffuse scattering and order in quasi-one-dimensional molecular crystals
In: Phase Transitions Bd. 67 (1998) Heft 1. - S. 277-294
doi:10.1080/01411599808219197 ...

Bagautdinov, Bagautdin; Lüdecke, Jens; Schneider, Martin; van Smaalen, Sander
Disorder in the Crystal Structure of Cs₂HgCl₄ studied by the Maximum Entropy Method
In: Acta Crystallographica Section B Bd. 54 (1998) Heft 5. - S. 626-634
doi:10.1107/S010876819800233X ...

Katzke, H.; Czank, M.; Depmeier, Wulf; van Smaalen, Sander
An Electronmicroscopic Study of the Incommensurately Modulated Structure of ε-LiₓV₂O₅
Aperiodic '97 : proceedings of the International Conference on Aperiodic Crystals
Singapore : World Scientific, 1998. - S. 341-345

van Smaalen, Sander
Morphology of Aperiodic Crystals
Aperiodic '97 : proceedings of the International Conference on Aperiodic Crystals
Singapore : World Scientific, 1998. - S. 487-491

van Smaalen, Sander; Dinnebier, Robert E.; Schnelle, W.; Holleman, Iwan; von Helden, Gert; Meijer, Gerard
Phase transitions of CO-intercalated C 60 crystals
In: Europhysics Letters Bd. 43 (1998) Heft 3. - S. 302-307
doi:10.1209/epl/i1998-00356-y ...

van Smaalen, Sander; Dinnebier, Robert E.; Holleman, Iwan; von Helden, Gert; Meijer, Gerard
Rotational order in CO-intercalated C₆₀ crystals
In: Physical Review B Bd. 57 (1998) . - S. 6321-6324
doi:10.1103/PhysRevB.57.6321 ...

1997

Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander; Stephens, Peter W.
Ab Initio Structure Determination of Two Polymorphs of Cyclopentadienylrubidium in a Single Pow ...
In: Acta Crystallographica Section B Bd. 53 (1997) Heft 1. - S. 153-158
doi:10.1107/S0108768196010555 ...

Katzke, H.; Czank, M.; Depmeier, Wulf; van Smaalen, Sander
On the incommensurately modulated structure of ∊′-LiₓV₂O₅ at room temperature
In: Philosophical Magazine Part B Bd. 75 (1997) Heft 5. - S. 757-767
doi:10.1080/13642819708202352 ...

Katzke, H.; Czank, M.; Depmeier, Wulf; van Smaalen, Sander
The stoichiometric dependence of the modulation wave vector in the incommensurately modulated s ...
In: Journal of Physics: Condensed Matter Bd. 9 (1997) Heft 29. - S. 6231-6239
doi:10.1088/0953-8984/9/29/008 ...

van Smaalen, Sander; Dinnebier, Robert E.; Katzke, Hannelore; Depmeier, Wulf
Structural Characterization of the High-Temperature Phase Transitions in Ca₈[Al₁₂O₂₄](MoO₄)₂Alu ...
In: Journal of Solid State Chemistry Bd. 129 (1997) Heft 1. - S. 130-143
doi:10.1006/jssc.1996.7251 ...

Spijkerman, Albert; de Boer, Jan L.; Meetsma, Auke; Wiegers, Gerrit A.; van Smaalen, Sander
X-ray crystal-structure refinement of the nearly commensurate phase of 1T-TaS₂ in (3+2)-dimensi ...
In: Physical Review B Bd. 56 (1997) . - S. 13757-13767
doi:10.1103/PhysRevB.56.13757 ...

1996

You-De, Mo; Zheng-Qing, Fu; Hai-Fu, Fan; van Smaalen, Sander; Lam, Erwin J.; Beurskens, Paul T.
Direct Methods for Incommensurate Intergrowth Compounds. III. Solving the Average Structure in ...
In: Acta Crystallographica Section A Bd. 52 (1996) . - S. 640-644
doi:10.1107/S0108767396003479 ...

Schmicker, D.; van Smaalen, Sander
Dynamical Behavior of Aperiodic Intergrowth Crystals
In: International Journal of Modern Physics B Bd. 10 (1996) Heft 17. - S. 2049-2080
doi:10.1142/S0217979296000933 ...

vansmaalen_sander_170418_i3298l

Fakultät für Mathematik, Physik und Informatik
Lehrstuhlinhaber Kristallographie


Prof. Dr. Sander van Smaalen

Fachgruppe Physik

Universität Bayreuth
95447 Bayreuth

Telefon: +49 (0)921 / 55-3886
E-Mail: smash@uni-bayreuth.de
Homepage: Lehrstuhl Kristallographie

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