Publications

2008

P. J. Bereciartua, F. J. Zuñiga, T. Breczewski, The incommensurate structure of InAl1-xTixO3+x/2 [x=0.701(1)]: a comparison between modulated and composite model, Acta Cryst. B64, 405-416 (2008).
L. Elcoro, J. M. Perez-Mato, K. Friese, V. Petricek, T. Balic-Zunic, L. A. Olsen, Modular crystals as modulated structures: the case of the lilianite homologous series, Acta Cryst. B64, 684-701 (2008)
A. Faik, M. Gateshki, J. M. Igartua, J. L. Pizarro, M. Insausti, R. Kaindl, A. Grzechnik, Structures and Cation ordering of Sr2AlSbO6 and Sr2CoSbO6, J. Solid State Chem. 181, 1759-1766 (2008).
J. Farran, A. Alvarez-Larena, J. F. Piniella, M. V. Caparelli, K. Friese, Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate, Acta Cryst. C64, o257-o260 (2008).
K. Friese, A. Grzechnik, E. Makovicky, T. Balic-Zunic, S. Karup-Moeller, Crystal structures of iron bearing tetrahedrite and tennantite at 25 and 250ºC by means of Rietveld refinement of synchrotron data, Phys. Chem. Minerals 35, 455-465 (2008).
K. Friese, Y. Kanke, A. N. Fitch, W. Morgenroth, A. Grzechnik, Isosymmetrical phase transition in alpha-YbV4O8, Acta Cryst. B64, 652-660 (2008).
A. Grzechnik, T. Breczewski, K. Friese, High-pressure single-crystal X-ray diffraction of Tl2SeO4, J. Solid State Chem. 181, 2914-2917 (2008).
A. Grzechnik, K. Friese, Tl2CO3 at 3.56 GPa, Acta Crystallogr. C64, i69-i70 (2008).
A. Grzechnik, Y. Kanke, K. Friese, The effect of pressure on the crystal structure of NaV6O11, J. Phys.: Condens. Matter 20, 285208 (8pp) (2008).
A. Grzechnik, W. Morgenroth, K. Friese, Twinned tetragonal structure and equation of state of NaTh2F9, J. Solid State Chem. 181, 971-975 (2008).
Z. Izaola, G. Madariaga, DiXP: a Python-based GUI for controlling a powder diffractometer via the Internet, J. Appl. Cryst. 41, 481-481 (2008).
A. K. Larsson, R. L. Withers, J. M. Perez-Mato, J. D. F. Gerald, P. J. Saines, B. J. Kennedy, Y. Liu, On the microstructure and symmetry of apparently hexagonal BaAl2O4, J. Solid State Chem. 181, 1816-1823 (2008).
J. M. Perez-Mato, P. Blaha, K. Schwarz, M. Aroyo, D. Orobengoa, I. Etxebarria, A. Garcia, Multiple instabilities in Bi4Ti3O12: a ferroelectric beyond the soft-mode paradigm, Phys. Rev. B77, 184104 (2008).
D. Tzankov, V. Skumryev, M. Aroyo, R. Puzniak, M.D. Kuz'min, M. Mikhov, Magnetic anisotropy of multiferroic HoMn2O5 single crystal, Solid State Comm. 147, 212-216 (2008).

2007

M. I. Aroyo, H. Wondratschek, Crystallographic viewpoints in the classification of space-group representations, in International Tables, Vol. B: Reciprocal Space, ed.U. Schmueli, 3rd Edition, Springer Verlag, in press (2007).
T. Breczewski, A. Lopez-Echarri, L. Rubio-Peña, M. I. Aroyo, I. Ruiz-Larrea, E.H. Bocanegra, Experimental study of the ferroelastic phase transitions in urea/n-heptadecane composite, J.Phys.Chem. B, in press (2007).
C. Capillas, M. I. Aroyo, and J. M. Perez-Mato, Transition paths in reconstructive phase transitions, In "Pressure-Induced Phase Transitions" (ed. A. Grzechnik), Research Signpost/Transworld Research Network, Kerala, India (2007).
C. Capillas, J. M. Perez-Mato, M. I. Aroyo, Maximal symmetry transition paths for reconstructive phase transitions, J. Phys.: Cond. Mat. 19, 275203 (2007).
K. Friese, Y. Kanke, A.N. Fitch, A. Grzechnik, Isosymmetrical phase transition and charge ordering in the mixed valence vanadate b-YbV4O8, Chem. Mater. 19, 4882-4889 (2007).
M. Gateshki, J. M. Igartua, A. Faik, Crystal structure and phase transition in Sr2CdWO6, J. Solid State Chem. 180, 2248-2255 (2007).
A. Grzechnik (Editor) "Pressure-Induced Phase Transitions", Book, Research Signpost/Transworld Research Network, Kerala, India (2007).
A. Grzechnik, Stereochemistry of Lone Electron Pairs in Inorganic Materials at High Pressures - In "Pressure-Induced Phase Transitions" (ed. A. Grzechnik), Research Signpost/Transworld Research Network, Kerala, India (2007).
A. Grzechnik, M. Fechtelkord, W. Morgenroth, J.M. Posse, K. Friese, Crystal structure and stability of beta-Na2ThF6 at non-ambient conditions, J. Phys.: Condens. Matter 19, 266219 (2007).
A. Grzechnik, J.-Y. Gesland, K. Friese, High-pressure behaviour of Li2CaHfF8 scheelite, J. Phys.: Cond. Mat. 19, 096215 (2007).
A. Grzechnik, R. Kaindl, K. Friese, Temperature dependent study of the crystal structure of NaCdZn2F7 pyrochlore, J. Phys.Chem. Solids 68, 382 (2007).
A. Grzechnik, J. M. Posse, W. Morgenroth, K. Friese, Compressibilities of disordered fluoride pyrochlores NaCdZn2F7 and NaCaMg2F7, J. Solid State Chem. 180, 1998 (2007).
Z. Izaola, S. González, Luis Elcoro, J. M. Perez-Mato, G. Madariaga, A. García. Revision of pyrrhotite structures within a common superspace model. Acta Crystallographica Section B, 63(5):693-702, (2007).
T. Janssen, J.M. Perez-Mato, The aperiodic double chain model applied to composition flexible compounds, Philosophical Magazine 87, 3031-3041 (2007).pdf
Y. E. Kitaev, M. I. Aroyo J. M. Pérez-Mato, Site symmetry approach to phase transitions in perovskite-related ferroelectric compounds, Phys. Rev. B75, 064110 (2007).
J.M. Perez-Mato, L. Elcoro, V. Petricek, H. Katzke, P. Blaha, Composite Behavior and Multidegeneracy in High-Pressure Phases of Cs and Rb, Phys. Rev. Lett. 99, 0255002 (2007). pdf

2006

I. Aramburu, K. Friese, J. M. Pérez-Mato, W. Morgenroth, M. Aroyo, T. Breczewski, G. Madariaga, Modulated structure of Rb2ZnCl4 in the soliton regime close to the lock-in transition, Phys. Rev. B73, 014112 (2006).
M. I. Aroyo, A. Kirov, C. Capillas, J. M. Pérez-Mato, H. Wondratschek, Bilbao crystallographic server. II. Representations of crystallographic point groups and space groups, Acta Cryst. A62, 115-128 (2006).
M. I. Aroyo, J. M. Pérez-Mato, C. Capillas, E. Kroumova, S. Ivantchev, G. Madariaga, A. Kirov, H. Wondratschek, Bilbao crystallographic server: I. Databases and crystallographic computing programs, Z. Krist. 221, 15-27 (2006).

K. Friese, Y. Kanke, Structural Phase Transitions in BaV6O11, J. Solid State Chem. 179, 3277-3285 (2006).
K. Friese, H. Krüger, V. Kahlenberg, T. Balic-Zunic, H. Emerich, J.-Y. Gesland, A. Grzechnik, Study of the temperature dependence of the structure of KY3F10, J. Phys.: Cond. Mat. 18, 2677 (2006).
O. Gourdon, Z. Izaola, L. Elcoro, V. Petricek, G. J. Miller, Zn1-xPdx (x=0.14-0.24): a missing link between intergrowth compounds and quasicrystal approximants, Phil. Mag. 86, 419-425, (2006).
A. Grzechnik, T. Balic-Zunic, E. Makovicky, J.-Y.Gesland, K. Friese, The compressibility mechanism in Li3Na3In2F12 garnet, J. Phys.: Cond. Mat. 18, 2915 (2006).
A. Grzechnik, W. A. Crichton, W. G. Marshall, K. Friese, K., High-pressure x-ray and neutron powder diffraction study of PbWO4 and BaWO4 scheelites, J. Phys.: Cond. Mat. 18, 3017 (2006).
A. Grzechnik, H. Krüger, V. Kahlenberg and K. Friese (2006), Thermal expansion of Li3Na3In2F12 garnet, J. Phys.: Cond. Mat. 18, 89258934 (2006).
B. Hinrichsen, R. E. Dinnebier, P. Rajiv, M. Hanfland, A. Grzechnik, M. Jansen, Advances in data reduction of high pressure x-ray powder diffraction data from two dimensional detectors: a case study of schafarzikite (FeSb2O4), J. Phys.: Cond. Mat. 18, S1021 (2006).
H. Krüger, V. Kahlenberg, K. Friese, Na2Si3O7: An incommensurate structure with crenel-type modulation functions, refined from a twinned crystal, Acta Cryst. B62, 440-446 (2006).

J. M. Pérez-Mato, L. Elcoro, M. I. Aroyo, H. Katzke, P. T. Toledano, Z. Izaola, Apparently complex high-pressure phase of gallium as a simple modulated structure, Phys. Rev. Lett. 97, 115501 (2006).

I. Ruiz-Larrea, A. Lopez-Echarri, J. Diaz-Hernandez, J. Igartua, Specific heat and thermodynamic functions for Cs2CdBr4 phase transitions, J. Phys.: Cond. Matter 18, 1649-1654 (2006).
A. Schönleber, F. J. Zuñiga, J. M. Pérez-Mato, J. Darriet, H. C. zur Loye, Description of Ba1+xNixRh1-xO3 with x=0.1170 (5) in superspace: modulated composite versus modulated-layer structure, Acta Cryst. B62, 197-204 (2006).
F. J. Zuñiga, L. Palatinus, P. Cabildo, R. M. Claramunt, J. Elguero, The molecular structure of 2-phenylbenzimidazole: a new example of incommensurate modulated intramolecular torsion, Z. Krist. 221, 281-287 (2006).
F. J. Zuñiga, A. Tressaud, J. Darriet, The low-temperature form of Rb2KCrF6 and Rb2KGaF6: The first example of an elpasolite-derived structure with pentagonal bipyramid the B-sublattice, J. Solid State Chem. 179, 3607-3614 (2006).

2005

M. I. Aroyo, Book Review : Mathematical techniques in crystallography and material science, by Edgard Prince, Acta Cryst. A61, 260-261 (2005).
T. Balic-Zunic, K. Mariolacos, K. Friese, E. Makovicky, The crystal structure of a synthetic halogen - sulphosalt Cu3Bi2S3I3 , Acta Cryst. B61, 239-245 (2005).
C. Capillas, M. I. Aroyo, J. M. Pérez-Mato, Methods for pseudosymmetry evaluation: a comparison between the atomic displacements and electron density approaches, Z. Krist. 220, 691-699 (2005)
W. A. Crichton, J. B. Parise, S. M. Antao, A. Grzechnik, Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature, Am. Min. 90, 22 (2005).
J. Darriet, J. C. Launay, F. J. Zuñiga, Crystal structures of the ionic conductors Bi46M8O89 (M = P, V) related to the fluorite-type structure, J. Solid State Chem. 178, 1753-1764 (2005).

I. Etxebarria, J. M. Pérez-Mato, A. García, P. Blaha, K. Schwarz, J. Rodriguez-Carvajal, Comparison of empirical bond-valence and first-principles energy calculations for a complex structural instability, Phys. Rev. B72, 174108 (2005).
K. Friese, J.-Y. Gesland, A. Grzechnik, The structure of multiple twinned CsMgInF6 and its relationship to other pyrochlore derived fluorides, Z. Krist. 220,614-621 (2005).
K. Friese, A. Grzechnik, W. Morgenroth, G. Buth, S. Doyle, J.-Y. Gesland, Synchrotron study of the structure of pyrochlore-related NaCdZn2F7, Acta Cryst. E61, i182 (2005).
E. Gaudin, H. Ben Yahia H, F. J. Zuñiga, J. M. Pérez-Mato, J. Darriet, Modulated and disordered phases in the system LiCdVO4-LiCd4(VO4)3, Chem. Mat. 17, 2436-2447 (2005).
A. Grzechnik, W. A. Crichton, M. Hanfland, SrWO4 at high pressures, phys. stat. sol. (b) 242, 2795 (2005).
A. Grzechnik, V. Dmitriev, H.-P. Weber, Dilithium zirconium hexafluoride Li2ZrF6 at high pressures: A new monoclinic phase, J. Phys. Chem. Solids 66, 1769 (2005).
A. Grzechnik, K. Friese, V. Dmitriev, H.-P. Weber, J.-Y. Gesland, W. A. Crichton, Pressure-induced tricritical phase transition from the scheelite structure to the fergusonite structure in LiLuF4, J. Phys.: Cond. Mat. 17, 763 (2005).
A. Grzechnik, Z. Izaola Azcona, P. Bereciartua, K. Friese, S. Doyle, Thermal expansion in Cr:LiSrGaF6, Mat. Res. Bull. 40, 1976 (2005).

K. Kunc, I. Loa, A. Grzechnik, K. Syassen, Li2O at high pressures: structural properties, phase transition, and phonons, phys. stat sol. (b) 242, 1857 (2005).
G. Madariaga, Clasification and use of modulated and composite structures data, in International Tables for Crystallography, Volume G. Definition and Exchange of Crystallographic Data, Springer Verlag, Holanda (2005).
G. Madariaga, Modulated and composite structures dictionary, in International Tables for Crystallography, Volume G. Definition and Exchange of Crystallographic Data, Springer Verlag, Holanda (2005).
J. M. Pérez-Mato, Incommensurate Phases in Encyclopedia of Condensed Matter Physics, Ed.: Elsevier, ISBN 0-12-227610-8, (2005).
G. V. Vajenine, A. Grzechnik, K. Syassen, I. Loa, M. Hanfland, A. Simon, Interplay of metallic and ionic bonding in layered subnitrides AE2N (AE = Ca, Sr, or Ba) under high pressure, C. R. Chimie 8, 1897 (2005).

2004

M. I. Aroyo, U. Mueller, H. Wondratschek, Historical introduction, in International Tables for Crystallographie, vol. A1: Symmetry relationships between sapce groups, eds. H. Wondratschek, U. Mueller, Kluwer Acad. Publ., Dordrecht (2004).
Y. Billiet, M. I. Aroyo, H. Wondratschek, Tables of maximal subgroups of the plane groups, in International Tables for Crystallographie, vol. A1: Symmetry relationships between space groups, eds. H. Wondratschek, U. Mueller, Kluwer Acad. Publ., Dordrecht (2004).
Y. Billiet, M. I. Aroyo, H. Wondratschek, Tables of maximal subgroups of the space groups, in International Tables for Crystallography, vol. A1: Symmetry relationships between space groups, eds. H. Wondratschek, U. Mueller, Kluwer Acad. Publ., Dordrecht (2004).
C. Capillas, M. I. Aroyo, J. M. Pérez-Mato, "Search for new Pna2(1) ferroelectrics", Ferroelectrics 301: 203-206 (2004).
W. A. Crichton, A. Grzechnik, Crystal structure of calcium molybdate, CaMnO4, a scheelite-type to fergusonite-type transition in powellite at P>15 GPa, Z. Kristall. NCS 219, 337-338 (2004).
L. Elcoro, J. M. Pérez-Mato, Z. Izaola, P. Boullay, D. Mercurio, The high-temperature and intermediate phases of ferroelectric Aurivillius compounds in superspace. A unified approach, Ferroelectrics 305, 79-82 (2004).
L. Elcoro, F. J. Zuñiga, J. M. Pérez-Mato, Superspace description of NaCa4Nb5O17 (a perovskite related compound of the type AnBnO3n+2 as a modulated layered structure, Acta Cryst. B60, 21-31 (2004).
I. Etxebarria, L. Elcoro and J. M Pérez-Mato, Generalized boundary conditions for periodic lattice systems: application to the 2D Ising model in a square lattice, Phys. Rev. E70, 066133 (2004).

K. Friese, A. E. Goeta, M. A. Leech, J. A. K. Howard, G. Madariaga, J. M. Pérez-Mato, T. Breczewski, The low-temperature structure of Tl2SeO4 at 30 K, J. Solid State Chem. 177, 1127-1136 (2004).

M. Gateshki, J.M. Igartua, Crystal structures and phase transitions of the double-perovskite oxides Sr2CaWO6 and Sr2MgWO6, J. Phys.: Cond. Mat. 16, 6639- 6649 (2004).
A. Grzechnik, W. A. Crichton, P. Bouvier, V. Dmitriev, H.-P. Weber, J.-Y. Gesland, Decomposition of LiGdF4 scheelite at high pressures, J. Phys.: Cond. Mat. 16, 7779 (2004).
A. Grzechnik, V. Dmitriev, H.-P. Weber, J.-Y. Gesland, K. Friese, K., Anisotropic termal expansion in LiCaAlF6 and LiSrAlF6, J. Phys.: Cond. Mat. 16, 5769 (2004).

P. Konstantinov, A. Kirov, E. Kroumova, M.I. Aroyo and U. Mueller, Computer preparation of International Tables for Crystallography, vol. A1, in International Tables for Crystallography, vol. A1: Symmetry relationships between space groups, (eds. H. Wondratschek and U. Mueller) (Kluwer Acad. Publ., Dordrecht, 2004.
B. Manoun, J. M. Igartua, M. Gateshki, S.K. Saxena, High-pressure Raman study of the Sr2CaWO6 double-perovskite, J. Phys.: Cond. Mat. 16, 8367- 8376 (2004).

Y. S. Pan, D. Brown, F. J. Zuniga, G. Chapuis, A molecular dynamics study of an incommensurate modulation compound: 4,4 '-dichlorobiphenyl sulphone, Ferroelectrics 305, 53-56 (2004).
J. M. Pérez-Mato, Transiciones de fase estructurales, en Materiales Ferroeléctricos y sus Aplicaciones, 88-94 (2004), Editor: Castellanos-Guzmán, Ed: Universidad de Guadalajara, Mexico, ISBN 970-764-057-X.
J. M. Pérez-Mato, M. I. Aroyo, A. Garcia, P. Blaha, K. Schwarz, J. Schweifer and K. Parlinski, Competing structural instabilities in the ferroelectric Aurivillius compound Bi2SrTa2O9, Phys. Rev. B70, 214111 (2004).
J. M. Pérez-Mato, P. Blaha, K. Parlinski, P. Schwarz, M. I. Aroyo, L. Elcoro, Z. Izaola, Competing instabilities in ferroelectric Aurivillius compounds, Integrated Ferroelectrics 62, 183-188 (2004).
H. Wondratschek, M. I. Aroyo, Guide to the tables and graphs of maximal subgroups of plane and space groups, in International Tables for Crystallographie, vol.A1: Symmetry relationships between space groups, eds. H. Wondratschek, U. Mueller, Kluwer Acad. Publ., Dordrecht (2004).
F. J. Zuñiga, L. Elcoro, J. M. Pérez-Mato, Superspace description of NaCa4Nb5O17 as a modulated layered compound, Ferroelectrics 305, 111-114 (2004).

2003

P. Boullay, N. Teneze, G. Trolliard, D. Mercurio, J. M. Pérez-Mato, Superspace description of the hexagonal perovskites in the system Ba5Nb4O15-BaTiO3 as modulated layered structures, J. Solid State Chem. 174, 209-220 (2003).
C. Capillas, E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, H. T. Stokes, D. M. Hatch, SYMMODES: a software package for group-theoretical analysis of structural phase transitions, J. Appl. Cryst. 36, 953-954 (2003).

L. Elcoro, J. M. Pérez-Mato, J. Darriet, A. El Abed, Superspace description of trigonal and orthorhombic A1+xAxB1-xO3 compounds as modulated layered structures: application to the refinement of trigonal Sr6Rh5O15, Acta Cryst B59, 217-233 (2003).

M. Gateshki, J. M. Igartua, X-ray powder diffraction results for the phase transitions in Sr2MWO6 (M=Ni, Zn, Co, Cu) double perovskite oxides, J. Phys.: Cond. Mat. 15, 6199-6217 (2003).
M. Gateshki, J. M. Igartua, Crystal structure and phase transitions of the double perovskite oxides SrLaCuRuO6 and SrLaNiRuO6, Mat. Res. Bull. 38, 1893-1900 (2003).
M. Gateshki, J. M. Igartua, Second-order structural phase transition in Sr2CuWO6 double-perovskite oxide, J. Phys.: Cond. Mat. 15, 6749-6757 (2003).
M. Gateshki, J. M. Igartua, Cation ordering and high-temperature crystal structure of La2NiRuO6, Mat. Res. Bull. 38, 1661-1668 (2003).

A. Guelylah, G. Madariaga, Dirubidium dicadmium sulfate at 293 K, Acta Cryst. C59, I32-I34 (2003).

A. K. Kirov, M. I. Aroyo, J. M. Pérez-Mato, NEUTRON: a program for computing phonon extinction rules of inelastic neutron scattering and thermal diffuse scattering experiments, J. Appl. Cryst. 36, 1085-1089 (2003).
E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, A. Kirov, C. Capillas, S. Ivantchev, H. Wondratschek, Bilbao crystallographic server: Useful databases and tools for phase-transition studies, Phase Trans. 76, 155-170 (2003).
E. Kroumova, C. Capillas, M. I. Aroyo, J. M. Pérez-Mato, S. Ivantchev, G. Madariaga, A. Kirov, H. Wondratschek, H. T. Stokes, D. M. Hatch, The Bilbao Crystallographic Server, in Group 24: Physical and Mathematical Aspects of Symmetries, Inst. Phys. Conf. Ser. 173, 383-386 (2003).

J. M. Martin-Olalla, F. J. Romero, S. Ramos, M. C. Gallardo, J. M. Pérez-Mato, E. K. H. Salje, The order parameter-entropy relation in some universal classes: experimental evidence, J. Phys.: Cond. Mat. 15, 2423-2434 (2003).
J. M. Pérez-Mato, M. I. Aroyo, C. Capillas, P. Blaha, K. Schwarz, Comment on Orthorhombic intermediate state in zinc blende to rocksalt transformation path of SiC at high pressure, Phys. Rev. Lett. 90, P049603-I (2003).
J. M. Pérez-Mato, J. Etrillard, J. M. Kiat, B. Liang, C. T. Lin, Competition between composite and modulated configurations in Bi2Sr2CaCu2O8+_ and its relation to oxygen stoichiometry, Phys. Rev. B67, 024504 (2003).

L. Rubio-Peña, T. Breczewski, E. H. Bocanegra, G. Madariaga, Ferroelastic phase transition and domain structure in urea inclusion compounds with two different guest families: N-alkanes and alpha,omega-dicarboxilic acids, Ferroelectrics 290, 177-185 (2003).

P. Vitoria, I. Muga, J. M. Gutierrez-Zorrilla, A. Luque, P. Roman, L. Lezama, F. J. Zuñiga, J. I. Beitia, Water displacement by cyanogold complexes in binuclear nickel(II) compounds based on bridging oxalate. Synthesis, structural diversity, magnetic properties, and DFT calculations, Inorg. Chem. 42, 960-969 (2003).
F. J. Zuñiga, J. Darriet, NaCa4Nb5O17: a layered perovskite AnBnO3n+2 compound, Acta Cryst. C59, I18-I20 (2003).

2002

E. Alvarez-Otero, G. Madariaga, I. Peral, C. L. Folcia, S. Rios, Structural study of the low-temperature phase of TlH2PO4 at 180 K, Acta Cryst. B58, 750-759 (2002).
M. I. Aroyo, H. Boysen, J. M. Pérez-Mato, Application of phonon extinction rules in thermal diffuse scattering experiments, J. Phys.: Cond. Matter 316, 154-157 (202).
M. I. Aroyo, H. Boysen, J. M. Pérez-Mato, Inelastic neutron scattering selection rules for phonons: application to leucite phase transitions, Appl. Phys. A Mat. Sci. Proc. 74, S1043-S1045 (2002).
M. I. Aroyo, P. B. Konstantinov, Computer preparation of International Tables, vol. A: Space-group symmetry, in International Tables, vol. A: Space-group symmetry, ed. Theo Hahn, Kluwer Acad. Publ., Dordrecht (2002).
P. Boullay, G. Trolliard, D. Mercurio, J. M. Pérez-Mato, L. Elcoro, Toward a unified approach to the crystal chemistry of aurivillius-type compounds. - 2. Bi7Ti4NbO21, a case Study, J. Solid State Chem. 164, 261-271 (2002).
P. Boullay, G. Trolliard, D. Mercurio, J. M. Pérez-Mato, L. Elcoro, Toward a unified approach to the crystal chemistry of aurivillius-type compounds. - 1. The structural model, J. Solid State Chem. 164, 252-260 (2002).
F. J. Brink, R. L. Withers, K. Friese, G. Madariaga, L. Norén, An electron diffraction and XRPD study od superlattice ordering in the elpasolite-related oxyfluoride K3MoO3F3, J. Solid State Chem. 163, 267-274 (2002).
J. Darriet, L. Elcoro, A. El Abed, E. Gaudin, J. M. Pérez-Mato, Crystal structure of Ba12Co11O33. Reinvestigation using the superspace group approach of orthorhombic oxides A1+xA'B1-xO3 based on [A8O24] and [A8A'O18] layers, Chem. Mater. 14, 3349-3363 (2002).
K. Friese, M. I. Aroyo, L. Schwalowsky, G. Adiwidjaja, U. Bismayer, The disordered high temperature structure of (NH4)3H(SO4)2 and its relationship to the room temperature phase, J. Solid State Chem. 165, 136-147 (2002).

S. Ivantchev, E. Kroumova., M. I. Aroyo, J. M. Pérez-Mato, J. M. Igartua, G. Madariaga, H. Wondratschek, SUPERGROUPS-a computer program for the determination of the supergroups of the space groups, J. Appl. Cryst., 35, 511-512 (2002).
E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, Prediction of new displacive ferroelectrics through systematic pseudosymmetry search. Results for materials with Pba2 and Pmc21 symmetry, Acta Cryst. B58, 921-933 (2002).

J. M. Martin-Olalla, M. C. Gallardo, S. Ramos, J. M. Pérez-Mato, E. K. H. Salje, Test of critical behavior through the order parameter-entropy relation in the normal-incommensurate phase transition of Rb2ZnCl4, Ferroelectrics 270, 1537-1542 (2002).
M. Quilichini, J. M. Pérez-Mato, I. Aramburu, O. Hernandez, Polarization-flip transition under electric field in BCCD, Eur. Phys. J. B25, 431-438, (2002).

J. C. Toledano, R. S. Berry, P. J. Brown, A. M. Glazer, R. Metselaar, D. Pandey, J. M. Pérez-Mato, R. S. Roth, S. C. Abrahams, Response to K. H. Kuo's Comments on quasicrystalline phases and examples of quasicrystalline phase nomenclature in Nomenclature of magnetic, incommensurate, composition-changed morphotropic, polytype, transient-structural and quasicrystalline phases undergoing phase transitions. II. Report of an IUCr Working Group on Phase Transition Nomenclature by J.-C. Toledano et al. (2001). Acta Cryst. A57, 614-626, Acta Cryst. A58, 210 (2002).
J. C. Toledano, R. S. Berry, P. J. Brown, A. M. Glazer, R. Metselaar, D. Pandy, J. M. Pérez-Mato, R. S. Roth, S. C. Abrahams, Nomenclature of magnetic, incommensurate, composition-changed morphotropic, polytype, transient-structural and quasicrystalline phases undergoing phase transitions. II. Report of an IUCr Working Group on Phase Transition Nomenclature (vol A57, pg 614, 2001), Acta Cryst. A58, 79 (2002).
J. A. Valgoma, J. M. Pérez-Mato, Alberto García, K. Schwarz, P. Blaha, First-principles study of the ferroelastic phase transition in CaCl2, Phys. Rev. B65, 134104 (2002).

2001

M. I. Aroyo, H. Wondratschek, Crystallographic viewpoints in the classification of space-group representations, in International Tables, vol. B: Reciprocal Space, ed. U. Schmueli, 2nd edition, Kluwer Acad. Publ., Dordrecht (2001).
L. Beraha, W. Steurer, J. M. Pérez-Mato, The quasicrystal-to-crystal transformation. II. Landau theory, Z. Krist. 216, 573-585 (2001).
T. Breczewski, I. Peral, G. Madariaga, Ferroelastic domain structure of (CH3)4NCdCl3 (TMCC) crystal, Eur. Phys. J. B19, 171-176 (2001).

A. El Abed, S. E. Elqebbaj, M. Zakhour, M. Champeaux, J. M. Pérez-Mato, J. Darriet, Crystal structure of a modulated composite structure with two subsystems: Ba1.1064CoO3, J. Solid State Chem. 161, 300-306 (2001).
L. Elcoro, J. M. Pérez-Mato, R. Withers, A new superspace approach to the layered perovskite-related LanTin-_O3n and Srn(Nb,Ti)nO3n+2 compound series, Ferroelectrics 250, 39-42 (2001).
L. Elcoro, J. M. Pérez-Mato, R. L. Withers, Intergrowth polytypoids as modulated structures: a superspace description of the Srn(Nb,Ti)nO3n+2 compound series, Acta Cryst. B57, 471-484 (2001).
K. Friese, M. I. Aroyo, C.L. Folcia, G. Madariaga, T. Breczewski, Characterization of the room-temperature phase of Tl2MoO4: crystal structure, symmetry mode analysis and second-harmonic generation measurements, Acta Cryst. B57, 142-150 (2001).
O. Gourdon, L. Cario, V. Petricek, J. M. Pérez-Mato, M. Evain, Synthesis, structure determination, and twinning of two new composite compounds in the hexagonal perovskite-like sulfide family: Eu8/7TiS3 and Sr8/7TiS3, Z. Krist. 216, 541-555 (2001).

A. Guelylah, G. Madariaga, V. Petricek, T. Breczewski, M. I. Aroyo, E. H. Bocanegra, X-ray diffraction study of the phase transition of K2Mn2(BeF4) 3: a new type of low-temperature structure for langbeinites, Acta Cryst. B57, 221-230 (2001).
J. Iñiguez, S. Ivantchev, J. M. Pérez-Mato, A. García, Devonshire-Landau free energy of BaTiO3 from first principles, Phys. Rev. B63, 144103 (2001).

E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, R. Hundt, Ferroelectric-paraelectric phase transitions with no group-supergroup relation between the space groups of both phases, Acta Cryst. B57, 599-601, (2001).
E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, S. Ivantchev, J. M. Igartua, H. Wondratchek, PSEUDO: a program for a pseudosymmetry search, J. Appl. Cryst. 34, 783-784 (2001).

S. Mulla-Osman, D. Michel, G. Volkel, I. Peral, G. Madariaga, Cl35 NMR studies of the domain structure of tetramethylammonium cadmium chloride (TMCC) at lower temperatures, J. Phys.: Cond. Mat. 13, 1119-1131 (2001).
I. Peral, G. Madariaga, V. Petricek, T. Breczewski, Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism, Acta Cryst. B57, 386-393 (2001).
I. Peral, G. Madariaga, V. Petricek, T. Breczewski, Superspace description of the structure of the suberic acid plus urea inclusion compound at room temperature, Ferroelectrics 250, 27-30 (2001).
A. Pérez-Etxebarria, G. Madariaga, L. Elcoro, An improved algorithm for the application of the Maximum Entropy Method on superspace periodic sections, Ferroelectrics 250, 413-416 (2001).
J. M. Pérez-Mato, E. K. H. Salje, Order-parameter saturation at low temperatures: displacive phase transitions with coupled Einstein oscillators, Phil. Mag. Lett. 81, 885-891 (2001).
J. M. Pérez-Mato, M. Zakhour-Nakhl, J. Darriet, L. Elcoro, Composite structures beyond a perturbative modulated picture, Ferroelectrics 250, 13-18 (2001).
V. Petricek, L. Elcoro, J. M. Pérez-Mato, J. Darriet, N. Teneze, D. Mercurio, Structures in superspace of intergrowth polytypoids LaTi1-xO3 and (Ba1-4xLa4x)Ti1-xO3 with x=1/5, Ferroelectrics 250, 31-34 (2001).
Y. Tabira, R. L. Withers, J. C. Barry, L. Elcoro, The strain-driven pyrochlore to "defect fluorite" phase transition in rare earth sesquioxide stabilized cubic zirconias, J. Solid State Chem. 159, 121-129 (2001).
C. Talon, M. A. Ramos, S. Vieira, I. Shmyt'ko, N. Afonikova, A. Criado, G. Madariaga, F. J. Bermejo, Thermodynamic and structural properties of the two isomers of solid propanol, J. non-crystalline Solids 287, 226-230 (2001).
J. C. Toledano, R. S. Berry, P. J. Brown, A. M. Glazer, R. Metselaar, D. Pandey, J. M. Pérez-Mato, R. S. Roth, S. C. Abrahams, Nomenclature of magnetic, incommensurate, composition-changed morphotropic, polytype, transient-structural and quasicrystalline phases undergoing phase transitions. II. Report of an IUCr Working Group on Phase Transition Nomenclature, Acta Cryst. A57, 614-626 (2001).

H. Wondratschek, M. I. Aroyo, The application of Hermann's group M in group - subgroup relations between space groups, Acta Cryst. A57, 311-320 (2001).

2000

L. Elcoro, I. Etxebarria, J. M. Pérez-Mato, Modulation parameters in incommensurate modulated structures with inflation symmetry, J. Phys.: Cond. Mat. 12, 841-848 (2000).
L. Elcoro, J. M. Pérez-Mato, R. Withers, Intergrowth polytypoids as modulated structures: the example of the cation deficient oxides LaTi1-xO3, Z. Krist. 215, 727-739 (2000).
I. Etxebarria, J. M. Ezpeleta, Structural modulation of the commensurate phases of betaine calcium chloride dihydrate (BCCD) within a model with nearest neighbour anharmonic couplings, Ferroelectrics 240, 1375-1382 (2000).
K. Friese, G. Madariaga, T. Breczewski, The incommensurately modulated phase of Rb2CoBr4 at 295K and 200K, Acta Cryst. B56, 17-21 (2000).
E. D. Gomes, E. Nogueira, M. Belsley, F. J. Zuñiga, J. Etxebarria, J. Ortega, T. Breczewski, Second harmonic generation and symmetry of SrS2O6 _ 4 H2O, Z. Krist. 215, 222-225 (2000).

A. Guelylah, G. Madariaga, W. Morgenroth, M. I. Aroyo, X-ray structure determination of the monoclinic (120K) and orthorhombic (85K) phases of Langbeinite type dithallium dicadmium sulphate, Acta Cryst. B56, 921-935 (2000).
J. Iñiguez, A. García, J. M. Pérez-Mato, First-principles study of the structural instabilities in hexagonal barium titanate: coupling between the soft optical and the acoustic modes, Ferroelectrics 237, 25-32 (2000).
J. Iñiguez, A. García, J. M. Pérez-Mato, Analysis of soft optical modes in hexagonal BaTiO3: transference of perovskite local distortions, J. Phys.: Cond. Mat. 12, L387-91 (2000).
J. Iñiguez, A. García, J. M. Pérez-Mato, Optimized local modes for lattice-dynamical applications, Phys. Rev. B61, 3127-30 (2000).
J. Iñiguez, A. García, J. M. Pérez-Mato, Local mode transferability from cubic perovskite to hexagonal barium titanate in Fundamental Physics of Ferroelectrics, Aspen Center for Physics Winter Workshop, Editor: R.E. Cohen: 88-94 (2000).
S. Ivantchev, E. Kroumova, G. Madariaga, J.M. Pérez-Mato, M.I. Aroyo, SUBGROUPGRAPH-A Computer Program for a Group-subgroup Graph of Space Groups, J. Appl. Cryst., 33 1190-1191 (2000).
E. Kroumova, M.I. Aroyo, J.M. Perez-Mato, J.M. Igartua, S. Ivantchev, Systematic search of displacive ferroelectrics, Ferroelectrics 241, 295-302 (2000).
I. Peral, G. Madariaga, A. Pérez-Etxebarria, T. Breczewski, X-ray diffraction study of the phase transitions of (CH3) 4NCdCl3 between 293 and 80 K: a quantitative analysis of the ferroelastic domains distribution below 118 K, Acta Cryst. B56, 215-225 (2000).
J. I. Perez-Landazabal, M. L. No, G. Madariaga, V. Recarte, J. San Juan, Quantitative analysis of delta precipitation kinetics in Al-Li alloys, Acta Materialia 48, 1283-1296 (2000).
J. M. Pérez-Mato, I. Aramburu, M. Quilichini, S. Ivantchev, O. Hernandez, Polarization-flip phase transitions under an electric field in displacive systems with competing periodicities, Phys. Rev. B62, 11418-11422 (2000).
J. M. Pérez-Mato, S. Ivantchev, A. García, I. Etxebarria, Displacive vs. order-disorder in structural phase transitions, Ferroelectrics 236, 93-103 (2000).
J. M. Pérez-Mato, E. K. H. Salje, Quantum fluctuations of order parameters in structural phase transitions and the pressure dependence of transition temperatures, J. Phys.: Cond. Mat. 12, L29-L34 (2000).

J. A. Valgoma, J. M. Pérez-Mato, A. Garcia, First-principles study of ferroelasticity in CaCl2 and As2O5, Ferroelectrics 237, 377-384 (2000).
M. Zakhour-Nakhl, J. B. Claridge, J. Darriet, F. Weill, H. C. zur Loye, J. M. Pérez-Mato, Structure determination of two new incommensurate compounds, Ba1+x[(CuxRh1-x)O3] with x=0.1605 and x=0.1695, using a general method based on the superspace group approach, J. Am. Chem. Soc. 122, 1618-1623 (2000).
M. Zakhour-Nakhl, J. Darriet, J. B. Claridge, H. C. zur Loye, J. M. Pérez-Mato, A superspace approach to the composition flexible composite Ba1+x(CuxIr1-x)O3 (x = 0.2708), Int. J. Inorg. Mat. 2, 503-512 (2000).
M. Zakhour-Nakhl, F. Weill, J. Darriet, J. M. Pérez-Mato, A new example of a composite composition flexible phase structure of Ba1+xAx'B1-xO3 (x=0.2124, A ' = Ni, B = 0.51 Ni + 0.49 Pt), Int. J. Inorg. Mat. 2, 71-79 (2000).

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