FCT/ZTF

[ The crystallographic site at the Condensed Matter Physics Dept. of the University of the Basque Country ]

[ Space Groups ] [ Layer Groups ] [ Rod Groups ] [ Frieze Groups ] [ Wyckoff Sets ]

2014: International Year of Crystallography Sections Retrieval Tools Magnetic Space Groups Group-Subgroup Representations Solid State Structure Utilities Subperiodic Incommensurate Structures Database Raman and Hyper-Raman scattering Contact us About us Links Publications How to cite the server Tutorials Material from the ITOnline Workshop (September 2011) Material from the school on the server (June 2009) News: New article 03/2013: Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework. Adv. Mater. (2013) New Tutorial 03/2013: New tutorial provided by Juan Rodríguez-Carvajal about how to use FullProf with AMPLIMODES. New Article: MAGNEXT 11/2012: J. Appl. Cryst. (2012). 45, 1236-1247 STRUCTURE RELATIONS 10/2012: New option to impose user defined group-subgroup matrix. STRCONVERT 09/2012: A new tool to edit and convert various types of structure data files. Also supports magnetic information, with visualization option, where available. SAM 07/2012: New version of the program. It has been moved to Raman and Hyper-Raman scattering shell Raman and Hyper-Raman scattering 07/2012: New shell with programs for the Raman and Hyper-Raman scattering processes Magnetic Space Groups 06/2012: New features and bugfixes in the Magnetic Space Groups Shell COMPSTRU 03/2012: New version of the program COMSTRU. One can compare structures of different compounds with the same symmetry. INDEX 12/2011: New option: The index can be calculated introducing the lattice parameters. Space Group Selection in SYMMODES 11/2011: Minor bug fixed in the selection of the space groups form in Symmodes Results in text/plain format Results in text/xml format

Space Groups Retrieval Tools GENPOS Generators and General Positions of Space Groups WYCKPOS Wyckoff Positions of Space Groups HKLCOND Reflection conditions of Space Groups MAXSUB Maximal Subgroups of Space Groups SERIES Series of Maximal Isomorphic Subgroups of Space Groups WYCKSETS Equivalent Sets of Wyckoff Positions NORMALIZER Normalizers of Space Groups KVEC The k-vector types and Brillouin zones of Space Groups SYMMETRY OPERATIONS Geometric interpretation of matrix column representations of symmetry operations Magnetic Space Groups MGENPOS General Positions of Magnetic Space Groups MWYCKPOS Wyckoff Positions of Magnetic Space Groups MAGNEXT Extinction Rules of Magnetic Space Groups Group - Subgroup Relations of Space Groups SUBGROUPGRAPH Lattice of Maximal Subgroups HERMANN Distribution of subgroups in conjugated classes COSETS Coset decomposition for a group-subgroup pair WYCKSPLIT The splitting of the Wyckoff Positions MINSUP Minimal Supergroups of Space Groups SUPERGROUPS Supergroups of Space Groups CELLSUB List of subgroups for a given k-index. CELLSUPER List of supergroups for a given k-index. NONCHAR Non Characteristic orbits. COMMONSUBS Common Subgroups of Space Groups COMMONSUPER Common Supergroups of Two Space Groups INDEX Index of a group subgroup pair Representation Theory Applications REPRES Space Groups Representations DIRPRO Direct Products of Space Group Irreducible Representations CORREL Correlations Between Representations POINT Point Group Tables SITESYM Site-symmetry induced representations of Space Groups Solid State Theory Applications NEUTRON Neutron Scattering Selection Rules SYMMODES Primary and Secondary Modes for a Group - Subgroup pair AMPLIMODES Symmetry Mode Analysis PSEUDO Pseudosymmetry Search in a Structure DOPE Degree of Pseudosymmetry Estimation TRANPATH Transition Paths (Group not subgroup relations) Structure Utilities CELLTRAN Transform Unit Cells STRAIN Strain Tensor Calculation WPASSIGN Assignment of Wyckoff Positions TRANSTRU Transform structures. SETSTRU  Alternative Settings for a given Crystal Structure EQUIVSTRU Equivalent Descriptions for a given Crystal Structure STRCONVERT Convert & Edit Structure Data (supports the CIF, mCIF, VESTA, VASP formats -- with magnetic information where available) VISUALIZE Visualize structures using Jmol COMPSTRU  Comparison of Crystal Structures with the same Symmetry STRUCTURE RELATIONS  Evaluation of structure relationships [transformation matrix] between group-subgroup related phases Subperiodic Groups: Layer, Rod and Frieze Groups Retrieval Tools GENPOS Generators and General Positions of Subperiodic Groups WPOS Wyckoff Positions of Subperiodic Groups MAXSUB Maximal Subgroups of Subperiodic Groups Databases B-IncStrDB  The Bilbao Inconmensurate Crystal Structure Database Raman and Hyper-Raman scattering SAM Spectral Active Modes (IR, RAMAN and HYPER-RAMAN Selection Rules). RAMAN AND HYPER-RAMAN TENSORS Raman and Hyper-Raman tensors in any orientation POLARIZATION SELECTION RULES Polarization Selection Rules for Raman and Hyper-Raman Scattering processes TWINS TENSORS Raman or Hyper-Raman Tensors for Different Orientation Domains CORRELATIONS POINTS Relation between the symmetry modes in a high and low symmtry phases and their activity. RAMAN CORRELATIONS SPACE IR and Raman activity under a symmetry break for a given structures. MORPHIC EFFECTS Correlation relations for point groups under the action of an electric or magnetic field

Bilbao Crystallographic Server http://www.cryst.ehu.es

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