Abstract

The programs hosted in the Bilbao Crystallographic Server (http://www.cryst.ehu.es) are briefly explained along with worked examples on various cases related to different fields of applications. It is our aim to have this text acting as a primer on the various usage of the crystallographic tools in conjunction with each other due to the modular structure of the server. For this reason, diverse topics such as crystallographic groups and their subgroups, pseudosymmetry, extinction conditions, k -vectors and irreducible representations have been discussed in the context.

Highlights

  • The Bilbao Crystallographic Server [1, 2] hosts databases and programs related to group theory, crystallography and solid-state physics applications

  • The server is built on a database core, which includes data from International Tables for Crystallography, Volume A: Space-group symmetry [3], and the data on maximal subgroups of space groups as listed in Part 1 of International Tables for Crystallography, Volume A1: Symmetry relations between space groups [4]

  • There is an access to the crystallographic data for the subperiodic layer and rod groups (International Tables for Crystallography, Volume E: Subperiodic groups [5]) and their maximal subgroups

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Summary

GENERAL LAYOUT OF THE SERVER

The Bilbao Crystallographic Server (http://www.cryst.ehu.es) [1, 2] hosts databases and programs ( called “modules” or “tools”) related to group theory, crystallography and solid-state physics applications. The server is built on a database core, which includes data from International Tables for Crystallography, Volume A: Space-group symmetry (hereafter referred to as ITA) [3], and the data on maximal subgroups of space groups as listed in Part 1 of International Tables for Crystallography, Volume A1: Symmetry relations between space groups (hereafter referred to as ITA1) [4]. The last section contains basic facts and definitions on some selected topics of mathematical crystallography necessary for the description of the databases and programs of the Bilbao Crystallographic Server treated in this article

Space groups retrieval tools
Brillouin-zone database
Group-subgroup relations of space groups
Representation theory applications
Structure utilities
Solid state theory applications
B-IncStrDB
Identifying relations between space groups
Comparison of Structures
Infrared and Raman activity in aurivillius compounds
Analysis of the relations between a high- and low-symmetry structure pair
SOME DEFINITIONS AND INFORMATION ON NOTATION
Coordinate transformations: basic results
Basic definitions
Subgroups of space groups
Full Text
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