Crystal Structure

  • BondInfo v2.0
    Description: program for interatomic distances analysis (screenshot)
    Literature reference: V.V. Romaka (2009) BondInfo. Version 2.0. Lviv. Ukraine
    Platform: English versions of Microsoft Windows XP, Vista, 7, 2003 Server, NET.Framework support
    (Download)
    THE SOURCE CODE IS AVALIABLE HERE 
 
  • BondInfo v3.0
    Description: program for interatomic distances analysis in case of statistical mixture of atoms (screenshot)
    Literature reference: V.V. Romaka (2010) BondInfo. Version 3.0. Lviv. Ukraine
    Platform: English versions of Microsoft Windows XP, Vista, 7, 2003 Server, NET.Framework support
    (Download)
    THE SOURCE CODE IS AVALIABLE HERE
 
  • Structure Tidy (PC version 1992)
    Description: a program for the purpose of standardizing crystal structure data according to rules formulated by Parthé & Gelato. From input consisting of space-group symbol, unit-cell parameters and positional coordinates of the atoms, a reordered and renumbered list of standardized atom coordinates is obtained (screenshot)
    Literature reference: L.M. Gelato & E. Parthé : STRUCTURE TIDY - a Computer Program to Standardize Crystal Structure Data. J. Appl. Cryst. 20, 139-143 (1987)
    Platform: MS DOS, Windows 9x, Me, NT, 2000, XP, Vista, 7
    (Download

 

  • publCIF v1.92 
    Description: publCIF takes a crystallographic information file (CIF) and prepares a formatted paper in the style of Acta Crystallographica Sections C and E. Starting with a CIF resulting from a structure refinement, use publCIF to add data items required for publication, prepare standard and customized geometry tables using simple spread sheets, write your paper using a word-processing environment, check your CIF, for both syntax and completeness, print or export a Preprint of your paper (screenshot)
    Literature reference: none
    Platform: MS Windows XP, Vista, 7
    (Download)
 
  • FullProf Suite (version February 2011)
  • Description: the FullProf Suite (for Windows and Linux) is formed by a set of crystallographic programs (FullProf, WinPLOTR, EdPCR, GFourier, etc...) mainly developed for Rietveld analysis (structure profile refinement) of neutron (constant wavelength, time of flight, nuclear and magnetic scattering) or X-ray powder diffraction data collected at constant or variable step in scattering angle 2theta (screenshot)
    Literature reference:
    WinPLOTR: a Windows tool for powder diffraction patterns analysis Materials Science Forum, Proceedings of the Seventh European Powder Diffraction Conference (EPDIC 7), 2000, p.118-123, Ed. R. Delhez and E.J. Mittenmeijer. Authors:T. Roisnel, J. Rodriguez-Carvajal
    Platform: MS Windows 9x, XP, Vista, 7
    (Download)
 
  • PowderCell v2.4
    Description: t
    he basic idea of the program is the specific use of crystallographic know-how for an intuitive generation of structure models.  Also for the solution of problems connecting with phase identification, phase mixtures, unknown preferred orientations, the simulation of a powder pattern of a phase described exclusively by single crystal data, one can apply the different features of PowderCell (screenshot)
    Literature reference: Kraus W.,  Nolze G. Powder Cell for Windows. – Berlin., 1999
    Platform: MS Windows 9x, XP, Vista, 7
    (Download)