| Reviews in Mineralogy & Geochemistry,
 Volume 41 
 High-Temperature
 and High-Pressure Crystal Chemistry
 
 Robert M. Hazen and Robert T. Downs, Editors
 
 
 
 Chapter 1. PRINCIPLES OF COMPARATIVE CRYSTAL CHEMISTRY
 Robert M. Hazen, Robert T. Downs and Charles T. Prewitt
 
    
      XtalDraw is an interactive computer program that draws crystal
 and molecular structures as ball and stick, polyhedral,  or as thermal
 ellipsoid representations. It comes with a large set of data files. The
program  runs in Win95/98/00/NT.  Not only does it use the XtalDraw
data files,  but it can also use the American Mineralogist Crystal
Structure Data  Base files with the extension *.amc. 
  Download the programs and datafiles
  . The software also reports tables of bond lengths, angles, polyhedral
volumes,  thermal parameters, distortion parameters, etc. that are computed
with the  METRIC software written by Boisen, Gibbs, Bartelmehs and Downs. The Collaborative Computational 
Project  Number 14
   (CCP14) has an extensive listing of crystallographic software free for 
public use. STRAIN
   by Ohashi, Y. (1982) A program to calculate the strain tensor from two 
sets of unit-cell parameters.  In Hazen, R. M. and Finger, L. W., Comparative
 Crystal Chemistry.  NY, Wiley, pp. 92-102. ANHARM:  Software to deal with anharmonic treatments of thermal
 motion is available from Dr. 
  Boysen.
     Prometheus:  Refinement software that incorporates anharmonic
 treatments of thermal motion is available from Dr. 
  Kuhs
  . 
 
 Chapter 2. EQUATIONS OF STATE
 Ross J. Angel
 
    EosFit
  : to fit and manipulate Equations of state, and other software for collecting
 and processing high-pressure single-crystal diffraction data. STRAIN
   by Ohashi, Y. (1982) A program to calculate the strain tensor from two 
sets of unit-cell parameters.  In Hazen, R. M. and Finger, L. W., 
 Comparative Crystal Chemistry.  NY, Wiley, pp. 92-102. 
 
 Chapter 3. ANALYSIS OF HARMONIC DISPLACEMENT FACTORS
 Robert T. Downs
 
    The PEANUT software can be obtained from 
  Jurg Hauser
   at Universitat Bern. The TLS
   program was used to compute the rigid body corrections for quartz. It
can  be obtained with the quartz sample datafile. 
 
 Chapter 4. ANIMATION OF CRYSTAL STRUCTURE VARIATIONS WITH PRESSURE, TEMPERATURE,
 AND COMPOSITION
 Robert T. Downs and Paul J. Heese
 
    American Mineralogist 
Crystal Structure Database
  : This is a set of all the crystal structure data ever published in American
 Mineralogist, and is maintained by Bob Downs for the Mineralogical Society
 of America. It is a source of digital data files used to construct images
 and can be found at /xtal-cgi/test XtalDraw: This software, written by Bob Downs, Kurt Bartelmehs, 
 and Kausik Sinnaswamy can be used to make images of crystal structures. It
is available with a large set of data files at /xtal/personal.html. 
  More details
   are provided in the links for Chapter 1. Movie Gear
  : Shareware to construct animated GIF89 files that display the mineral
movies  on both the PC and on the Internet. We do not control access to this
software,  but as of this publication date, it can be obtained from http://www.gamani.com 
 Examples
   and detailed instructions to make crystal structure movies can be found 
at /xtal/movies/crystal_movies.html |