XLAT | Index | top

Functionality

• Unit Cell Refinement From Cubic to Hexagonal

Costing

• Freeware

Operating System

• DOS (Does not work under DOS session in MS-Windows) and Win32 Version

Availability

http://www-structure.llnl.gov/

Or by Contacting :-

Bernhard Rupp                         Phone : (510) 423-3273 
Structural Biology Initiative         Fax   : (510) 422-2282
BBRP - LLNL L-452                     Internet:rupp1@llnl.gov
POB 808                               24 hr Fax & Phone :  
Livermore CA 94551                    (510) 833-7664  

XLAT has the following features :-

• Refines from cubic up to hexagonal cells
• Non linear calibration of peak positions when using internal standard
• user friendly XUTIL program to setup input files and perform other calculations

XUTIL Menu:-

  (I) Create an input file for XLAT
  (R) Convert from rhombohedral to hexagonal
  (H) Convert from hexagonal to rhombohedral
  (D) Calculate d-spacing from theta values
  (T) Calculation of theta from d-spacings
  (S) Calculate theta's for a given cell, when
      cell constants and system are known
  (C) Calculate indices list and thetas for a Bravais
      cell with known cell constants and Bravais type

CELSIZ | Index | top

Functionality

• Unit Cell Refinement From Cubic to Triclinic (including Rhombohedral)

Costing

• Freeware

Operating System

• MS-Windows

Availability

ftp.minerals.csiro.au/pub/xtallography/david-hay-XRD-software

Or by Contacting :-

David Hay
CSIRO Division of Materials Science and Technology
Private Bag 33
Rosebank MDC
Clayton 3169
AUSTRALIA

Phone: (613) 9542 2698
Fax: (613) 544 1128

E-mail : david.hay@mst.csiro.au

CELSIZ has the following features :-

• Refines from cubic up to triclinic cells
• Non linear calibration of peak positions when using internal standard
• Example files from ICDD methods and practises book

ERACEL | Index | top

Functionality

• A local version of CELREF from Jean Laugier & Alain Filhol (20/10/78)
• Unit Cell Refinement - no Limit on Symmetry

Costing

• Freeware

Operating System

• Win95

Availability

http://fluo.univ-lemans.fr:8001/also.html

Or by Contacting :-

Armel Le Bail
Laboratoire des Fluorures
URA CNRS 449
Universite du Maine
Faculte des Sciences
72017 Le Mans Cedex
FRANCE

E-mail : armel@fluo.univ-lemans.fr

ERACEL has the following features :-

• A program for cell parameters refinement, zeropoint, and/or wavelength from powder diffraction data.
• No calibration is allowed other than with a zeropoint.

UNITCELL | Index | top

Costing

• Freeware

Operating System

• Mac

Availability

http://www.esc.cam.ac.uk/mineral_sciences/UnitCell.html

UNITCELL is available by anonymous ftp to :-

http://www.esc.cam.ac.uk/pub/minp/UnitCell

Else Contact :-

Tim Holland
E-mail: tjbh@esc.cam.ac.uk
World Wide Web: http://www.esc.cam.ac.uk/astaff/holland/

or

Simon Redfern
E-mail: satr@esc.cam.ac.uk
World Wide Web: http://www.esc.cam.ac.uk/astaff/redfern/