User Friendly Unit Cell Refinement Software
This Homepage is at http://www.unige.ch/crystal/stxnews/riet/faq/progs/riet-pc.htm
[Scripta Metallurgica 22, 1 (1988)]
Functionality
- Unit Cell Refinement From Cubic to Hexagonal
Costing
Operating System
- DOS (Does not work under DOS session in MS-Windows) and Win32 Version
Availability
XLAT is available by on the Web:-
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
E-mail : rupp1@llnl.gov
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
Part of the collection of
David Hay Powder XRD Software
Functionality
- Unit Cell Refinement From Cubic to Triclinic (including Rhombohedral)
Costing
Operating System
Availability
CELSIZ is available by anonymous ftp to :-
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
Functionality
- A local version of CELREF from Jean Laugier & Alain Filhol (20/10/78)
- Unit Cell Refinement - no Limit on Symmetry
Costing
Operating System
Availability
ERACEL is available on the web via :-
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.
T J B Holland and S A T Redfern. "Unit cell refinement:
changing the dependent variable, and use of regression diagnostics".
American Mineralogist (submitted)
Costing
Operating System
Availability
Information is available at :-
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/
Go Direct!
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8th December. 1997 -
Volunteer Maintainer