Programs that can read and/or write powder CIFs
GSAS
The GSAS package
(
http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/gsas/public/gsas/),
as
distributed, contains a program for the generation of CIFs, GSAS2CIF.
The
GSAS2CIF program can be used with single crystal fits or powder
diffraction (Rietveld) fits, or a combination of both. When a
refinement contains multiple data sets and/or multiple crystalline
phases, a multiple block CIF is created to report the results.
Guidance on the use of the GSAS2CIF program can be found on
the web (
http://www.ncnr.nist.gov/xtal/software/expgui/gsas2cif.html).
GSAS runs
on Windows, Linux, MacOS (OSX) and Silicon Graphics computers.
The EXPGUI package
(
http://www.ncnr.nist.gov/xtal/software/expgui/expgui.html)
is a
graphical user interface (GUI) for GSAS. EXPGUI includes two GUI
utilities of use for the
generation of CIFs. The routine FillTemplate is
used to enter descriptive information into the files used to generate a
CIF and the routine CIFselect is used to choose interatomic distances
for publication. These routines are documented on the
GSAS2CIF web page (
http://www.ncnr.nist.gov/xtal/software/expgui/gsas2cif.html).
EXPGUI runs on Windows, Linux, MacOS (OSX) and Silicon Graphics
computers.
pdCIFplot
The
pdCIFplot program
(
http://www.ncnr.nist.gov/xtal/software/cif/pdCIFplot.html)
is used to
display powder diffraction data and optionally Rietveld fits reported
in CIF format. The program is distributed as part of the NCNR CIFTOOLS
(
http://www.ncnr.nist.gov/xtal/software/cif/ciftools.html)
and runs on
Windows, MacOS (OSX) and virtually all Unix and Linux platforms.
CSD/WinCSD
Crystal
Structure Determination (CSD) can write CIFs for single-crystal
or Rietveld refinements. See
http://materials.binghamton.edu/zavalij/CSD.html.
Jana2000
Jana2000
can create CIFs for both single-crystal and Rietveld
refinements. Multi-phase refinements can be carried out. See
http://www-xray.fzu.cz/jana/Jana2000/jana.html.
ICSD
The
ICSD provide crystal data in CIF format, see
http://icsdweb.fiz-karlsruhe.de/.
DIFFRACplus
TOPAS
DIFFRAC
plus
TOPAS can output crystal data in CIF format: see
http://www.bruker-axs.de.
If you have a program that reads or writes powder CIFs and would like
us to list it on this page, please contact
[email protected].