FORTRAN IV program for calculating x-ray powder diffraction patterns version 9/10
Technical Report
·
OSTI ID:5736973
The POWD7/8 version of a program to calculate x-ray powder diffraction patterns has been implemented on the CDC 6600 and several changes have been incorporated. The data files used by the POWD program were updated to include the most recently determined scattering factor values. X-ray atomic scattering factors from a variety of sources have been included and are given both in tabular form in intervals of (Sin theta), and as coefficients for the Cromer and Mann analytical expression. Scattering factors for electron diffraction were also obtained from several sources, but are only available in tabular form. Anomalous scattering factors have been added for Fe, Co, Ni, and Cu for Cu K..beta.. radiation. Mass absorption coefficients for all the common K..beta.. wavelengths have also been added. A program COMBIN has also been written to simulate patterns of mixtures using patterns of individual compounds prepared by POW10.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (USA)
- DOE Contract Number:
- AC04-76DP00789
- OSTI ID:
- 5736973
- Report Number(s):
- SAND-81-8226; ON: DE82003893
- Country of Publication:
- United States
- Language:
- English
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