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Persistent URL
http://purl.org/net/epubs/work/25510
Record Status
Checked
Record Id
25510
Title
XTAL: A Program for calculating interatomic distances and coordination numbers for model structures
Contributors
Alex C Hannon (SERC Rutherford Appleton Lab.)
Abstract
A description is given of a program, XTAL, which enables the user to study the interatomic distances and atomic coordination numbers for an arrangement of atoms of given positions. It is intended primarily for use in the interpretation of diffraction results for non-crystalline samples, but has already found application in other fields as well. The approach used by the program involves a calculation of partial radial distribution functions. The program is written to be both general and flexible so that it may be used to study a wide variety of periodic structures including crystals and the results of molecular dynamics calculations, as well as non-periodic structures such as molecules and ball-and-stick models.
Organisation
SERC
Keywords
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Language
English (EN)
Type
Details
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Year
Report
RAL Technical Reports
RAL-93-063. 1993.
RAL-TR-1993-063.pdf
1993
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