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Persistent URL http://purl.org/net/epubs/work/25510
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Record Id 25510
Title XTAL: A Program for calculating interatomic distances and coordination numbers for model structures
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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
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Language English (EN)
Type Details URI(s) Local file(s) Year
Report RAL Technical Reports RAL-93-063. 1993. RAL-TR-1993-063.pdf 1993
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Science and Technology Facilities Council Switchboard: 01793 442000