4.5 Article

From CIF to virtual morphology using the WinXMorph program

Journal

JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 40, Issue -, Pages 382-385

Publisher

BLACKWELL PUBLISHING
DOI: 10.1107/S0021889807003986

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Crystal morphologies are predicted from data stored in files in the CIF format (crystallographic information file standard of the International Union of Crystallography) on the basis of the Bravais-Friedel, Donnay-Harker model. Several simple improvements to the calculation are introduced with WinXMorph, version 1.4.9, in conjunction with illustrations of the morphologies of quartz, sucrose, lactose, pyrite and lysozyme. The morphologies of the recently discovered pentamorphs of 1,8-dihydroxyanthraquinone are predicted. WinXMorph is available free-of-charge for educational use.

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