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Calculating temperature-dependent X-ray structure factors of α-quartz with an extensible Python 3 package

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A Python 3 software package for precise calculation of X-ray structure factors of α-quartz over a wide temperature range is presented. α-Quartz was chosen because of its practical application in… Click to show full abstract

A Python 3 software package for precise calculation of X-ray structure factors of α-quartz over a wide temperature range is presented. α-Quartz was chosen because of its practical application in high-resolution X-ray spectroscopy, but this software package can be easily extended to other crystals.

Keywords: structure factors; ray; factors quartz; package; ray structure; python

Journal Title: Journal of Applied Crystallography
Year Published: 2022

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