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Calculating temperature-dependent X-ray structure factors of α-quartz with an extensible Python 3 package
The design of X-ray optics based on diffraction from crystals depends on the accurate calculation of the structure factors of their Bragg reflections over a wide range of temperatures. In general, the temperature dependence of the lattice parameters, the atomic positions and the atomic thermal vibra...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9348876/ https://www.ncbi.nlm.nih.gov/pubmed/35974725 http://dx.doi.org/10.1107/S1600576722005945 |