HENRY, Rhiana E, Lee A GROAT, Jan CEMPÍREK, Radek ŠKODA and Markéta HOLÁ. PREDICTING THE CRYSTAL STRUCTURE OF BERYL FROM THE CHEMICAL COMPOSITION. CANADIAN JOURNAL OF MINERALOGY AND PETROLOGY. QUEBEC: MINERALOGICAL ASSOC CANADA, 2023, vol. 61, No 4, p. 873-897. ISSN 2817-1713. Available from: https://dx.doi.org/10.3749/2200034. |
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@article{2349299, author = {Henry, Rhiana E and Groat, Lee A and Cempírek, Jan and Škoda, Radek and Holá, Markéta}, article_location = {QUEBEC}, article_number = {4}, doi = {http://dx.doi.org/10.3749/2200034}, keywords = {beryl; crystal-chemistry; mineralogy; crystal-structure prediction; crystallography; natural mineral kinds; beryllium; silicate minerals}, language = {eng}, issn = {2817-1713}, journal = {CANADIAN JOURNAL OF MINERALOGY AND PETROLOGY}, title = {PREDICTING THE CRYSTAL STRUCTURE OF BERYL FROM THE CHEMICAL COMPOSITION}, url = {https://pubs.geoscienceworld.org/cjmp/article-abstract/61/4/873/624454/Predicting-the-Crystal-Structure-of-Beryl-from-the?redirectedFrom=fulltext}, volume = {61}, year = {2023} }
TY - JOUR ID - 2349299 AU - Henry, Rhiana E - Groat, Lee A - Cempírek, Jan - Škoda, Radek - Holá, Markéta PY - 2023 TI - PREDICTING THE CRYSTAL STRUCTURE OF BERYL FROM THE CHEMICAL COMPOSITION JF - CANADIAN JOURNAL OF MINERALOGY AND PETROLOGY VL - 61 IS - 4 SP - 873-897 EP - 873-897 PB - MINERALOGICAL ASSOC CANADA SN - 28171713 KW - beryl KW - crystal-chemistry KW - mineralogy KW - crystal-structure prediction KW - crystallography KW - natural mineral kinds KW - beryllium KW - silicate minerals UR - https://pubs.geoscienceworld.org/cjmp/article-abstract/61/4/873/624454/Predicting-the-Crystal-Structure-of-Beryl-from-the?redirectedFrom=fulltext N2 - Crystal-structure prediction is a challenging topic. Few models have been developed that use the chemical composition of a known compound to determine a complete crystal structure. A complete structural model should include all major bond lengths and angles, atomic coordinates, polyhedral volumes and distortions, and unit-cell parameters. The mineral beryl is used here to develop such a model. ER -
HENRY, Rhiana E, Lee A GROAT, Jan CEMPÍREK, Radek ŠKODA and Markéta HOLÁ. PREDICTING THE CRYSTAL STRUCTURE OF BERYL FROM THE CHEMICAL COMPOSITION. \textit{CANADIAN JOURNAL OF MINERALOGY AND PETROLOGY}. QUEBEC: MINERALOGICAL ASSOC CANADA, 2023, vol.~61, No~4, p.~873-897. ISSN~2817-1713. Available from: https://dx.doi.org/10.3749/2200034.
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