| 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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