Publication details
PREDICTING THE CRYSTAL STRUCTURE OF BERYL FROM THE CHEMICAL COMPOSITION
| Authors | |
|---|---|
| Year of publication | 2023 |
| Type | Article in Periodical |
| Magazine / Source | CANADIAN JOURNAL OF MINERALOGY AND PETROLOGY |
| MU Faculty or unit | |
| Citation | |
| Web | https://pubs.geoscienceworld.org/cjmp/article-abstract/61/4/873/624454/Predicting-the-Crystal-Structure-of-Beryl-from-the?redirectedFrom=fulltext |
| Doi | http://dx.doi.org/10.3749/2200034 |
| Keywords | beryl; crystal-chemistry; mineralogy; crystal-structure prediction; crystallography; natural mineral kinds; beryllium; silicate minerals |
| Description | 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. |