Materials Data on BeI2 by Materials Project
BeI2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two BeI2 frameworks. Be2+ is bonded to four I1- atoms to form corner-sharing BeI4 tetrahedra. There are a spread of Be–I bond distances ranging from 2.41–2.45 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Be2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Be2+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1204557
- Report Number(s):
- mp-30140
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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