Materials Data on BaI2 by Materials Project
BaI2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Ba–I bond distances ranging from 3.52–4.18 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra. In the second I1- site, I1- is bonded in a 3-coordinate geometry to five equivalent Ba2+ 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:
- 1199371
- Report Number(s):
- mp-23260
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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