Materials Data on BaBrCl by Materials Project
BaBrCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent Cl1- atoms. There are a spread of Ba–Br bond distances ranging from 3.40–3.61 Å. There are a spread of Ba–Cl bond distances ranging from 3.15–3.19 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Cl1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1328971
- Report Number(s):
- mp-1012551
- Country of Publication:
- United States
- Language:
- English
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