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Title: Materials Data on BaBrCl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1328971· OSTI ID:1328971

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:
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:
1328971
Report Number(s):
mp-1012551
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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