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Title: Materials Data on SrBr2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274023· OSTI ID:1274023

SrBr2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr7 pentagonal bipyramids. There are a spread of Sr–Br bond distances ranging from 3.09–3.23 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted edge and corner-sharing BrSr4 trigonal pyramids. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to three equivalent Sr2+ 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:
1274023
Report Number(s):
mp-567744
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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