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Title: Materials Data on CuBrO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317110· OSTI ID:1317110

CuO2Br crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two CuO2Br sheets oriented in the (1, 0, 0) direction. Cu is bonded in a square co-planar geometry to four equivalent O atoms. All Cu–O bond lengths are 1.92 Å. O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu and one Br atom. The O–Br bond length is 2.02 Å. Br is bonded in a linear geometry to two equivalent O 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:
1317110
Report Number(s):
mp-996993
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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