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Materials Data on CdBiBrO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1716019· OSTI ID:1716019
CdBiO2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Cd–O bond lengths are 2.29 Å. All Cd–Br bond lengths are 3.38 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.26 Å. All Bi–Br bond lengths are 3.60 Å. O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OCd2Bi2 tetrahedra. Br1- is bonded in a 8-coordinate geometry to four equivalent Cd2+ and four equivalent Bi3+ atoms.
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:
1716019
Report Number(s):
mp-1226758
Country of Publication:
United States
Language:
English

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