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Title: Materials Data on Sr2Cu(BrO)2 by Materials Project

Abstract

Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.47 Å. Both Sr–Br bond lengths are 3.29 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.47 Å. O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. Br1- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mp-1147556
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2Cu(BrO)2; Br-Cu-O-Sr
OSTI Identifier:
1655377
DOI:
https://doi.org/10.17188/1655377

Citation Formats

The Materials Project. Materials Data on Sr2Cu(BrO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655377.
The Materials Project. Materials Data on Sr2Cu(BrO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1655377
The Materials Project. 2020. "Materials Data on Sr2Cu(BrO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1655377. https://www.osti.gov/servlets/purl/1655377. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1655377,
title = {Materials Data on Sr2Cu(BrO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.47 Å. Both Sr–Br bond lengths are 3.29 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.47 Å. O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. Br1- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1655377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}