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Title: Materials Data on CuSe3Br by Materials Project

Abstract

CuBrSe3 crystallizes in the orthorhombic Pmna space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuSe3 ribbons oriented in the (0, 0, 1) direction. In each CuSe3 ribbon, Cu1+ is bonded in a water-like geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Cu1+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Se2- atoms.

Publication Date:
Other Number(s):
mp-28741
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; CuSe3Br; Br-Cu-Se
OSTI Identifier:
1202804
DOI:
https://doi.org/10.17188/1202804

Citation Formats

The Materials Project. Materials Data on CuSe3Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202804.
The Materials Project. Materials Data on CuSe3Br by Materials Project. United States. doi:https://doi.org/10.17188/1202804
The Materials Project. 2020. "Materials Data on CuSe3Br by Materials Project". United States. doi:https://doi.org/10.17188/1202804. https://www.osti.gov/servlets/purl/1202804. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202804,
title = {Materials Data on CuSe3Br by Materials Project},
author = {The Materials Project},
abstractNote = {CuBrSe3 crystallizes in the orthorhombic Pmna space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuSe3 ribbons oriented in the (0, 0, 1) direction. In each CuSe3 ribbon, Cu1+ is bonded in a water-like geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.39 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to one Cu1+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Se2- atoms.},
doi = {10.17188/1202804},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}