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Title: Materials Data on CuMo3Br7 by Materials Project

Abstract

Mo3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Br1- atoms to form edge-sharing MoBr5 square pyramids. There are a spread of Mo–Br bond distances ranging from 2.62–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to one Mo2+ and one Cu1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms.

Publication Date:
Other Number(s):
mp-571184
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; CuMo3Br7; Br-Cu-Mo
OSTI Identifier:
1276127
DOI:
10.17188/1276127

Citation Formats

The Materials Project. Materials Data on CuMo3Br7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276127.
The Materials Project. Materials Data on CuMo3Br7 by Materials Project. United States. doi:10.17188/1276127.
The Materials Project. 2020. "Materials Data on CuMo3Br7 by Materials Project". United States. doi:10.17188/1276127. https://www.osti.gov/servlets/purl/1276127. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1276127,
title = {Materials Data on CuMo3Br7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Br1- atoms to form edge-sharing MoBr5 square pyramids. There are a spread of Mo–Br bond distances ranging from 2.62–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to one Mo2+ and one Cu1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms.},
doi = {10.17188/1276127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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