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Title: Materials Data on Ga8Cu3Mo2 by Materials Project

Abstract

Mo2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Mo is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All Mo–Cu bond lengths are 2.78 Å. There are a spread of Mo–Ga bond distances ranging from 2.58–2.63 Å. Cu is bonded in a distorted q6 geometry to two equivalent Mo and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Mo, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo, three equivalent Cu, and three equivalent Ga atoms.

Publication Date:
Other Number(s):
mp-567502
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; Ga8Cu3Mo2; Cu-Ga-Mo
OSTI Identifier:
1273901
DOI:
https://doi.org/10.17188/1273901

Citation Formats

The Materials Project. Materials Data on Ga8Cu3Mo2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273901.
The Materials Project. Materials Data on Ga8Cu3Mo2 by Materials Project. United States. doi:https://doi.org/10.17188/1273901
The Materials Project. 2020. "Materials Data on Ga8Cu3Mo2 by Materials Project". United States. doi:https://doi.org/10.17188/1273901. https://www.osti.gov/servlets/purl/1273901. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1273901,
title = {Materials Data on Ga8Cu3Mo2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Mo is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All Mo–Cu bond lengths are 2.78 Å. There are a spread of Mo–Ga bond distances ranging from 2.58–2.63 Å. Cu is bonded in a distorted q6 geometry to two equivalent Mo and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Mo, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo, three equivalent Cu, and three equivalent Ga atoms.},
doi = {10.17188/1273901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}