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Title: Materials Data on UGaCo by Materials Project

Abstract

UCoGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 11-coordinate geometry to five Co and six Ga atoms. There are one shorter (2.78 Å) and four longer (2.82 Å) U–Co bond lengths. There are two shorter (2.98 Å) and four longer (3.13 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Co and six Ga atoms. There are a spread of U–Co bond distances ranging from 2.76–2.83 Å. There are a spread of U–Ga bond distances ranging from 3.00–3.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.53 Å) and four longer (2.55 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six U, four Co, and two equivalent Ga atoms to form amore » mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. Both Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded to six U, four Co, and two Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. The Ga–Ga bond length is 2.72 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1078586
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; UGaCo; Co-Ga-U
OSTI Identifier:
1753212
DOI:
https://doi.org/10.17188/1753212

Citation Formats

The Materials Project. Materials Data on UGaCo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753212.
The Materials Project. Materials Data on UGaCo by Materials Project. United States. doi:https://doi.org/10.17188/1753212
The Materials Project. 2020. "Materials Data on UGaCo by Materials Project". United States. doi:https://doi.org/10.17188/1753212. https://www.osti.gov/servlets/purl/1753212. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1753212,
title = {Materials Data on UGaCo by Materials Project},
author = {The Materials Project},
abstractNote = {UCoGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 11-coordinate geometry to five Co and six Ga atoms. There are one shorter (2.78 Å) and four longer (2.82 Å) U–Co bond lengths. There are two shorter (2.98 Å) and four longer (3.13 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Co and six Ga atoms. There are a spread of U–Co bond distances ranging from 2.76–2.83 Å. There are a spread of U–Ga bond distances ranging from 3.00–3.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.53 Å) and four longer (2.55 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six U, four Co, and two equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. Both Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded to six U, four Co, and two Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaU6Ga2Co4 cuboctahedra. The Ga–Ga bond length is 2.72 Å.},
doi = {10.17188/1753212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}