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Title: Materials Data on UGa3Ni by Materials Project

Abstract

UNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All U–Ni bond lengths are 3.32 Å. There are eight shorter (3.12 Å) and four longer (3.32 Å) U–Ga bond lengths. Ni is bonded to four equivalent U and eight Ga atoms to form distorted NiU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiU4Ga8 cuboctahedra, edges with two equivalent GaU4Ga4Ni4 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra. There are four shorter (2.47 Å) and four longer (2.88 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Ni, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent U, four equivalent Ni, and four equivalent Ga atoms to form GaU4Ga4Ni4 cuboctahedra that share corners with four equivalent NiU4Ga8 cuboctahedra, corners with twelve equivalent GaU4Ga4Ni4 cuboctahedra, edges with two equivalent NiU4Ga8 cuboctahedra, faces withmore » four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-31428
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; UGa3Ni; Ga-Ni-U
OSTI Identifier:
1205652
DOI:
10.17188/1205652

Citation Formats

The Materials Project. Materials Data on UGa3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205652.
The Materials Project. Materials Data on UGa3Ni by Materials Project. United States. doi:10.17188/1205652.
The Materials Project. 2020. "Materials Data on UGa3Ni by Materials Project". United States. doi:10.17188/1205652. https://www.osti.gov/servlets/purl/1205652. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205652,
title = {Materials Data on UGa3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {UNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All U–Ni bond lengths are 3.32 Å. There are eight shorter (3.12 Å) and four longer (3.32 Å) U–Ga bond lengths. Ni is bonded to four equivalent U and eight Ga atoms to form distorted NiU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiU4Ga8 cuboctahedra, edges with two equivalent GaU4Ga4Ni4 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra. There are four shorter (2.47 Å) and four longer (2.88 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Ni, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent U, four equivalent Ni, and four equivalent Ga atoms to form GaU4Ga4Ni4 cuboctahedra that share corners with four equivalent NiU4Ga8 cuboctahedra, corners with twelve equivalent GaU4Ga4Ni4 cuboctahedra, edges with two equivalent NiU4Ga8 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra.},
doi = {10.17188/1205652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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