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Title: Materials Data on EuGa3Cu by Materials Project

Abstract

EuCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Eu–Cu bond lengths are 3.41 Å. There are eight shorter (3.28 Å) and four longer (3.41 Å) Eu–Ga bond lengths. Cu is bonded to four equivalent Eu and eight Ga atoms to form distorted CuEu4Ga8 cuboctahedra that share corners with four equivalent GaEu4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuEu4Ga8 cuboctahedra, edges with two equivalent GaEu4Ga4Cu4 cuboctahedra, faces with four equivalent CuEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.02 Å) Cu–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 Eu, two equivalent Cu, and three Ga atoms. There are one shorter (2.52 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Eu, four equivalent Cu, and four equivalent Ga atoms to form GaEu4Ga4Cu4 cuboctahedra that share corners with four equivalent CuEu4Ga8 cuboctahedra, corners with twelve equivalent GaEu4Ga4Cu4 cuboctahedra, edges with two equivalent CuEu4Ga8 cuboctahedra, faces withmore » four equivalent CuEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Cu4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1225152
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; EuGa3Cu; Cu-Eu-Ga
OSTI Identifier:
1707176
DOI:
https://doi.org/10.17188/1707176

Citation Formats

The Materials Project. Materials Data on EuGa3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707176.
The Materials Project. Materials Data on EuGa3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1707176
The Materials Project. 2020. "Materials Data on EuGa3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1707176. https://www.osti.gov/servlets/purl/1707176. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707176,
title = {Materials Data on EuGa3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {EuCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Eu–Cu bond lengths are 3.41 Å. There are eight shorter (3.28 Å) and four longer (3.41 Å) Eu–Ga bond lengths. Cu is bonded to four equivalent Eu and eight Ga atoms to form distorted CuEu4Ga8 cuboctahedra that share corners with four equivalent GaEu4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuEu4Ga8 cuboctahedra, edges with two equivalent GaEu4Ga4Cu4 cuboctahedra, faces with four equivalent CuEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.02 Å) Cu–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 Eu, two equivalent Cu, and three Ga atoms. There are one shorter (2.52 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Eu, four equivalent Cu, and four equivalent Ga atoms to form GaEu4Ga4Cu4 cuboctahedra that share corners with four equivalent CuEu4Ga8 cuboctahedra, corners with twelve equivalent GaEu4Ga4Cu4 cuboctahedra, edges with two equivalent CuEu4Ga8 cuboctahedra, faces with four equivalent CuEu4Ga8 cuboctahedra, and faces with four equivalent GaEu4Ga4Cu4 cuboctahedra.},
doi = {10.17188/1707176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}