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Title: Materials Data on LaGa3Cu by Materials Project

Abstract

LaCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All La–Cu bond lengths are 3.41 Å. There are eight shorter (3.27 Å) and four longer (3.41 Å) La–Ga bond lengths. Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 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 La, two equivalent Cu, and three Ga atoms. There are one shorter (2.53 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Cu4 cuboctahedra, edges with two equivalent CuLa4Ga8 cuboctahedra, faces withmore » four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1222853
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; LaGa3Cu; Cu-Ga-La
OSTI Identifier:
1651942
DOI:
https://doi.org/10.17188/1651942

Citation Formats

The Materials Project. Materials Data on LaGa3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651942.
The Materials Project. Materials Data on LaGa3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1651942
The Materials Project. 2020. "Materials Data on LaGa3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1651942. https://www.osti.gov/servlets/purl/1651942. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651942,
title = {Materials Data on LaGa3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {LaCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All La–Cu bond lengths are 3.41 Å. There are eight shorter (3.27 Å) and four longer (3.41 Å) La–Ga bond lengths. Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 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 La, two equivalent Cu, and three Ga atoms. There are one shorter (2.53 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Cu4 cuboctahedra, edges with two equivalent CuLa4Ga8 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra.},
doi = {10.17188/1651942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}