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Title: Materials Data on LaGa3Pd by Materials Project

Abstract

LaPdGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ga atoms. All La–Pd bond lengths are 3.44 Å. There are eight shorter (3.32 Å) and four longer (3.44 Å) La–Ga bond lengths. Pd is bonded to four equivalent La and eight Ga atoms to form distorted PdLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Pd4 cuboctahedra, corners with twelve equivalent PdLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Pd4 cuboctahedra, faces with four equivalent PdLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Pd4 cuboctahedra. There are four shorter (2.58 Å) and four longer (3.07 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Pd, and three Ga atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Pd, and four equivalent Ga atoms to form GaLa4Ga4Pd4 cuboctahedra that share corners with four equivalent PdLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Pd4 cuboctahedra, edges with two equivalent PdLa4Ga8 cuboctahedra, faces withmore » four equivalent PdLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Pd4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1222842
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; LaGa3Pd; Ga-La-Pd
OSTI Identifier:
1664116
DOI:
https://doi.org/10.17188/1664116

Citation Formats

The Materials Project. Materials Data on LaGa3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664116.
The Materials Project. Materials Data on LaGa3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1664116
The Materials Project. 2020. "Materials Data on LaGa3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1664116. https://www.osti.gov/servlets/purl/1664116. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1664116,
title = {Materials Data on LaGa3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {LaPdGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ga atoms. All La–Pd bond lengths are 3.44 Å. There are eight shorter (3.32 Å) and four longer (3.44 Å) La–Ga bond lengths. Pd is bonded to four equivalent La and eight Ga atoms to form distorted PdLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Pd4 cuboctahedra, corners with twelve equivalent PdLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Pd4 cuboctahedra, faces with four equivalent PdLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Pd4 cuboctahedra. There are four shorter (2.58 Å) and four longer (3.07 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Pd, and three Ga atoms. There are one shorter (2.54 Å) and two longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Pd, and four equivalent Ga atoms to form GaLa4Ga4Pd4 cuboctahedra that share corners with four equivalent PdLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Pd4 cuboctahedra, edges with two equivalent PdLa4Ga8 cuboctahedra, faces with four equivalent PdLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Pd4 cuboctahedra.},
doi = {10.17188/1664116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}