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Title: Materials Data on La3(GaNi)2 by Materials Project

Abstract

La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.

Publication Date:
Other Number(s):
mp-21529
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; La3(GaNi)2; Ga-La-Ni
OSTI Identifier:
1196975
DOI:
https://doi.org/10.17188/1196975

Citation Formats

The Materials Project. Materials Data on La3(GaNi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196975.
The Materials Project. Materials Data on La3(GaNi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1196975
The Materials Project. 2020. "Materials Data on La3(GaNi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1196975. https://www.osti.gov/servlets/purl/1196975. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1196975,
title = {Materials Data on La3(GaNi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.},
doi = {10.17188/1196975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}