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Title: Materials Data on SmGa3Ni by Materials Project

Abstract

SmNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Sm–Ni bond lengths are 3.35 Å. There are eight shorter (3.15 Å) and four longer (3.35 Å) Sm–Ga bond lengths. Ni is bonded to four equivalent Sm and eight Ga atoms to form distorted NiSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ni4 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ni4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.90 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 Sm, two equivalent Ni, and three Ga atoms. All Ga–Ga bond lengths are 2.49 Å. In the second Ga site, Ga is bonded to four equivalent Sm, four equivalent Ni, and four equivalent Ga atoms to form GaSm4Ga4Ni4 cuboctahedra that share corners with four equivalent NiSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ni4 cuboctahedra, edges with two equivalent NiSm4Ga8 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces withmore » four equivalent GaSm4Ga4Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1219023
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; SmGa3Ni; Ga-Ni-Sm
OSTI Identifier:
1747090
DOI:
https://doi.org/10.17188/1747090

Citation Formats

The Materials Project. Materials Data on SmGa3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747090.
The Materials Project. Materials Data on SmGa3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1747090
The Materials Project. 2020. "Materials Data on SmGa3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1747090. https://www.osti.gov/servlets/purl/1747090. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747090,
title = {Materials Data on SmGa3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {SmNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Sm–Ni bond lengths are 3.35 Å. There are eight shorter (3.15 Å) and four longer (3.35 Å) Sm–Ga bond lengths. Ni is bonded to four equivalent Sm and eight Ga atoms to form distorted NiSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ni4 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ni4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.90 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 Sm, two equivalent Ni, and three Ga atoms. All Ga–Ga bond lengths are 2.49 Å. In the second Ga site, Ga is bonded to four equivalent Sm, four equivalent Ni, and four equivalent Ga atoms to form GaSm4Ga4Ni4 cuboctahedra that share corners with four equivalent NiSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ni4 cuboctahedra, edges with two equivalent NiSm4Ga8 cuboctahedra, faces with four equivalent NiSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ni4 cuboctahedra.},
doi = {10.17188/1747090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}