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Title: Materials Data on SmGa5Co by Materials Project

Abstract

SmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.05 Å) Sm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sm and eight equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are one shorter (2.58 Å) and four longer (3.02 Å) Ga–Ga bond lengths.

Publication Date:
Other Number(s):
mp-19988
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; SmGa5Co; Co-Ga-Sm
OSTI Identifier:
1195166
DOI:
https://doi.org/10.17188/1195166

Citation Formats

The Materials Project. Materials Data on SmGa5Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195166.
The Materials Project. Materials Data on SmGa5Co by Materials Project. United States. doi:https://doi.org/10.17188/1195166
The Materials Project. 2020. "Materials Data on SmGa5Co by Materials Project". United States. doi:https://doi.org/10.17188/1195166. https://www.osti.gov/servlets/purl/1195166. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195166,
title = {Materials Data on SmGa5Co by Materials Project},
author = {The Materials Project},
abstractNote = {SmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.05 Å) Sm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sm and eight equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are one shorter (2.58 Å) and four longer (3.02 Å) Ga–Ga bond lengths.},
doi = {10.17188/1195166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}