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Title: Materials Data on SmGa2Co3 by Materials Project

Abstract

SmCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. There are two shorter (2.87 Å) and four longer (2.88 Å) Sm–Co bond lengths. All Sm–Ga bond lengths are 3.44 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 3.04–3.25 Å. There are two shorter (3.10 Å) and four longer (3.11 Å) Sm–Ga bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoSm4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. All Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded to four equivalent Sm, four Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoSm4Ga4Co4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Co–Co bond lengths. All Co–Ga bondmore » lengths are 2.56 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Sm, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Sm, two Co, and four Ga atoms. All Co–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Sm, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Sm, six Co, and two Ga atoms. The Ga–Ga bond length is 2.85 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1188151
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SmGa2Co3; Co-Ga-Sm
OSTI Identifier:
1663567
DOI:
https://doi.org/10.17188/1663567

Citation Formats

The Materials Project. Materials Data on SmGa2Co3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663567.
The Materials Project. Materials Data on SmGa2Co3 by Materials Project. United States. doi:https://doi.org/10.17188/1663567
The Materials Project. 2019. "Materials Data on SmGa2Co3 by Materials Project". United States. doi:https://doi.org/10.17188/1663567. https://www.osti.gov/servlets/purl/1663567. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1663567,
title = {Materials Data on SmGa2Co3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. There are two shorter (2.87 Å) and four longer (2.88 Å) Sm–Co bond lengths. All Sm–Ga bond lengths are 3.44 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of Sm–Co bond distances ranging from 3.04–3.25 Å. There are two shorter (3.10 Å) and four longer (3.11 Å) Sm–Ga bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoSm4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. All Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded to four equivalent Sm, four Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoSm4Ga4Co4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.56 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Sm, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Sm, two Co, and four Ga atoms. All Co–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Sm, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Sm, six Co, and two Ga atoms. The Ga–Ga bond length is 2.85 Å.},
doi = {10.17188/1663567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}