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Title: Materials Data on Sm6GaCo2 by Materials Project

Abstract

Sm6Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two Ga atoms. There are one shorter (2.74 Å) and one longer (3.33 Å) Sm–Co bond lengths. There are one shorter (3.06 Å) and one longer (3.26 Å) Sm–Ga bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to three Co and two Ga atoms. There are two shorter (2.94 Å) and one longer (3.05 Å) Sm–Co bond lengths. There are one shorter (3.18 Å) and one longer (3.75 Å) Sm–Ga bond lengths. In the third Sm site, Sm is bonded in a 4-coordinate geometry to three Co and one Ga atom. There are one shorter (2.76 Å) and two longer (2.96 Å) Sm–Co bond lengths. The Sm–Ga bond length is 3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. The Co–Co bond length is 2.27 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Sm atoms.more » There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Sm atoms. In the second Ga site, Ga is bonded in a distorted cuboctahedral geometry to twelve Sm atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1005689
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; Sm6GaCo2; Co-Ga-Sm
OSTI Identifier:
1313564
DOI:
10.17188/1313564

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm6GaCo2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1313564.
Persson, Kristin, & Project, Materials. Materials Data on Sm6GaCo2 by Materials Project. United States. doi:10.17188/1313564.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Sm6GaCo2 by Materials Project". United States. doi:10.17188/1313564. https://www.osti.gov/servlets/purl/1313564. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1313564,
title = {Materials Data on Sm6GaCo2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm6Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two Ga atoms. There are one shorter (2.74 Å) and one longer (3.33 Å) Sm–Co bond lengths. There are one shorter (3.06 Å) and one longer (3.26 Å) Sm–Ga bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to three Co and two Ga atoms. There are two shorter (2.94 Å) and one longer (3.05 Å) Sm–Co bond lengths. There are one shorter (3.18 Å) and one longer (3.75 Å) Sm–Ga bond lengths. In the third Sm site, Sm is bonded in a 4-coordinate geometry to three Co and one Ga atom. There are one shorter (2.76 Å) and two longer (2.96 Å) Sm–Co bond lengths. The Sm–Ga bond length is 3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. The Co–Co bond length is 2.27 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Sm atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Sm atoms. In the second Ga site, Ga is bonded in a distorted cuboctahedral geometry to twelve Sm atoms.},
doi = {10.17188/1313564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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