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Title: Materials Data on SmCoSb3 by Materials Project

Abstract

SmCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.19–3.34 Å. In the second Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.20–3.43 Å. Co1+ is bonded to six Sb1- atoms to form a mixture of corner, edge, and face-sharing CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Co–Sb bond distances ranging from 2.58–2.65 Å. There are five inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Sm2+ and two equivalent Co1+ atoms. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four Sm2+ and four equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.02–3.09 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Sm2+, two equivalent Co1+, and one Sb1- atom. The Sb–Sb bond length is 3.12 Å. Inmore » the fourth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+, four equivalent Co1+, and one Sb1- atom. In the fifth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+ and four equivalent Co1+ atoms.« less

Publication Date:
Other Number(s):
mp-569163
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; SmCoSb3; Co-Sb-Sm
OSTI Identifier:
1274963
DOI:
https://doi.org/10.17188/1274963

Citation Formats

The Materials Project. Materials Data on SmCoSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274963.
The Materials Project. Materials Data on SmCoSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1274963
The Materials Project. 2020. "Materials Data on SmCoSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1274963. https://www.osti.gov/servlets/purl/1274963. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274963,
title = {Materials Data on SmCoSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.19–3.34 Å. In the second Sm2+ site, Sm2+ is bonded in a 9-coordinate geometry to nine Sb1- atoms. There are a spread of Sm–Sb bond distances ranging from 3.20–3.43 Å. Co1+ is bonded to six Sb1- atoms to form a mixture of corner, edge, and face-sharing CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Co–Sb bond distances ranging from 2.58–2.65 Å. There are five inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Sm2+ and two equivalent Co1+ atoms. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four Sm2+ and four equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.02–3.09 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Sm2+, two equivalent Co1+, and one Sb1- atom. The Sb–Sb bond length is 3.12 Å. In the fourth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+, four equivalent Co1+, and one Sb1- atom. In the fifth Sb1- site, Sb1- is bonded in a 5-coordinate geometry to one Sm2+ and four equivalent Co1+ atoms.},
doi = {10.17188/1274963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}