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Title: Materials Data on SmGaSb2 by Materials Project

Abstract

SmGaSb2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.34 Å) Sm–Sb bond lengths. Ga3+ is bonded in a bent 120 degrees geometry to two equivalent Sb3- atoms. Both Ga–Sb bond lengths are 2.77 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.08 Å. In the second Sb3- site, Sb3- is bonded to four equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SbSm4Ga2 pentagonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10393
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; SmGaSb2; Ga-Sb-Sm
OSTI Identifier:
1187087
DOI:
10.17188/1187087

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmGaSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187087.
Persson, Kristin, & Project, Materials. Materials Data on SmGaSb2 by Materials Project. United States. doi:10.17188/1187087.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmGaSb2 by Materials Project". United States. doi:10.17188/1187087. https://www.osti.gov/servlets/purl/1187087. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187087,
title = {Materials Data on SmGaSb2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmGaSb2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.34 Å) Sm–Sb bond lengths. Ga3+ is bonded in a bent 120 degrees geometry to two equivalent Sb3- atoms. Both Ga–Sb bond lengths are 2.77 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.08 Å. In the second Sb3- site, Sb3- is bonded to four equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SbSm4Ga2 pentagonal pyramids.},
doi = {10.17188/1187087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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