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Title: Materials Data on SmGaSb2 by Materials Project

Abstract

SmGaSb2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to six Sb3- atoms to form SmSb6 octahedra that share corners with six equivalent SmSb6 octahedra, edges with four equivalent SmSb6 octahedra, and edges with eight equivalent GaSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Sm–Sb bond lengths. Ga3+ is bonded to six Sb3- atoms to form GaSb6 octahedra that share corners with six equivalent GaSb6 octahedra, edges with four equivalent GaSb6 octahedra, and edges with eight equivalent SmSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Ga–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing SbSm4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Sb3- site, Sb3- is bonded to two equivalent Sm3+ and four equivalent Ga3+ atoms to form SbSm2Ga4 octahedra that share corners with six equivalent SbSm2Ga4 octahedra and edges with twelve SbSm4Ga2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1219004
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:
1725098
DOI:
https://doi.org/10.17188/1725098

Citation Formats

The Materials Project. Materials Data on SmGaSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1725098.
The Materials Project. Materials Data on SmGaSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1725098
The Materials Project. 2020. "Materials Data on SmGaSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1725098. https://www.osti.gov/servlets/purl/1725098. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1725098,
title = {Materials Data on SmGaSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmGaSb2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to six Sb3- atoms to form SmSb6 octahedra that share corners with six equivalent SmSb6 octahedra, edges with four equivalent SmSb6 octahedra, and edges with eight equivalent GaSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Sm–Sb bond lengths. Ga3+ is bonded to six Sb3- atoms to form GaSb6 octahedra that share corners with six equivalent GaSb6 octahedra, edges with four equivalent GaSb6 octahedra, and edges with eight equivalent SmSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.07 Å) and two longer (3.15 Å) Ga–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Sm3+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing SbSm4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Sb3- site, Sb3- is bonded to two equivalent Sm3+ and four equivalent Ga3+ atoms to form SbSm2Ga4 octahedra that share corners with six equivalent SbSm2Ga4 octahedra and edges with twelve SbSm4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1725098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}