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Title: Materials Data on Mg3Sb2 by Materials Project

Abstract

Mg3Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six equivalent Sb3- atoms to form MgSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent MgSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Mg–Sb bond lengths are 3.12 Å. In the second Mg2+ site, Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent MgSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent MgSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–58°. There are three shorter (2.85 Å) and one longer (2.96 Å) Mg–Sb bond lengths. Sb3- is bonded to seven Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbMg7 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-2646
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; Mg3Sb2; Mg-Sb
OSTI Identifier:
1201174
DOI:
https://doi.org/10.17188/1201174

Citation Formats

The Materials Project. Materials Data on Mg3Sb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201174.
The Materials Project. Materials Data on Mg3Sb2 by Materials Project. United States. doi:https://doi.org/10.17188/1201174
The Materials Project. 2020. "Materials Data on Mg3Sb2 by Materials Project". United States. doi:https://doi.org/10.17188/1201174. https://www.osti.gov/servlets/purl/1201174. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201174,
title = {Materials Data on Mg3Sb2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six equivalent Sb3- atoms to form MgSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent MgSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Mg–Sb bond lengths are 3.12 Å. In the second Mg2+ site, Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent MgSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent MgSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–58°. There are three shorter (2.85 Å) and one longer (2.96 Å) Mg–Sb bond lengths. Sb3- is bonded to seven Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbMg7 pentagonal bipyramids.},
doi = {10.17188/1201174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}