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Title: Materials Data on Sm(MgBi)2 by Materials Project

Abstract

SmMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent SmBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent SmBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–58°. There are three shorter (2.94 Å) and one longer (2.98 Å) Mg–Bi bond lengths. Sm is bonded to six equivalent Bi atoms to form SmBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent SmBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Sm–Bi bond lengths are 3.33 Å. Bi is bonded to four equivalent Mg and three equivalent Sm atoms to form a mixture of distorted corner and edge-sharing BiSm3Mg4 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1068021
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; Sm(MgBi)2; Bi-Mg-Sm
OSTI Identifier:
1753484
DOI:
https://doi.org/10.17188/1753484

Citation Formats

The Materials Project. Materials Data on Sm(MgBi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753484.
The Materials Project. Materials Data on Sm(MgBi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753484
The Materials Project. 2020. "Materials Data on Sm(MgBi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753484. https://www.osti.gov/servlets/purl/1753484. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753484,
title = {Materials Data on Sm(MgBi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent SmBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent SmBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–58°. There are three shorter (2.94 Å) and one longer (2.98 Å) Mg–Bi bond lengths. Sm is bonded to six equivalent Bi atoms to form SmBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent SmBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Sm–Bi bond lengths are 3.33 Å. Bi is bonded to four equivalent Mg and three equivalent Sm atoms to form a mixture of distorted corner and edge-sharing BiSm3Mg4 pentagonal bipyramids.},
doi = {10.17188/1753484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}