skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg3Bi2 by Materials Project

Abstract

Mg3Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Bi atoms to form distorted MgBi4 tetrahedra that share corners with six equivalent MgBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent MgBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are three shorter (2.95 Å) and one longer (3.04 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Bi atoms to form MgBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent MgBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Mg–Bi bond lengths are 3.18 Å. Bi is bonded to seven Mg atoms to form a mixture of distorted corner and edge-sharing BiMg7 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-569018
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; Mg3Bi2; Bi-Mg
OSTI Identifier:
1274898
DOI:
10.17188/1274898

Citation Formats

The Materials Project. Materials Data on Mg3Bi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274898.
The Materials Project. Materials Data on Mg3Bi2 by Materials Project. United States. doi:10.17188/1274898.
The Materials Project. 2020. "Materials Data on Mg3Bi2 by Materials Project". United States. doi:10.17188/1274898. https://www.osti.gov/servlets/purl/1274898. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274898,
title = {Materials Data on Mg3Bi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Bi atoms to form distorted MgBi4 tetrahedra that share corners with six equivalent MgBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent MgBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are three shorter (2.95 Å) and one longer (3.04 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Bi atoms to form MgBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent MgBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Mg–Bi bond lengths are 3.18 Å. Bi is bonded to seven Mg atoms to form a mixture of distorted corner and edge-sharing BiMg7 pentagonal bipyramids.},
doi = {10.17188/1274898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: