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Title: Materials Data on MgSn2 by Materials Project

Abstract

MgSn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to nine Sn atoms to form distorted MgSn9 cuboctahedra that share corners with six equivalent SnMg6Sn6 cuboctahedra, corners with fifteen equivalent MgSn9 cuboctahedra, edges with three equivalent SnMg6Sn6 cuboctahedra, and faces with five equivalent MgSn9 cuboctahedra. There are six shorter (3.27 Å) and three longer (3.37 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.30 Å. In the second Sn site, Sn is bonded to six equivalent Mg and six equivalent Sn atoms to form distorted SnMg6Sn6 cuboctahedra that share corners with twelve equivalent MgSn9 cuboctahedra, edges with six equivalent MgSn9 cuboctahedra, edges with six equivalent SnMg6Sn6 cuboctahedra, and faces with two equivalent SnMg6Sn6 cuboctahedra.

Publication Date:
Other Number(s):
mp-1094223
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; MgSn2; Mg-Sn
OSTI Identifier:
1759656
DOI:
https://doi.org/10.17188/1759656

Citation Formats

The Materials Project. Materials Data on MgSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759656.
The Materials Project. Materials Data on MgSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1759656
The Materials Project. 2020. "Materials Data on MgSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1759656. https://www.osti.gov/servlets/purl/1759656. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759656,
title = {Materials Data on MgSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to nine Sn atoms to form distorted MgSn9 cuboctahedra that share corners with six equivalent SnMg6Sn6 cuboctahedra, corners with fifteen equivalent MgSn9 cuboctahedra, edges with three equivalent SnMg6Sn6 cuboctahedra, and faces with five equivalent MgSn9 cuboctahedra. There are six shorter (3.27 Å) and three longer (3.37 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.30 Å. In the second Sn site, Sn is bonded to six equivalent Mg and six equivalent Sn atoms to form distorted SnMg6Sn6 cuboctahedra that share corners with twelve equivalent MgSn9 cuboctahedra, edges with six equivalent MgSn9 cuboctahedra, edges with six equivalent SnMg6Sn6 cuboctahedra, and faces with two equivalent SnMg6Sn6 cuboctahedra.},
doi = {10.17188/1759656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}