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Title: Materials Data on Mg5Sn by Materials Project

Abstract

Mg5Sn crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with eighteen equivalent MgMg10Sn2 cuboctahedra, edges with four equivalent SnMg12 cuboctahedra, edges with fourteen MgMg10Sn2 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen MgMg10Sn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.21 Å. Both Mg–Sn bond lengths are 3.21 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sn atoms to form distorted MgMg9Sn3 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve equivalent MgMg9Sn3 cuboctahedra, edges with eighteen MgMg10Sn2 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen MgMg10Sn2 cuboctahedra. All Mg–Mg bond lengths are 3.19 Å. All Mg–Sn bond lengths are 3.19 Å. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve equivalent MgMg9Sn3 cuboctahedra, edges with six equivalent SnMg12 cuboctahedra, edges with twelve equivalent MgMg10Sn2 cuboctahedra, and faces with twenty MgMg10Sn2 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1094199
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; Mg5Sn; Mg-Sn
OSTI Identifier:
1748624
DOI:
https://doi.org/10.17188/1748624

Citation Formats

The Materials Project. Materials Data on Mg5Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748624.
The Materials Project. Materials Data on Mg5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1748624
The Materials Project. 2020. "Materials Data on Mg5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1748624. https://www.osti.gov/servlets/purl/1748624. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1748624,
title = {Materials Data on Mg5Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Sn crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with eighteen equivalent MgMg10Sn2 cuboctahedra, edges with four equivalent SnMg12 cuboctahedra, edges with fourteen MgMg10Sn2 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen MgMg10Sn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.21 Å. Both Mg–Sn bond lengths are 3.21 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sn atoms to form distorted MgMg9Sn3 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve equivalent MgMg9Sn3 cuboctahedra, edges with eighteen MgMg10Sn2 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen MgMg10Sn2 cuboctahedra. All Mg–Mg bond lengths are 3.19 Å. All Mg–Sn bond lengths are 3.19 Å. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra, corners with twelve equivalent MgMg9Sn3 cuboctahedra, edges with six equivalent SnMg12 cuboctahedra, edges with twelve equivalent MgMg10Sn2 cuboctahedra, and faces with twenty MgMg10Sn2 cuboctahedra.},
doi = {10.17188/1748624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}