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Title: Materials Data on Mg6SnMo by Materials Project

Abstract

Mg6MoSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Mo, and two equivalent Sn atoms to form distorted MgMg8Sn2Mo2 cuboctahedra that share corners with four equivalent MoMg10Sn2 cuboctahedra, corners with four equivalent SnMg10Mo2 cuboctahedra, corners with ten equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent MoMg10Sn2 cuboctahedra, edges with two equivalent SnMg10Mo2 cuboctahedra, edges with six MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with six MgMg8Sn2Mo2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.12 Å. There are one shorter (3.09 Å) and one longer (3.11 Å) Mg–Mo bond lengths. Both Mg–Sn bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Mo, and two equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 2.82–3.24 Å. Both Mg–Mo bond lengths are 3.04 Å. Both Mg–Sn bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedramore » that share corners with six equivalent MgMg10Sn2 cuboctahedra, edges with four equivalent SnMg10Mo2 cuboctahedra, edges with eight equivalent MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, faces with six MgMg8Sn2Mo2 cuboctahedra, and faces with six equivalent MoMg10Sn2 cuboctahedra. Both Mg–Mg bond lengths are 2.99 Å. Both Mg–Sn bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.05 Å. Mo is bonded to ten Mg and two equivalent Sn atoms to form MoMg10Sn2 cuboctahedra that share corners with four equivalent SnMg10Mo2 cuboctahedra, corners with six equivalent MoMg10Sn2 cuboctahedra, corners with eight equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent SnMg10Mo2 cuboctahedra, edges with four equivalent MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with ten MgMg8Sn2Mo2 cuboctahedra. Both Mo–Sn bond lengths are 2.99 Å. Sn is bonded to ten Mg and two equivalent Mo atoms to form SnMg10Mo2 cuboctahedra that share corners with four equivalent MoMg10Sn2 cuboctahedra, corners with six equivalent SnMg10Mo2 cuboctahedra, corners with eight equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent MoMg10Sn2 cuboctahedra, edges with eight MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with six MgMg8Sn2Mo2 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1021396
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; Mg6SnMo; Mg-Mo-Sn
OSTI Identifier:
1672123
DOI:
https://doi.org/10.17188/1672123

Citation Formats

The Materials Project. Materials Data on Mg6SnMo by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672123.
The Materials Project. Materials Data on Mg6SnMo by Materials Project. United States. doi:https://doi.org/10.17188/1672123
The Materials Project. 2017. "Materials Data on Mg6SnMo by Materials Project". United States. doi:https://doi.org/10.17188/1672123. https://www.osti.gov/servlets/purl/1672123. Pub date:Thu Apr 13 00:00:00 EDT 2017
@article{osti_1672123,
title = {Materials Data on Mg6SnMo by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6MoSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Mo, and two equivalent Sn atoms to form distorted MgMg8Sn2Mo2 cuboctahedra that share corners with four equivalent MoMg10Sn2 cuboctahedra, corners with four equivalent SnMg10Mo2 cuboctahedra, corners with ten equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent MoMg10Sn2 cuboctahedra, edges with two equivalent SnMg10Mo2 cuboctahedra, edges with six MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with six MgMg8Sn2Mo2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.12 Å. There are one shorter (3.09 Å) and one longer (3.11 Å) Mg–Mo bond lengths. Both Mg–Sn bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Mo, and two equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 2.82–3.24 Å. Both Mg–Mo bond lengths are 3.04 Å. Both Mg–Sn bond lengths are 3.12 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Sn atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with six equivalent MgMg10Sn2 cuboctahedra, edges with four equivalent SnMg10Mo2 cuboctahedra, edges with eight equivalent MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, faces with six MgMg8Sn2Mo2 cuboctahedra, and faces with six equivalent MoMg10Sn2 cuboctahedra. Both Mg–Mg bond lengths are 2.99 Å. Both Mg–Sn bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.05 Å. Mo is bonded to ten Mg and two equivalent Sn atoms to form MoMg10Sn2 cuboctahedra that share corners with four equivalent SnMg10Mo2 cuboctahedra, corners with six equivalent MoMg10Sn2 cuboctahedra, corners with eight equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent SnMg10Mo2 cuboctahedra, edges with four equivalent MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with ten MgMg8Sn2Mo2 cuboctahedra. Both Mo–Sn bond lengths are 2.99 Å. Sn is bonded to ten Mg and two equivalent Mo atoms to form SnMg10Mo2 cuboctahedra that share corners with four equivalent MoMg10Sn2 cuboctahedra, corners with six equivalent SnMg10Mo2 cuboctahedra, corners with eight equivalent MgMg8Sn2Mo2 cuboctahedra, edges with two equivalent MoMg10Sn2 cuboctahedra, edges with eight MgMg8Sn2Mo2 cuboctahedra, faces with two equivalent MoMg10Sn2 cuboctahedra, faces with two equivalent SnMg10Mo2 cuboctahedra, and faces with six MgMg8Sn2Mo2 cuboctahedra.},
doi = {10.17188/1672123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}