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Title: Materials Data on Mg6SnC by Materials Project

Abstract

MgMg5SnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two magnesium molecules, two methane molecules, and one Mg5Sn framework. In the Mg5Sn framework, there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. There are one shorter (3.09 Å) and one longer (3.10 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 3.05 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 2.98 Å. Sn is bonded in a distorted q6 geometry to ten Mg atoms.

Publication Date:
Other Number(s):
mp-1021540
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; Mg6SnC; C-Mg-Sn
OSTI Identifier:
1672113
DOI:
https://doi.org/10.17188/1672113

Citation Formats

The Materials Project. Materials Data on Mg6SnC by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672113.
The Materials Project. Materials Data on Mg6SnC by Materials Project. United States. doi:https://doi.org/10.17188/1672113
The Materials Project. 2017. "Materials Data on Mg6SnC by Materials Project". United States. doi:https://doi.org/10.17188/1672113. https://www.osti.gov/servlets/purl/1672113. Pub date:Thu Apr 13 00:00:00 EDT 2017
@article{osti_1672113,
title = {Materials Data on Mg6SnC by Materials Project},
author = {The Materials Project},
abstractNote = {MgMg5SnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two magnesium molecules, two methane molecules, and one Mg5Sn framework. In the Mg5Sn framework, there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. There are one shorter (3.09 Å) and one longer (3.10 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 3.05 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 2.98 Å. Sn is bonded in a distorted q6 geometry to ten Mg atoms.},
doi = {10.17188/1672113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}