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Title: Materials Data on Mg14SnC by Materials Project

Abstract

Mg14SnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.24 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.21 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one C atom. Both Mg–Mg bond lengths are 3.03 Å. The Mg–C bond length is 2.12 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to eleven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.36 Å. In the fifth Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one Sn atom. There are one shorter (3.16 Å) and one longer (3.17 Å) Mg–Mg bond lengths. The Mg–Sn bond length is 3.11 Å. In the sixth Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Sn atom. The Mg–Sn bondmore » length is 3.45 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg and one C atom. The Mg–C bond length is 2.24 Å. Sn is bonded in a distorted single-bond geometry to six Mg and one C atom. The Sn–C bond length is 2.29 Å. C is bonded in a trigonal bipyramidal geometry to four Mg and one Sn atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1026734
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; Mg14SnC; C-Mg-Sn
OSTI Identifier:
1753544
DOI:
https://doi.org/10.17188/1753544

Citation Formats

The Materials Project. Materials Data on Mg14SnC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753544.
The Materials Project. Materials Data on Mg14SnC by Materials Project. United States. doi:https://doi.org/10.17188/1753544
The Materials Project. 2020. "Materials Data on Mg14SnC by Materials Project". United States. doi:https://doi.org/10.17188/1753544. https://www.osti.gov/servlets/purl/1753544. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1753544,
title = {Materials Data on Mg14SnC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14SnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.24 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.21 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one C atom. Both Mg–Mg bond lengths are 3.03 Å. The Mg–C bond length is 2.12 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to eleven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.36 Å. In the fifth Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one Sn atom. There are one shorter (3.16 Å) and one longer (3.17 Å) Mg–Mg bond lengths. The Mg–Sn bond length is 3.11 Å. In the sixth Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one Sn atom. The Mg–Sn bond length is 3.45 Å. In the seventh Mg site, Mg is bonded in a single-bond geometry to two equivalent Mg and one C atom. The Mg–C bond length is 2.24 Å. Sn is bonded in a distorted single-bond geometry to six Mg and one C atom. The Sn–C bond length is 2.29 Å. C is bonded in a trigonal bipyramidal geometry to four Mg and one Sn atom.},
doi = {10.17188/1753544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}