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Title: Materials Data on Mg9Sn5 by Materials Project

Abstract

Mg9Sn5 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.04 Å. In the second Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.89–2.99 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fifth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.88–2.98 Å. In the sixth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharingmore » MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.06 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-31503
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; Mg9Sn5; Mg-Sn
OSTI Identifier:
1205712
DOI:
https://doi.org/10.17188/1205712

Citation Formats

The Materials Project. Materials Data on Mg9Sn5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205712.
The Materials Project. Materials Data on Mg9Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1205712
The Materials Project. 2020. "Materials Data on Mg9Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1205712. https://www.osti.gov/servlets/purl/1205712. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1205712,
title = {Materials Data on Mg9Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg9Sn5 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.04 Å. In the second Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.89–2.99 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.00–3.18 Å. In the fifth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.88–2.98 Å. In the sixth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 tetrahedra. There are a spread of Mg–Sn bond distances ranging from 2.90–3.06 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms. In the sixth Sn site, Sn is bonded in a 9-coordinate geometry to nine Mg atoms.},
doi = {10.17188/1205712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}