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Title: Materials Data on Ba4Mg5Sn7 by Materials Project

Abstract

Ba4Mg5Sn7 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba4Mg5Sn7 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 2-coordinate geometry to one Mg and one Sn atom. The Ba–Mg bond length is 3.49 Å. The Ba–Sn bond length is 3.24 Å. In the second Ba site, Ba is bonded in a distorted linear geometry to two Sn atoms. There are one shorter (3.33 Å) and one longer (3.35 Å) Ba–Sn bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two Sn atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a linear geometry to two Sn atoms. Both Mg–Sn bond lengths are 2.90 Å. In the third Mg site, Mg is bonded in a distorted linear geometry to one Ba and one Sn atom. The Mg–Sn bond length is 2.80 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a linear geometry tomore » one Ba and one Mg atom. The Sn–Ba bond length is 3.35 Å. In the second Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. In the third Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. In the fourth Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. The Sn–Ba bond length is 3.33 Å. In the fifth Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. The Sn–Mg bond length is 2.82 Å. In the sixth Sn site, Sn is bonded in a linear geometry to two equivalent Mg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1215127
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; Ba4Mg5Sn7; Ba-Mg-Sn
OSTI Identifier:
1687897
DOI:
https://doi.org/10.17188/1687897

Citation Formats

The Materials Project. Materials Data on Ba4Mg5Sn7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687897.
The Materials Project. Materials Data on Ba4Mg5Sn7 by Materials Project. United States. doi:https://doi.org/10.17188/1687897
The Materials Project. 2019. "Materials Data on Ba4Mg5Sn7 by Materials Project". United States. doi:https://doi.org/10.17188/1687897. https://www.osti.gov/servlets/purl/1687897. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687897,
title = {Materials Data on Ba4Mg5Sn7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4Mg5Sn7 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba4Mg5Sn7 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 2-coordinate geometry to one Mg and one Sn atom. The Ba–Mg bond length is 3.49 Å. The Ba–Sn bond length is 3.24 Å. In the second Ba site, Ba is bonded in a distorted linear geometry to two Sn atoms. There are one shorter (3.33 Å) and one longer (3.35 Å) Ba–Sn bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two Sn atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a linear geometry to two Sn atoms. Both Mg–Sn bond lengths are 2.90 Å. In the third Mg site, Mg is bonded in a distorted linear geometry to one Ba and one Sn atom. The Mg–Sn bond length is 2.80 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. The Sn–Ba bond length is 3.35 Å. In the second Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. In the third Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. In the fourth Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. The Sn–Ba bond length is 3.33 Å. In the fifth Sn site, Sn is bonded in a linear geometry to one Ba and one Mg atom. The Sn–Mg bond length is 2.82 Å. In the sixth Sn site, Sn is bonded in a linear geometry to two equivalent Mg atoms.},
doi = {10.17188/1687897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}