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Title: Materials Data on Na5TlSn3 by Materials Project

Abstract

Na5TlSn3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to four Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.18–3.61 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to one Tl and four Sn atoms. The Na–Tl bond length is 3.34 Å. There are a spread of Na–Sn bond distances ranging from 3.30–3.71 Å. In the third Na site, Na is bonded in a 5-coordinate geometry to two equivalent Tl and three Sn atoms. There are one shorter (3.23 Å) and one longer (3.40 Å) Na–Tl bond lengths. There are a spread of Na–Sn bond distances ranging from 3.17–3.39 Å. In the fourth Na site, Na is bonded in a 2-coordinate geometry to two equivalent Tl and five Sn atoms. There are one shorter (3.24 Å) and one longer (3.76 Å) Na–Tl bond lengths. There are a spread of Na–Sn bond distances ranging from 3.19–3.66 Å. In the fifth Na site, Na is bonded in a 4-coordinate geometry to one Tl and five Sn atoms. The Na–Tl bond length ismore » 3.24 Å. There are a spread of Na–Sn bond distances ranging from 3.26–3.69 Å. Tl is bonded in a 9-coordinate geometry to six Na and three Sn atoms. There are two shorter (3.18 Å) and one longer (3.21 Å) Tl–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms. The Sn–Sn bond length is 2.96 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms.« less

Publication Date:
Other Number(s):
mp-31483
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; Na5TlSn3; Na-Sn-Tl
OSTI Identifier:
1205696
DOI:
https://doi.org/10.17188/1205696

Citation Formats

The Materials Project. Materials Data on Na5TlSn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205696.
The Materials Project. Materials Data on Na5TlSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1205696
The Materials Project. 2020. "Materials Data on Na5TlSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1205696. https://www.osti.gov/servlets/purl/1205696. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1205696,
title = {Materials Data on Na5TlSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na5TlSn3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to four Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.18–3.61 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to one Tl and four Sn atoms. The Na–Tl bond length is 3.34 Å. There are a spread of Na–Sn bond distances ranging from 3.30–3.71 Å. In the third Na site, Na is bonded in a 5-coordinate geometry to two equivalent Tl and three Sn atoms. There are one shorter (3.23 Å) and one longer (3.40 Å) Na–Tl bond lengths. There are a spread of Na–Sn bond distances ranging from 3.17–3.39 Å. In the fourth Na site, Na is bonded in a 2-coordinate geometry to two equivalent Tl and five Sn atoms. There are one shorter (3.24 Å) and one longer (3.76 Å) Na–Tl bond lengths. There are a spread of Na–Sn bond distances ranging from 3.19–3.66 Å. In the fifth Na site, Na is bonded in a 4-coordinate geometry to one Tl and five Sn atoms. The Na–Tl bond length is 3.24 Å. There are a spread of Na–Sn bond distances ranging from 3.26–3.69 Å. Tl is bonded in a 9-coordinate geometry to six Na and three Sn atoms. There are two shorter (3.18 Å) and one longer (3.21 Å) Tl–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms. There are one shorter (3.00 Å) and one longer (3.03 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms. The Sn–Sn bond length is 2.96 Å. In the third Sn site, Sn is bonded in a 10-coordinate geometry to seven Na, one Tl, and two Sn atoms.},
doi = {10.17188/1205696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}