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Title: Materials Data on Th5Sn4 by Materials Project

Abstract

Th5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ThSn7 pentagonal bipyramids. There are a spread of Th–Sn bond distances ranging from 3.17–3.44 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Th–Sn bond lengths are 3.45 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Th atoms. In the second Sn site, Sn is bonded to six equivalent Th atoms to form distorted face-sharing SnTh6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-30874
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; Th5Sn4; Sn-Th
OSTI Identifier:
1205227
DOI:
https://doi.org/10.17188/1205227

Citation Formats

The Materials Project. Materials Data on Th5Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205227.
The Materials Project. Materials Data on Th5Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1205227
The Materials Project. 2020. "Materials Data on Th5Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1205227. https://www.osti.gov/servlets/purl/1205227. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205227,
title = {Materials Data on Th5Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {Th5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ThSn7 pentagonal bipyramids. There are a spread of Th–Sn bond distances ranging from 3.17–3.44 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Th–Sn bond lengths are 3.45 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Th atoms. In the second Sn site, Sn is bonded to six equivalent Th atoms to form distorted face-sharing SnTh6 octahedra.},
doi = {10.17188/1205227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}