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Title: Materials Data on Th2Se3 by Materials Project

Abstract

Th2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to seven Se atoms to form a mixture of distorted edge and corner-sharing ThSe7 pentagonal bipyramids. There are a spread of Th–Se bond distances ranging from 2.97–3.02 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to eight Se atoms. There are a spread of Th–Se bond distances ranging from 2.98–3.60 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded to five Th atoms to form a mixture of distorted edge and corner-sharing SeTh5 trigonal bipyramids. In the second Se site, Se is bonded to five Th atoms to form a mixture of edge and corner-sharing SeTh5 square pyramids. In the third Se site, Se is bonded in a distorted rectangular see-saw-like geometry to five Th atoms.

Authors:
Publication Date:
Other Number(s):
mp-1105994
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; Th2Se3; Se-Th
OSTI Identifier:
1705504
DOI:
https://doi.org/10.17188/1705504

Citation Formats

The Materials Project. Materials Data on Th2Se3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1705504.
The Materials Project. Materials Data on Th2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1705504
The Materials Project. 2018. "Materials Data on Th2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1705504. https://www.osti.gov/servlets/purl/1705504. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1705504,
title = {Materials Data on Th2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to seven Se atoms to form a mixture of distorted edge and corner-sharing ThSe7 pentagonal bipyramids. There are a spread of Th–Se bond distances ranging from 2.97–3.02 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to eight Se atoms. There are a spread of Th–Se bond distances ranging from 2.98–3.60 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded to five Th atoms to form a mixture of distorted edge and corner-sharing SeTh5 trigonal bipyramids. In the second Se site, Se is bonded to five Th atoms to form a mixture of edge and corner-sharing SeTh5 square pyramids. In the third Se site, Se is bonded in a distorted rectangular see-saw-like geometry to five Th atoms.},
doi = {10.17188/1705504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}