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Title: Materials Data on Th2Se5 by Materials Project

Abstract

Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-2392
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; Th2Se5; Se-Th
OSTI Identifier:
1199805
DOI:
https://doi.org/10.17188/1199805

Citation Formats

The Materials Project. Materials Data on Th2Se5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199805.
The Materials Project. Materials Data on Th2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1199805
The Materials Project. 2020. "Materials Data on Th2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1199805. https://www.osti.gov/servlets/purl/1199805. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1199805,
title = {Materials Data on Th2Se5 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.},
doi = {10.17188/1199805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}