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Title: Materials Data on Th(PS3)2 by Materials Project

Abstract

Th(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one Th(PS3)2 ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.84 Å) and four longer (3.04 Å) Th–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.02 Å) and one longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Th4+ and one P4+ atom.

Publication Date:
Other Number(s):
mp-14249
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; Th(PS3)2; P-S-Th
OSTI Identifier:
1190579
DOI:
10.17188/1190579

Citation Formats

The Materials Project. Materials Data on Th(PS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190579.
The Materials Project. Materials Data on Th(PS3)2 by Materials Project. United States. doi:10.17188/1190579.
The Materials Project. 2020. "Materials Data on Th(PS3)2 by Materials Project". United States. doi:10.17188/1190579. https://www.osti.gov/servlets/purl/1190579. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1190579,
title = {Materials Data on Th(PS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Th(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one Th(PS3)2 ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.84 Å) and four longer (3.04 Å) Th–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.02 Å) and one longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Th4+ and one P4+ atom.},
doi = {10.17188/1190579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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