skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ThS2 by Materials Project

Abstract

ThS2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Th–S bond distances ranging from 2.81–3.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. In the second S2- site, S2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing STh4 tetrahedra.

Publication Date:
Other Number(s):
mp-1146
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; ThS2; S-Th
OSTI Identifier:
1187850
DOI:
10.17188/1187850

Citation Formats

The Materials Project. Materials Data on ThS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187850.
The Materials Project. Materials Data on ThS2 by Materials Project. United States. doi:10.17188/1187850.
The Materials Project. 2020. "Materials Data on ThS2 by Materials Project". United States. doi:10.17188/1187850. https://www.osti.gov/servlets/purl/1187850. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187850,
title = {Materials Data on ThS2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThS2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Th–S bond distances ranging from 2.81–3.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. In the second S2- site, S2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing STh4 tetrahedra.},
doi = {10.17188/1187850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: