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

Title: Materials Data on ThP2 by Materials Project

Abstract

PPTh 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 P2- atoms. There are a spread of Th–P bond distances ranging from 2.93–3.06 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing PTh5 trigonal bipyramids. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.40 Å.

Publication Date:
Other Number(s):
mp-1103645
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; ThP2; P-Th
OSTI Identifier:
1729212
DOI:
https://doi.org/10.17188/1729212

Citation Formats

The Materials Project. Materials Data on ThP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729212.
The Materials Project. Materials Data on ThP2 by Materials Project. United States. doi:https://doi.org/10.17188/1729212
The Materials Project. 2020. "Materials Data on ThP2 by Materials Project". United States. doi:https://doi.org/10.17188/1729212. https://www.osti.gov/servlets/purl/1729212. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729212,
title = {Materials Data on ThP2 by Materials Project},
author = {The Materials Project},
abstractNote = {PPTh 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 P2- atoms. There are a spread of Th–P bond distances ranging from 2.93–3.06 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to five equivalent Th4+ atoms to form a mixture of distorted edge and corner-sharing PTh5 trigonal bipyramids. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.40 Å.},
doi = {10.17188/1729212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}