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

Abstract

ThRu2P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 1-coordinate geometry to five Ru and eight P atoms. There are a spread of Th–Ru bond distances ranging from 3.11–3.26 Å. There are a spread of Th–P bond distances ranging from 2.89–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Th and four P atoms. There are a spread of Ru–P bond distances ranging from 2.24–2.46 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three equivalent Th and five P atoms. There are a spread of Ru–P bond distances ranging from 2.36–2.58 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to four equivalent Th, four Ru, and two equivalent P atoms. Both P–P bond lengths are 2.61 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Th and five Ru atoms.

Publication Date:
Other Number(s):
mp-17364
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(PRu)2; P-Ru-Th
OSTI Identifier:
1192467
DOI:
https://doi.org/10.17188/1192467

Citation Formats

The Materials Project. Materials Data on Th(PRu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192467.
The Materials Project. Materials Data on Th(PRu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1192467
The Materials Project. 2020. "Materials Data on Th(PRu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1192467. https://www.osti.gov/servlets/purl/1192467. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192467,
title = {Materials Data on Th(PRu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThRu2P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 1-coordinate geometry to five Ru and eight P atoms. There are a spread of Th–Ru bond distances ranging from 3.11–3.26 Å. There are a spread of Th–P bond distances ranging from 2.89–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Th and four P atoms. There are a spread of Ru–P bond distances ranging from 2.24–2.46 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three equivalent Th and five P atoms. There are a spread of Ru–P bond distances ranging from 2.36–2.58 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to four equivalent Th, four Ru, and two equivalent P atoms. Both P–P bond lengths are 2.61 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Th and five Ru atoms.},
doi = {10.17188/1192467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}