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Title: Materials Data on ThP2O9 by Materials Project

Abstract

ThP2O9 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Th–O bond distances ranging from 2.26–2.81 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.75 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Th and one P atom. In the second O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the fifth O site, O is bonded in a distorted linear geometry to one Th and one P atom.more » In the sixth O site, O is bonded in a linear geometry to one Th and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.34 Å. In the ninth O site, O is bonded in a water-like geometry to one Th and one O atom.« less

Publication Date:
Other Number(s):
mp-1196694
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; ThP2O9; O-P-Th
OSTI Identifier:
1655600
DOI:
https://doi.org/10.17188/1655600

Citation Formats

The Materials Project. Materials Data on ThP2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655600.
The Materials Project. Materials Data on ThP2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1655600
The Materials Project. 2019. "Materials Data on ThP2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1655600. https://www.osti.gov/servlets/purl/1655600. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655600,
title = {Materials Data on ThP2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {ThP2O9 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Th–O bond distances ranging from 2.26–2.81 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.75 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Th and one P atom. In the second O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the fifth O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the sixth O site, O is bonded in a linear geometry to one Th and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.34 Å. In the ninth O site, O is bonded in a water-like geometry to one Th and one O atom.},
doi = {10.17188/1655600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}