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Title: Materials Data on P2O9 by Materials Project

Abstract

P2O9 is beta oxygen-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four P2O9 clusters. there are four inequivalent P sites. In the first P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.66 Å) P–O bond length. In the second P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.61–1.68 Å. In the third P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.62–1.67 Å. In the fourth P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.63–1.67 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the thirdmore » O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eighth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eleventh O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.46 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the fourteenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-31272
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; P2O9; O-P
OSTI Identifier:
1205548
DOI:
https://doi.org/10.17188/1205548

Citation Formats

The Materials Project. Materials Data on P2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205548.
The Materials Project. Materials Data on P2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1205548
The Materials Project. 2020. "Materials Data on P2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1205548. https://www.osti.gov/servlets/purl/1205548. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1205548,
title = {Materials Data on P2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {P2O9 is beta oxygen-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four P2O9 clusters. there are four inequivalent P sites. In the first P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.66 Å) P–O bond length. In the second P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.61–1.68 Å. In the third P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.62–1.67 Å. In the fourth P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.63–1.67 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eighth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eleventh O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.46 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the fourteenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom.},
doi = {10.17188/1205548},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}