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Title: Materials Data on P2PbO8 by Materials Project

Abstract

Pb(PO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Pb(PO3)2 framework. In the Pb(PO3)2 framework, Pb is bonded in a 4-coordinate geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom. 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 single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the fifth Omore » site, O is bonded in a bent 150 degrees geometry to two P atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom.« less

Publication Date:
Other Number(s):
mp-1200154
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; P2PbO8; O-P-Pb
OSTI Identifier:
1652298
DOI:
https://doi.org/10.17188/1652298

Citation Formats

The Materials Project. Materials Data on P2PbO8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652298.
The Materials Project. Materials Data on P2PbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1652298
The Materials Project. 2019. "Materials Data on P2PbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1652298. https://www.osti.gov/servlets/purl/1652298. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652298,
title = {Materials Data on P2PbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb(PO3)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Pb(PO3)2 framework. In the Pb(PO3)2 framework, Pb is bonded in a 4-coordinate geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.46 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom. 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 single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two P atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one Pb and one P atom.},
doi = {10.17188/1652298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}