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Title: Materials Data on Bi2P3(PbO4)3 by Materials Project

Abstract

Bi2P3(PbO4)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.61–3.11 Å. Bi+1.50+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.51–2.94 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.59 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+, two equivalent Bi+1.50+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+, one Bi+1.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+, two equivalent Bi+1.50+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-1214442
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; Bi2P3(PbO4)3; Bi-O-P-Pb
OSTI Identifier:
1710045
DOI:
https://doi.org/10.17188/1710045

Citation Formats

The Materials Project. Materials Data on Bi2P3(PbO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710045.
The Materials Project. Materials Data on Bi2P3(PbO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1710045
The Materials Project. 2020. "Materials Data on Bi2P3(PbO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1710045. https://www.osti.gov/servlets/purl/1710045. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1710045,
title = {Materials Data on Bi2P3(PbO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2P3(PbO4)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.61–3.11 Å. Bi+1.50+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.51–2.94 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.59 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+, two equivalent Bi+1.50+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+, one Bi+1.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+, two equivalent Bi+1.50+, and one P5+ atom.},
doi = {10.17188/1710045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}