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Title: Materials Data on Bi2PO6 by Materials Project

Abstract

Bi2PO6 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.

Publication Date:
Other Number(s):
mp-756074
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; Bi2PO6; Bi-O-P
OSTI Identifier:
1290338
DOI:
10.17188/1290338

Citation Formats

The Materials Project. Materials Data on Bi2PO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290338.
The Materials Project. Materials Data on Bi2PO6 by Materials Project. United States. doi:10.17188/1290338.
The Materials Project. 2020. "Materials Data on Bi2PO6 by Materials Project". United States. doi:10.17188/1290338. https://www.osti.gov/servlets/purl/1290338. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1290338,
title = {Materials Data on Bi2PO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2PO6 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.},
doi = {10.17188/1290338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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