skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BPO4 by Materials Project

Abstract

BPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-11653
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; BPO4; B-O-P
OSTI Identifier:
1188129
DOI:
10.17188/1188129

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188129.
Persson, Kristin, & Project, Materials. Materials Data on BPO4 by Materials Project. United States. doi:10.17188/1188129.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BPO4 by Materials Project". United States. doi:10.17188/1188129. https://www.osti.gov/servlets/purl/1188129. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1188129,
title = {Materials Data on BPO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom.},
doi = {10.17188/1188129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: