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Title: Materials Data on Al(PO3)3 by Materials Project

Abstract

Al(PO3)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Al–O bond lengths are 1.89 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–33°. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-14011
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; Al(PO3)3; Al-O-P
OSTI Identifier:
1189878
DOI:
https://doi.org/10.17188/1189878

Citation Formats

The Materials Project. Materials Data on Al(PO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189878.
The Materials Project. Materials Data on Al(PO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1189878
The Materials Project. 2020. "Materials Data on Al(PO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1189878. https://www.osti.gov/servlets/purl/1189878. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1189878,
title = {Materials Data on Al(PO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al(PO3)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Al–O bond lengths are 1.89 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–33°. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.},
doi = {10.17188/1189878},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}