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

Title: Materials Data on AlPO4 by Materials Project

Abstract

AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 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 Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3955
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; AlPO4; Al-O-P
OSTI Identifier:
1207674
DOI:
10.17188/1207674

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AlPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207674.
Persson, Kristin, & Project, Materials. Materials Data on AlPO4 by Materials Project. United States. doi:10.17188/1207674.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AlPO4 by Materials Project". United States. doi:10.17188/1207674. https://www.osti.gov/servlets/purl/1207674. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207674,
title = {Materials Data on AlPO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.76 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 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 Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.},
doi = {10.17188/1207674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: