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Title: Materials Data on AlPO4 by Materials Project

Abstract

AlPO4 is Low Tridymite-derived structured and crystallizes in the trigonal R-3 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 three shorter (1.75 Å) and one 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 four 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. In the third O2- site, O2- is bonded in a linear geometry to one Al3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-557604
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; AlPO4; Al-O-P
OSTI Identifier:
1269919
DOI:
https://doi.org/10.17188/1269919

Citation Formats

The Materials Project. Materials Data on AlPO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1269919.
The Materials Project. Materials Data on AlPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1269919
The Materials Project. 2017. "Materials Data on AlPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1269919. https://www.osti.gov/servlets/purl/1269919. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1269919,
title = {Materials Data on AlPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPO4 is Low Tridymite-derived structured and crystallizes in the trigonal R-3 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 three shorter (1.75 Å) and one 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 four 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. In the third O2- site, O2- is bonded in a linear geometry to one Al3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one P5+ atom.},
doi = {10.17188/1269919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}