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Title: Materials Data on AlPO4 by Materials Project

Abstract

AlPO4 crystallizes in the orthorhombic Cmcm 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 and edges with two equivalent AlO6 octahedra. There is two shorter (1.82 Å) and four longer (2.01 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-13024
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:
1189333
DOI:
https://doi.org/10.17188/1189333

Citation Formats

The Materials Project. Materials Data on AlPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189333.
The Materials Project. Materials Data on AlPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1189333
The Materials Project. 2020. "Materials Data on AlPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1189333. https://www.osti.gov/servlets/purl/1189333. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189333,
title = {Materials Data on AlPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPO4 crystallizes in the orthorhombic Cmcm 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 and edges with two equivalent AlO6 octahedra. There is two shorter (1.82 Å) and four longer (2.01 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom.},
doi = {10.17188/1189333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}