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Title: Materials Data on AlGa(PO4)2 by Materials Project

Abstract

GaAl(PO4)2 is quartz (alpha)-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Ga–O bond lengths are 1.84 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.75 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra and corners with two equivalent AlO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ 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 bent 150 degrees 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 Ga3+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1228948
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; AlGa(PO4)2; Al-Ga-O-P
OSTI Identifier:
1748836
DOI:
https://doi.org/10.17188/1748836

Citation Formats

The Materials Project. Materials Data on AlGa(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748836.
The Materials Project. Materials Data on AlGa(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748836
The Materials Project. 2020. "Materials Data on AlGa(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748836. https://www.osti.gov/servlets/purl/1748836. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748836,
title = {Materials Data on AlGa(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaAl(PO4)2 is quartz (alpha)-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Ga–O bond lengths are 1.84 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.75 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra and corners with two equivalent AlO4 tetrahedra. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ 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 bent 150 degrees 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 Ga3+ and one P5+ atom.},
doi = {10.17188/1748836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}