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

Title: Materials Data on Al2(SeO4)3 by Materials Project

Abstract

Al2(SeO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent SeO4 tetrahedra. There is three shorter (1.91 Å) and three longer (1.92 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent SeO4 tetrahedra. There is three shorter (1.89 Å) and three longer (1.92 Å) Al–O bond length. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 29–43°. There are a spread of Se–O bond distances ranging from 1.65–1.68 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 Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and onemore » Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom.« less

Publication Date:
Other Number(s):
mp-756970
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; Al2(SeO4)3; Al-O-Se
OSTI Identifier:
1290674
DOI:
https://doi.org/10.17188/1290674

Citation Formats

The Materials Project. Materials Data on Al2(SeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290674.
The Materials Project. Materials Data on Al2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290674
The Materials Project. 2020. "Materials Data on Al2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290674. https://www.osti.gov/servlets/purl/1290674. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290674,
title = {Materials Data on Al2(SeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2(SeO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent SeO4 tetrahedra. There is three shorter (1.91 Å) and three longer (1.92 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent SeO4 tetrahedra. There is three shorter (1.89 Å) and three longer (1.92 Å) Al–O bond length. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 29–43°. There are a spread of Se–O bond distances ranging from 1.65–1.68 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 Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom.},
doi = {10.17188/1290674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}