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

Abstract

Al2(SeO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.90 Å) and three longer (1.91 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.87 Å) and three longer (1.88 Å) Al–O bond length. Se6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Al3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom.

Publication Date:
Other Number(s):
mp-1203225
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:
1680967
DOI:
https://doi.org/10.17188/1680967

Citation Formats

The Materials Project. Materials Data on Al2(SeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680967.
The Materials Project. Materials Data on Al2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1680967
The Materials Project. 2020. "Materials Data on Al2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1680967. https://www.osti.gov/servlets/purl/1680967. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680967,
title = {Materials Data on Al2(SeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2(SeO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.90 Å) and three longer (1.91 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.87 Å) and three longer (1.88 Å) Al–O bond length. Se6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Al3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Al3+ and one Se6+ atom.},
doi = {10.17188/1680967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}