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Title: Materials Data on Sc2(SO4)3 by Materials Project

Abstract

Sc2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Sc–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. All S–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-16800
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; Sc2(SO4)3; O-S-Sc
OSTI Identifier:
1192178
DOI:
https://doi.org/10.17188/1192178

Citation Formats

The Materials Project. Materials Data on Sc2(SO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192178.
The Materials Project. Materials Data on Sc2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192178
The Materials Project. 2020. "Materials Data on Sc2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192178. https://www.osti.gov/servlets/purl/1192178. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1192178,
title = {Materials Data on Sc2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Sc–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. All S–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom.},
doi = {10.17188/1192178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}