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Title: Materials Data on ScS2NO8 by Materials Project

Abstract

(Sc(SO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Sc(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Sc(SO4)2 sheet, Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to 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-1209008
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; ScS2NO8; N-O-S-Sc
OSTI Identifier:
1740752
DOI:
https://doi.org/10.17188/1740752

Citation Formats

The Materials Project. Materials Data on ScS2NO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740752.
The Materials Project. Materials Data on ScS2NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1740752
The Materials Project. 2020. "Materials Data on ScS2NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1740752. https://www.osti.gov/servlets/purl/1740752. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740752,
title = {Materials Data on ScS2NO8 by Materials Project},
author = {The Materials Project},
abstractNote = {(Sc(SO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Sc(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Sc(SO4)2 sheet, Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to 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 = {10.17188/1740752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}