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Title: Materials Data on Sn2(SO4)3 by Materials Project

Abstract

Sn2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.46 Å) and three longer (2.53 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Sn–O bond lengths are 2.08 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–57°. There is two shorter (1.46 Å) and two longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom. Inmore » the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn3+ and one S6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768950
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; Sn2(SO4)3; O-S-Sn
OSTI Identifier:
1298565
DOI:
10.17188/1298565

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sn2(SO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298565.
Persson, Kristin, & Project, Materials. Materials Data on Sn2(SO4)3 by Materials Project. United States. doi:10.17188/1298565.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sn2(SO4)3 by Materials Project". United States. doi:10.17188/1298565. https://www.osti.gov/servlets/purl/1298565. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298565,
title = {Materials Data on Sn2(SO4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sn2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.46 Å) and three longer (2.53 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Sn–O bond lengths are 2.08 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four SnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–57°. There is two shorter (1.46 Å) and two longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn3+ and one S6+ atom.},
doi = {10.17188/1298565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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