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Title: Materials Data on In2(SO4)3 by Materials Project

Abstract

In2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. All In–O bond lengths are 2.16 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.15 Å) and three longer (2.17 Å) In–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 29–46°. There is one shorter (1.48 Å) and three longer (1.49 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 In3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom. In themore » fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom.« less

Publication Date:
Other Number(s):
mp-541450
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; In2(SO4)3; In-O-S
OSTI Identifier:
1265116
DOI:
https://doi.org/10.17188/1265116

Citation Formats

The Materials Project. Materials Data on In2(SO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1265116.
The Materials Project. Materials Data on In2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1265116
The Materials Project. 2020. "Materials Data on In2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1265116. https://www.osti.gov/servlets/purl/1265116. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1265116,
title = {Materials Data on In2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. All In–O bond lengths are 2.16 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.15 Å) and three longer (2.17 Å) In–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 29–46°. There is one shorter (1.48 Å) and three longer (1.49 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 In3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom.},
doi = {10.17188/1265116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}