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Title: Materials Data on CsIn(SO5)2 by Materials Project

Abstract

CsIn(SO5)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.59 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.17–2.19 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one In atom. In the second O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Cs, one In, and one S atom. In the fifth O site, O is bonded in a 2-coordinatemore » geometry to one Cs, one In, and one S atom.« less

Publication Date:
Other Number(s):
mp-1213295
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; CsIn(SO5)2; Cs-In-O-S
OSTI Identifier:
1685874
DOI:
https://doi.org/10.17188/1685874

Citation Formats

The Materials Project. Materials Data on CsIn(SO5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685874.
The Materials Project. Materials Data on CsIn(SO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685874
The Materials Project. 2019. "Materials Data on CsIn(SO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685874. https://www.osti.gov/servlets/purl/1685874. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685874,
title = {Materials Data on CsIn(SO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsIn(SO5)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.59 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.17–2.19 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one In atom. In the second O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Cs, one In, and one S atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Cs, one In, and one S atom.},
doi = {10.17188/1685874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}