Materials Data on CsIn(SO5)2 by Materials Project

doi:10.17188/1685874

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

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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 »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1213295

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; CsIn(SO5)2; Cs-In-O-S

OSTI Identifier:: 1685874

DOI:: https://doi.org/10.17188/1685874

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                    The Materials Project. Materials Data on CsIn(SO5)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685874.

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                    The Materials Project. Materials Data on CsIn(SO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685874

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1685874

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