Materials Data on CsLa(SO6)2 by Materials Project

doi:10.17188/1676204

Title: Materials Data on CsLa(SO6)2 by Materials Project

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Abstract

CsLa(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.42 Å. La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.38–2.77 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one La, and one S atom. In the second O site, O is bonded in a linear geometry to one La and one S atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1205125

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; CsLa(SO6)2; Cs-La-O-S

OSTI Identifier:: 1676204

DOI:: https://doi.org/10.17188/1676204

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                    The Materials Project. Materials Data on CsLa(SO6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676204.

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                    The Materials Project. Materials Data on CsLa(SO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676204

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                    The Materials Project. 2020.  
"Materials Data on CsLa(SO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676204.  https://www.osti.gov/servlets/purl/1676204. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1676204,

  title        = {Materials Data on CsLa(SO6)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsLa(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.42 Å. La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.38–2.77 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one La, and one S atom. In the second O site, O is bonded in a linear geometry to one La and one S atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two equivalent Cs, one La, and one S atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.31 Å) O–O bond length. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Cs and one O atom. In the eighth O site, O is bonded in a single-bond geometry to one S atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Cs and one La atom. In the tenth O site, O is bonded in a distorted water-like geometry to one La and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to one Cs, one La, and one S atom.},

  doi          = {10.17188/1676204},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676204

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