Materials Data on TlCr(SO10)2 by Materials Project

doi:10.17188/1718791

Title: Materials Data on TlCr(SO10)2 by Materials Project

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Abstract

TlCrO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight sulfuric acid molecules, four thallium molecules, and four CrO12 clusters. In each CrO12 cluster, Cr is bonded in an octahedral geometry to six equivalent O atoms. All Cr–O bond lengths are 2.09 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cr and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one O atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209098

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; TlCr(SO10)2; Cr-O-S-Tl

OSTI Identifier:: 1718791

DOI:: https://doi.org/10.17188/1718791

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                    The Materials Project. Materials Data on TlCr(SO10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718791.

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                    The Materials Project. Materials Data on TlCr(SO10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718791

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                    The Materials Project. 2020.  
"Materials Data on TlCr(SO10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718791.  https://www.osti.gov/servlets/purl/1718791. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1718791,

  title        = {Materials Data on TlCr(SO10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlCrO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight sulfuric acid molecules, four thallium molecules, and four CrO12 clusters. In each CrO12 cluster, Cr is bonded in an octahedral geometry to six equivalent O atoms. All Cr–O bond lengths are 2.09 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cr and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1718791},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1718791

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