Materials Data on CsEr(TaBr3)6 by Materials Project

doi:10.17188/1276050

Title: Materials Data on CsEr(TaBr3)6 by Materials Project

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Abstract

CsErTa6Br18 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Br atoms. There are six shorter (4.09 Å) and six longer (4.17 Å) Cs–Br bond lengths. Er is bonded in an octahedral geometry to six equivalent Br atoms. All Er–Br bond lengths are 2.83 Å. Ta is bonded in a 5-coordinate geometry to five Br atoms. There are a spread of Ta–Br bond distances ranging from 2.61–3.02 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Er, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-571010

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; CsEr(TaBr3)6; Br-Cs-Er-Ta

OSTI Identifier:: 1276050

DOI:: https://doi.org/10.17188/1276050

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                    The Materials Project. Materials Data on CsEr(TaBr3)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276050.

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                    The Materials Project. Materials Data on CsEr(TaBr3)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276050

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                    The Materials Project. 2020.  
"Materials Data on CsEr(TaBr3)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276050.  https://www.osti.gov/servlets/purl/1276050. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1276050,

  title        = {Materials Data on CsEr(TaBr3)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsErTa6Br18 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Br atoms. There are six shorter (4.09 Å) and six longer (4.17 Å) Cs–Br bond lengths. Er is bonded in an octahedral geometry to six equivalent Br atoms. All Er–Br bond lengths are 2.83 Å. Ta is bonded in a 5-coordinate geometry to five Br atoms. There are a spread of Ta–Br bond distances ranging from 2.61–3.02 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Er, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.},

  doi          = {10.17188/1276050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276050

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