Materials Data on CsLu(TaBr3)6 by Materials Project

doi:10.17188/1680320

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

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Abstract

CsLu(TaBr3)6 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 (4.07 Å) and six longer (4.14 Å) Cs–Br bond lengths. Lu is bonded in an octahedral geometry to six equivalent Br atoms. All Lu–Br bond lengths are 2.81 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 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Lu, and one Ta atom. 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:: 2020-04-29

Other Number(s):: mp-1213389

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; CsLu(TaBr3)6; Br-Cs-Lu-Ta

OSTI Identifier:: 1680320

DOI:: https://doi.org/10.17188/1680320

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                    The Materials Project. Materials Data on CsLu(TaBr3)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680320.

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                    The Materials Project. Materials Data on CsLu(TaBr3)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680320

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                    The Materials Project. 2020.  
"Materials Data on CsLu(TaBr3)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680320.  https://www.osti.gov/servlets/purl/1680320. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1680320,

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

  author       = {The Materials Project},

  abstractNote = {CsLu(TaBr3)6 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 (4.07 Å) and six longer (4.14 Å) Cs–Br bond lengths. Lu is bonded in an octahedral geometry to six equivalent Br atoms. All Lu–Br bond lengths are 2.81 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 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Lu, and one Ta atom. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.},

  doi          = {10.17188/1680320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1680320

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