Materials Data on Cs(WCl3)3 by Materials Project

doi:10.17188/1274215

Title: Materials Data on Cs(WCl3)3 by Materials Project

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Abstract

Cs(WCl3)3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (3.65 Å) and three longer (3.68 Å) Cs–Cl bond lengths. W+2.67+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one W+2.67+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms.

Publication Date:: 2020-07-22

Other Number(s):: mp-568039

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Cs-W; Cs(WCl3)3; crystal structure

OSTI Identifier:: 1274215

DOI:: https://doi.org/10.17188/1274215

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                    Materials Data on Cs(WCl3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274215.

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                    Materials Data on Cs(WCl3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274215

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                    2020.  
"Materials Data on Cs(WCl3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274215.  https://www.osti.gov/servlets/purl/1274215. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1274215,

  title        = {Materials Data on Cs(WCl3)3 by Materials Project},

  
  abstractNote = {Cs(WCl3)3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (3.65 Å) and three longer (3.68 Å) Cs–Cl bond lengths. W+2.67+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.41–2.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one W+2.67+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+2.67+ atoms.},

  doi          = {10.17188/1274215},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274215

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