Materials Data on KRb3CdCl6 by Materials Project

doi:10.17188/1275549

Title: Materials Data on KRb3CdCl6 by Materials Project

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Abstract

Rb3KCdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.38–3.53 Å. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.14 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.69 Å. Cl1- is bonded to four equivalent Rb1+, one K1+, and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClKRb4Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-570158

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; KRb3CdCl6; Cd-Cl-K-Rb

OSTI Identifier:: 1275549

DOI:: https://doi.org/10.17188/1275549

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                    The Materials Project. Materials Data on KRb3CdCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275549.

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                    The Materials Project. Materials Data on KRb3CdCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275549

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                    The Materials Project. 2020.  
"Materials Data on KRb3CdCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275549.  https://www.osti.gov/servlets/purl/1275549. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275549,

  title        = {Materials Data on KRb3CdCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3KCdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.38–3.53 Å. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.14 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.69 Å. Cl1- is bonded to four equivalent Rb1+, one K1+, and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClKRb4Cd octahedra. The corner-sharing octahedra tilt angles range from 0–64°.},

  doi          = {10.17188/1275549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275549

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