Materials Data on K4CdCl6 by Materials Project

doi:10.17188/1199475

Title: Materials Data on K4CdCl6 by Materials Project

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Abstract

K4CdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.13 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.46 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded to five K1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-23392

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; K4CdCl6; Cd-Cl-K

OSTI Identifier:: 1199475

DOI:: https://doi.org/10.17188/1199475

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                    The Materials Project. Materials Data on K4CdCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199475.

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                    The Materials Project. Materials Data on K4CdCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199475

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                    The Materials Project. 2020.  
"Materials Data on K4CdCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199475.  https://www.osti.gov/servlets/purl/1199475. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1199475,

  title        = {Materials Data on K4CdCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K4CdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.13 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.46 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded to five K1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–65°.},

  doi          = {10.17188/1199475},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199475

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