Materials Data on K6CdO4 by Materials Project

doi:10.17188/1192365

Title: Materials Data on K6CdO4 by Materials Project

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Abstract

K6CdO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.16 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with two equivalent CdO4 tetrahedra, corners with eight equivalent KO4 trigonal pyramids, and an edgeedge with one CdO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.71–2.93 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with six equivalent KO4 trigonal pyramids and edges with three equivalent KO4 trigonal pyramids. There are one shorter (2.24 Å) and three longer (2.30 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to seven K1+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Cd2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-17161

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; K6CdO4; Cd-K-O

OSTI Identifier:: 1192365

DOI:: https://doi.org/10.17188/1192365

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                    The Materials Project. Materials Data on K6CdO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192365.

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                    The Materials Project. Materials Data on K6CdO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192365

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                    The Materials Project. 2020.  
"Materials Data on K6CdO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192365.  https://www.osti.gov/servlets/purl/1192365. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1192365,

  title        = {Materials Data on K6CdO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K6CdO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.16 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with two equivalent CdO4 tetrahedra, corners with eight equivalent KO4 trigonal pyramids, and an edgeedge with one CdO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.71–2.93 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with six equivalent KO4 trigonal pyramids and edges with three equivalent KO4 trigonal pyramids. There are one shorter (2.24 Å) and three longer (2.30 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to seven K1+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Cd2+ atom.},

  doi          = {10.17188/1192365},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192365

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