Materials Data on K3BiTe3 by Materials Project

doi:10.17188/1203725

Title: Materials Data on K3BiTe3 by Materials Project

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Abstract

K3BiTe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 37–55°. There are three shorter (3.70 Å) and three longer (3.78 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–48°. There are three shorter (3.53 Å) and three longer (3.72 Å) K–Te bond lengths. In the third K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–47°. There are three shorter (3.54 Å) and three longer (3.73 Å) K–Te bond lengths. Bi3+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 2.92 Å. Te2- is bonded to six K1+ and one Bi3+ atom to form a mixture of distorted edge, corner, and face-sharing TeK6Bi pentagonalmore » bipyramids.« less

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-29379

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; K3BiTe3; Bi-K-Te

OSTI Identifier:: 1203725

DOI:: https://doi.org/10.17188/1203725

Citation Formats


                    The Materials Project. Materials Data on K3BiTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203725.

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                    The Materials Project. Materials Data on K3BiTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203725

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                    The Materials Project. 2020.  
"Materials Data on K3BiTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203725.  https://www.osti.gov/servlets/purl/1203725. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1203725,

  title        = {Materials Data on K3BiTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3BiTe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 37–55°. There are three shorter (3.70 Å) and three longer (3.78 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–48°. There are three shorter (3.53 Å) and three longer (3.72 Å) K–Te bond lengths. In the third K1+ site, K1+ is bonded to six equivalent Te2- atoms to form a mixture of distorted edge, corner, and face-sharing KTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–47°. There are three shorter (3.54 Å) and three longer (3.73 Å) K–Te bond lengths. Bi3+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Bi–Te bond lengths are 2.92 Å. Te2- is bonded to six K1+ and one Bi3+ atom to form a mixture of distorted edge, corner, and face-sharing TeK6Bi pentagonal bipyramids.},

  doi          = {10.17188/1203725},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203725

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