Materials Data on K2TeI6 by Materials Project

doi:10.17188/1201887

Title: Materials Data on K2TeI6 by Materials Project

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Abstract

K2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.64–4.03 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. All Te–I bond lengths are 2.98 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted see-saw-like geometry to three equivalent K1+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-27688

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; K2TeI6; I-K-Te

OSTI Identifier:: 1201887

DOI:: https://doi.org/10.17188/1201887

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                    The Materials Project. Materials Data on K2TeI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201887.

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                    The Materials Project. Materials Data on K2TeI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201887

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                    The Materials Project. 2020.  
"Materials Data on K2TeI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201887.  https://www.osti.gov/servlets/purl/1201887. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1201887,

  title        = {Materials Data on K2TeI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.64–4.03 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. All Te–I bond lengths are 2.98 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted see-saw-like geometry to three equivalent K1+ and one Te4+ atom.},

  doi          = {10.17188/1201887},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201887

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