Materials Data on K6InTe4Cl by Materials Project

doi:10.17188/1274805

Title: Materials Data on K6InTe4Cl by Materials Project

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Abstract

K6InTe4Cl 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 6-coordinate geometry to four Te2- and two equivalent Cl1- atoms. There are a spread of K–Te bond distances ranging from 3.52–4.17 Å. There are one shorter (3.16 Å) and one longer (3.25 Å) K–Cl bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.20 Å. In3+ is bonded in a tetrahedral geometry to four Te2- atoms. There are three shorter (2.82 Å) and one longer (2.83 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to nine K1+ and one In3+ atom. Cl1- is bonded to six equivalent K1+ atoms to form face-sharing ClK6 octahedra.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-568916

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; K6InTe4Cl; Cl-In-K-Te

OSTI Identifier:: 1274805

DOI:: https://doi.org/10.17188/1274805

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                    The Materials Project. Materials Data on K6InTe4Cl by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1274805.

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                    The Materials Project. Materials Data on K6InTe4Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1274805

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                    The Materials Project. 2017.  
"Materials Data on K6InTe4Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1274805.  https://www.osti.gov/servlets/purl/1274805. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1274805,

  title        = {Materials Data on K6InTe4Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K6InTe4Cl 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 6-coordinate geometry to four Te2- and two equivalent Cl1- atoms. There are a spread of K–Te bond distances ranging from 3.52–4.17 Å. There are one shorter (3.16 Å) and one longer (3.25 Å) K–Cl bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.20 Å. In3+ is bonded in a tetrahedral geometry to four Te2- atoms. There are three shorter (2.82 Å) and one longer (2.83 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to nine K1+ and one In3+ atom. Cl1- is bonded to six equivalent K1+ atoms to form face-sharing ClK6 octahedra.},

  doi          = {10.17188/1274805},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1274805

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