Materials Data on K2SnTe5 by Materials Project

doi:10.17188/1202203

Title: Materials Data on K2SnTe5 by Materials Project

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Abstract

K2SnTe5 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Te+0.80- atoms. There are four shorter (3.82 Å) and four longer (3.83 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. All K–Te bond lengths are 3.64 Å. Sn2+ is bonded in a tetrahedral geometry to four Te+0.80- atoms. All Sn–Te bond lengths are 2.82 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four K1+, one Sn2+, and one Te+0.80- atom. The Te–Te bond length is 3.05 Å. In the second Te+0.80- site, Te+0.80- is bonded in a square co-planar geometry to four Te+0.80- atoms. Both Te–Te bond lengths are 3.07 Å. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four K1+, one Sn2+, and one Te+0.80- atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-28080

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; K2SnTe5; K-Sn-Te

OSTI Identifier:: 1202203

DOI:: https://doi.org/10.17188/1202203

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                    The Materials Project. Materials Data on K2SnTe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202203.

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                    The Materials Project. Materials Data on K2SnTe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202203

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                    The Materials Project. 2020.  
"Materials Data on K2SnTe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202203.  https://www.osti.gov/servlets/purl/1202203. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202203,

  title        = {Materials Data on K2SnTe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2SnTe5 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Te+0.80- atoms. There are four shorter (3.82 Å) and four longer (3.83 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te+0.80- atoms. All K–Te bond lengths are 3.64 Å. Sn2+ is bonded in a tetrahedral geometry to four Te+0.80- atoms. All Sn–Te bond lengths are 2.82 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four K1+, one Sn2+, and one Te+0.80- atom. The Te–Te bond length is 3.05 Å. In the second Te+0.80- site, Te+0.80- is bonded in a square co-planar geometry to four Te+0.80- atoms. Both Te–Te bond lengths are 3.07 Å. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four K1+, one Sn2+, and one Te+0.80- atom.},

  doi          = {10.17188/1202203},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202203

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