Materials Data on K2Te2O5 by Materials Project

doi:10.17188/1203264

Title: Materials Data on K2Te2O5 by Materials Project

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Abstract

K2Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.23 Å. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Te–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-29129

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; K2Te2O5; K-O-Te

OSTI Identifier:: 1203264

DOI:: https://doi.org/10.17188/1203264

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                    The Materials Project. Materials Data on K2Te2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203264.

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                    The Materials Project. Materials Data on K2Te2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203264

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                    The Materials Project. 2020.  
"Materials Data on K2Te2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203264.  https://www.osti.gov/servlets/purl/1203264. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1203264,

  title        = {Materials Data on K2Te2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.23 Å. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Te–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four K1+ and two equivalent Te4+ atoms.},

  doi          = {10.17188/1203264},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1203264

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