Materials Data on K2TeO6 by Materials Project

doi:10.17188/1663577

Title: Materials Data on K2TeO6 by Materials Project

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Abstract

K2TeO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six O atoms to form a mixture of distorted edge and corner-sharing KO6 pentagonal pyramids. There are a spread of K–O bond distances ranging from 2.71–2.85 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.69–3.05 Å. Te is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Te–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted square co-planar geometry to four K atoms. In the second O site, O is bonded in a distorted water-like geometry to one K and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to four K atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1199028

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; K2TeO6; K-O-Te

OSTI Identifier:: 1663577

DOI:: https://doi.org/10.17188/1663577

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                    The Materials Project. Materials Data on K2TeO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1663577.

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                    The Materials Project. Materials Data on K2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663577

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                    The Materials Project. 2019.  
"Materials Data on K2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663577.  https://www.osti.gov/servlets/purl/1663577. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1663577,

  title        = {Materials Data on K2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2TeO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six O atoms to form a mixture of distorted edge and corner-sharing KO6 pentagonal pyramids. There are a spread of K–O bond distances ranging from 2.71–2.85 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.69–3.05 Å. Te is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Te–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted square co-planar geometry to four K atoms. In the second O site, O is bonded in a distorted water-like geometry to one K and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to four K atoms.},

  doi          = {10.17188/1663577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1663577

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