Materials Data on K3Li3TeO6 by Materials Project

doi:10.17188/1271633

Title: Materials Data on K3Li3TeO6 by Materials Project

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Abstract

K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to three O2- atoms. There are one shorter (2.73 Å) and two longer (2.74 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.54–2.88 Å. In the third 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 2.63–2.90 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.13 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–1.99 Å. There are four inequivalent O2- sites. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-560739

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; K3Li3TeO6; K-Li-O-Te

OSTI Identifier:: 1271633

DOI:: https://doi.org/10.17188/1271633

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                    The Materials Project. Materials Data on K3Li3TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271633.

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                    The Materials Project. Materials Data on K3Li3TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271633

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                    The Materials Project. 2020.  
"Materials Data on K3Li3TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271633.  https://www.osti.gov/servlets/purl/1271633. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1271633,

  title        = {Materials Data on K3Li3TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to three O2- atoms. There are one shorter (2.73 Å) and two longer (2.74 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.54–2.88 Å. In the third 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 2.63–2.90 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.13 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.96–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two K1+, two equivalent Li1+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 7-coordinate geometry to four K1+, two Li1+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two Li1+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal bipyramidal geometry to two K1+, two equivalent Li1+, and one Te6+ atom.},

  doi          = {10.17188/1271633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271633

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