Materials Data on Tl2TeO6 by Materials Project

doi:10.17188/1192960

Title: Materials Data on Tl2TeO6 by Materials Project

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Abstract

Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent TlO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Tl–O bond distances ranging from 2.22–2.34 Å. In the second Tl3+ site, Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent TlO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Tl–O bond distances ranging from 2.25–2.36 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent TlO6 octahedra and edges with three equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There is three shorter (1.96 Å) and three longer (1.97 Å) Te–O bond length. In the second Te6+ site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-18191

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; Tl2TeO6; O-Te-Tl

OSTI Identifier:: 1192960

DOI:: https://doi.org/10.17188/1192960

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                    The Materials Project. Materials Data on Tl2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192960.

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                    The Materials Project. Materials Data on Tl2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192960

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                    The Materials Project. 2020.  
"Materials Data on Tl2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192960.  https://www.osti.gov/servlets/purl/1192960. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1192960,

  title        = {Materials Data on Tl2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent TlO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Tl–O bond distances ranging from 2.22–2.34 Å. In the second Tl3+ site, Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent TlO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–57°. There are a spread of Tl–O bond distances ranging from 2.25–2.36 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent TlO6 octahedra and edges with three equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There is three shorter (1.96 Å) and three longer (1.97 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent TlO6 octahedra and edges with three equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl3+ and one Te6+ atom.},

  doi          = {10.17188/1192960},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1192960

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