Materials Data on TaTl(GeO3)3 by Materials Project

doi:10.17188/1264494

Title: Materials Data on TaTl(GeO3)3 by Materials Project

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Abstract

TaTl(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ta–O bond lengths are 1.99 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 3.02 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ta5+, one Tl1+, and one Ge4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-540634

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; TaTl(GeO3)3; Ge-O-Ta-Tl

OSTI Identifier:: 1264494

DOI:: https://doi.org/10.17188/1264494

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                    The Materials Project. Materials Data on TaTl(GeO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264494.

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                    The Materials Project. Materials Data on TaTl(GeO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264494

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                    The Materials Project. 2020.  
"Materials Data on TaTl(GeO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264494.  https://www.osti.gov/servlets/purl/1264494. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1264494,

  title        = {Materials Data on TaTl(GeO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaTl(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ta–O bond lengths are 1.99 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 3.02 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ta5+, one Tl1+, and one Ge4+ atom.},

  doi          = {10.17188/1264494},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264494

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