Materials Data on GaTeO3F by Materials Project

doi:10.17188/1270592

Title: Materials Data on GaTeO3F by Materials Project

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Abstract

GaTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ga3+ is bonded to four O2- and two equivalent F1- atoms to form edge-sharing GaO4F2 octahedra. There are a spread of Ga–O bond distances ranging from 1.94–2.01 Å. There are one shorter (1.98 Å) and one longer (2.07 Å) Ga–F bond lengths. Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. F1- is bonded in a distorted water-like geometry to two equivalent Ga3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-558984

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; GaTeO3F; F-Ga-O-Te

OSTI Identifier:: 1270592

DOI:: https://doi.org/10.17188/1270592

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                    The Materials Project. Materials Data on GaTeO3F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270592.

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                    The Materials Project. Materials Data on GaTeO3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1270592

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                    The Materials Project. 2020.  
"Materials Data on GaTeO3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1270592.  https://www.osti.gov/servlets/purl/1270592. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1270592,

  title        = {Materials Data on GaTeO3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ga3+ is bonded to four O2- and two equivalent F1- atoms to form edge-sharing GaO4F2 octahedra. There are a spread of Ga–O bond distances ranging from 1.94–2.01 Å. There are one shorter (1.98 Å) and one longer (2.07 Å) Ga–F bond lengths. Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ga3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Te4+ atom. F1- is bonded in a distorted water-like geometry to two equivalent Ga3+ atoms.},

  doi          = {10.17188/1270592},

  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/10.17188/1270592

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