Materials Data on LiTaGeO5 by Materials Project

doi:10.17188/1271267

Title: Materials Data on LiTaGeO5 by Materials Project

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Abstract

LiTaOGeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.07 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ta–O bond distances ranging from 1.92–2.04 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. All Ge–O bond lengths are 1.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-560104

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; LiTaGeO5; Ge-Li-O-Ta

OSTI Identifier:: 1271267

DOI:: https://doi.org/10.17188/1271267

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                    The Materials Project. Materials Data on LiTaGeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271267.

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                    The Materials Project. Materials Data on LiTaGeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271267

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                    The Materials Project. 2020.  
"Materials Data on LiTaGeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271267.  https://www.osti.gov/servlets/purl/1271267. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1271267,

  title        = {Materials Data on LiTaGeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTaOGeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.07 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ta–O bond distances ranging from 1.92–2.04 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. All Ge–O bond lengths are 1.77 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ta5+, and one Ge4+ atom.},

  doi          = {10.17188/1271267},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271267

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