Materials Data on Ga4GeO8 by Materials Project

doi:10.17188/1203844

Title: Materials Data on Ga4GeO8 by Materials Project

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Abstract

Ga4GeO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five equivalent GaO6 octahedra, and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–70°. There are a spread of Ga–O bond distances ranging from 1.84–1.90 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent GeO6 octahedra, corners with five equivalent GaO4 tetrahedra, and edges with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ga–O bond distances ranging from 1.94–2.11 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent GaO6 octahedra, corners with four equivalent GaO4 tetrahedra, and edges with two equivalent GeO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.86 Å) and four longer (1.98 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-29455

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; Ga4GeO8; Ga-Ge-O

OSTI Identifier:: 1203844

DOI:: https://doi.org/10.17188/1203844

Citation Formats


                    The Materials Project. Materials Data on Ga4GeO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203844.

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                    The Materials Project. Materials Data on Ga4GeO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203844

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                    The Materials Project. 2020.  
"Materials Data on Ga4GeO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203844.  https://www.osti.gov/servlets/purl/1203844. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203844,

  title        = {Materials Data on Ga4GeO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga4GeO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five equivalent GaO6 octahedra, and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–70°. There are a spread of Ga–O bond distances ranging from 1.84–1.90 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent GeO6 octahedra, corners with five equivalent GaO4 tetrahedra, and edges with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ga–O bond distances ranging from 1.94–2.11 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent GaO6 octahedra, corners with four equivalent GaO4 tetrahedra, and edges with two equivalent GeO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.86 Å) and four longer (1.98 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ga3+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded to four Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa4 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ga3+ and one Ge4+ atom.},

  doi          = {10.17188/1203844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203844

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