Materials Data on GaBPbO4 by Materials Project

doi:10.17188/1262732

Title: Materials Data on GaBPbO4 by Materials Project

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Abstract

PbGaBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form edge-sharing GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.91–2.12 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Pb2+ atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one B3+, and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-505743

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; GaBPbO4; B-Ga-O-Pb

OSTI Identifier:: 1262732

DOI:: https://doi.org/10.17188/1262732

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                    The Materials Project. Materials Data on GaBPbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262732.

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                    The Materials Project. Materials Data on GaBPbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262732

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                    The Materials Project. 2020.  
"Materials Data on GaBPbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262732.  https://www.osti.gov/servlets/purl/1262732. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1262732,

  title        = {Materials Data on GaBPbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbGaBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form edge-sharing GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.91–2.12 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Pb2+ atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one B3+, and one Pb2+ atom.},

  doi          = {10.17188/1262732},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262732

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