Materials Data on Ga2Fe2Bi2O9 by Materials Project

doi:10.17188/1280849

Title: Materials Data on Ga2Fe2Bi2O9 by Materials Project

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Abstract

Bi2Fe2Ga2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Ga3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry tomore » two equivalent Fe3+ and one Ga3+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-649039

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; Ga2Fe2Bi2O9; Bi-Fe-Ga-O

OSTI Identifier:: 1280849

DOI:: https://doi.org/10.17188/1280849

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                    The Materials Project. Materials Data on Ga2Fe2Bi2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280849.

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                    The Materials Project. Materials Data on Ga2Fe2Bi2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280849

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                    The Materials Project. 2020.  
"Materials Data on Ga2Fe2Bi2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280849.  https://www.osti.gov/servlets/purl/1280849. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1280849,

  title        = {Materials Data on Ga2Fe2Bi2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Fe2Ga2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Ga3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one Ga3+ atom.},

  doi          = {10.17188/1280849},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280849

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