Materials Data on Al2Ga2Bi2O9 by Materials Project

doi:10.17188/1748939

Title: Materials Data on Al2Ga2Bi2O9 by Materials Project

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Abstract

Ga2Al2Bi2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.06 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent GaO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Al–O bond distances ranging from 1.76–1.82 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 linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ga3+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ga3+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, onemore » Al3+, and two equivalent Bi3+ atoms.« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1228996

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; Al2Ga2Bi2O9; Al-Bi-Ga-O

OSTI Identifier:: 1748939

DOI:: https://doi.org/10.17188/1748939

Citation Formats


                    The Materials Project. Materials Data on Al2Ga2Bi2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748939.

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                    The Materials Project. Materials Data on Al2Ga2Bi2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748939

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                    The Materials Project. 2020.  
"Materials Data on Al2Ga2Bi2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748939.  https://www.osti.gov/servlets/purl/1748939. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1748939,

  title        = {Materials Data on Al2Ga2Bi2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga2Al2Bi2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.06 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent GaO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Al–O bond distances ranging from 1.76–1.82 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 linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ga3+ and one Al3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ga3+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one Al3+, and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1748939},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748939

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