Materials Data on CrGa(BiO3)2 by Materials Project

doi:10.17188/1653288

Title: Materials Data on CrGa(BiO3)2 by Materials Project

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Abstract

CrGa(BiO3)2 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three shorter (2.01 Å) and three longer (2.06 Å) Cr–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three shorter (1.97 Å) and three longer (2.08 Å) Ga–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.35 Å) and three longer (2.47 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (2.46 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one Cr3+, one Ga3+, and two Bi3+ atoms. In the second O2- site, O2- is bonded in amore »« less

Publication Date:: Wed Jul 22 04:00:00 UTC 2020

Other Number(s):: mp-1226251

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi-Cr-Ga-O; CrGa(BiO3)2; crystal structure

OSTI Identifier:: 1653288

DOI:: https://doi.org/10.17188/1653288

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                    Materials Data on CrGa(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653288.

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                    Materials Data on CrGa(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653288

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                    2020.  
"Materials Data on CrGa(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653288.  https://www.osti.gov/servlets/purl/1653288. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1653288,

  title        = {Materials Data on CrGa(BiO3)2 by Materials Project},

  
  abstractNote = {CrGa(BiO3)2 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three shorter (2.01 Å) and three longer (2.06 Å) Cr–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three shorter (1.97 Å) and three longer (2.08 Å) Ga–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.35 Å) and three longer (2.47 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (2.46 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one Cr3+, one Ga3+, and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Cr3+, one Ga3+, and two Bi3+ atoms.},

  doi          = {10.17188/1653288},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 04:00:00 UTC 2020},

  month        = {Wed Jul 22 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1653288

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