Materials Data on Bi2O3 by Materials Project

doi:10.17188/1349839

Title: Materials Data on Bi2O3 by Materials Project

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Abstract

Bi2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Bi3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.34–2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form OBi4 tetrahedra that share corners with six equivalent OBi6 octahedra, corners with six equivalent OBi4 tetrahedra, edges with three equivalent OBi6 octahedra, and edges with three equivalent OBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. In the second O2- site, O2- is bonded to six equivalent Bi3+ atoms to form OBi6 octahedra that share corners with twelve equivalent OBi4 tetrahedra, edges with six equivalent OBi6 octahedra, and edges with six equivalent OBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1017552

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; Bi2O3; Bi-O

OSTI Identifier:: 1349839

DOI:: https://doi.org/10.17188/1349839

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                    The Materials Project. Materials Data on Bi2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349839.

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                    The Materials Project. Materials Data on Bi2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349839

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                    The Materials Project. 2020.  
"Materials Data on Bi2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349839.  https://www.osti.gov/servlets/purl/1349839. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1349839,

  title        = {Materials Data on Bi2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Bi3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.34–2.68 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form OBi4 tetrahedra that share corners with six equivalent OBi6 octahedra, corners with six equivalent OBi4 tetrahedra, edges with three equivalent OBi6 octahedra, and edges with three equivalent OBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–57°. In the second O2- site, O2- is bonded to six equivalent Bi3+ atoms to form OBi6 octahedra that share corners with twelve equivalent OBi4 tetrahedra, edges with six equivalent OBi6 octahedra, and edges with six equivalent OBi4 tetrahedra.},

  doi          = {10.17188/1349839},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349839

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Materials Data on Bi2O3 by Materials Project

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