Materials Data on Bi12SbO20 by Materials Project

doi:10.17188/1749365

Title: Materials Data on Bi12SbO20 by Materials Project

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Abstract

Bi12SbO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one SbO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.12–2.65 Å. Sb5+ is bonded to four equivalent O2- atoms to form SbO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Sb–O bond lengths are 2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Bi+2.92+ and one Sb5+ atom to form corner-sharing OBi3Sb tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1214312

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; Bi12SbO20; Bi-O-Sb

OSTI Identifier:: 1749365

DOI:: https://doi.org/10.17188/1749365

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                    The Materials Project. Materials Data on Bi12SbO20 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749365.

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                    The Materials Project. Materials Data on Bi12SbO20 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749365

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                    The Materials Project. 2020.  
"Materials Data on Bi12SbO20 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749365.  https://www.osti.gov/servlets/purl/1749365. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749365,

  title        = {Materials Data on Bi12SbO20 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi12SbO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one SbO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.12–2.65 Å. Sb5+ is bonded to four equivalent O2- atoms to form SbO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Sb–O bond lengths are 2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Bi+2.92+ and one Sb5+ atom to form corner-sharing OBi3Sb tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms.},

  doi          = {10.17188/1749365},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749365

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