Materials Data on Bi4(BO4)3 by Materials Project

doi:10.17188/1298631

Title: Materials Data on Bi4(BO4)3 by Materials Project

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Abstract

Bi4(BO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with eight equivalent BiO6 pentagonal pyramids. All B–O bond lengths are 1.48 Å. Bi+3.75+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with six equivalent BO4 tetrahedra and edges with three equivalent BiO6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.42 Å) Bi–O bond lengths. O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-769052

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; Bi4(BO4)3; B-Bi-O

OSTI Identifier:: 1298631

DOI:: https://doi.org/10.17188/1298631

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                    The Materials Project. Materials Data on Bi4(BO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298631.

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                    The Materials Project. Materials Data on Bi4(BO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298631

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                    The Materials Project. 2020.  
"Materials Data on Bi4(BO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298631.  https://www.osti.gov/servlets/purl/1298631. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1298631,

  title        = {Materials Data on Bi4(BO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi4(BO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with eight equivalent BiO6 pentagonal pyramids. All B–O bond lengths are 1.48 Å. Bi+3.75+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with six equivalent BO4 tetrahedra and edges with three equivalent BiO6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.42 Å) Bi–O bond lengths. O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms.},

  doi          = {10.17188/1298631},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298631

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