Materials Data on BiO2 by Materials Project

doi:10.17188/1270113

Title: Materials Data on BiO2 by Materials Project

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Abstract

BiO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.21 Å) and two longer (2.33 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Bi–O bond distances ranging from 2.12–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Bi atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Bi atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-557993

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; BiO2; Bi-O

OSTI Identifier:: 1270113

DOI:: https://doi.org/10.17188/1270113

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                    The Materials Project. Materials Data on BiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270113.

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                    The Materials Project. Materials Data on BiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270113

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                    The Materials Project. 2020.  
"Materials Data on BiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270113.  https://www.osti.gov/servlets/purl/1270113. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1270113,

  title        = {Materials Data on BiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.21 Å) and two longer (2.33 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Bi–O bond distances ranging from 2.12–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Bi atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Bi atoms.},

  doi          = {10.17188/1270113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1270113

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