Materials Data on Bi2SeO2 by Materials Project

doi:10.17188/1267566

Title: Materials Data on Bi2SeO2 by Materials Project

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Abstract

Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-552265

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; Bi2SeO2; Bi-O-Se

OSTI Identifier:: 1267566

DOI:: https://doi.org/10.17188/1267566

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                    The Materials Project. Materials Data on Bi2SeO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267566.

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                    The Materials Project. Materials Data on Bi2SeO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267566

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                    The Materials Project. 2020.  
"Materials Data on Bi2SeO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267566.  https://www.osti.gov/servlets/purl/1267566. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1267566,

  title        = {Materials Data on Bi2SeO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2O2Se crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to one Se2- and four equivalent O2- atoms. The Bi–Se bond length is 3.30 Å. All Bi–O bond lengths are 2.90 Å. Se2- is bonded in a square co-planar geometry to two equivalent Bi3+ and four equivalent O2- atoms. All Se–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing OBi4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1267566},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267566

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