Materials Data on Bi2Os2O7 by Materials Project

doi:10.17188/1267946

Title: Materials Data on Bi2Os2O7 by Materials Project

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Abstract

Os2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and edges with six equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Os–O bond lengths are 2.02 Å. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with six equivalent BiO8 hexagonal bipyramids and edges with six equivalent OsO6 octahedra. There are two shorter (2.26 Å) and six longer (2.59 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Os4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2017-05-09

Other Number(s):: mp-554545

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; Bi2Os2O7; Bi-O-Os

OSTI Identifier:: 1267946

DOI:: https://doi.org/10.17188/1267946

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                    The Materials Project. Materials Data on Bi2Os2O7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1267946.

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                    The Materials Project. Materials Data on Bi2Os2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267946

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                    The Materials Project. 2017.  
"Materials Data on Bi2Os2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267946.  https://www.osti.gov/servlets/purl/1267946. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1267946,

  title        = {Materials Data on Bi2Os2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Os2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and edges with six equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Os–O bond lengths are 2.02 Å. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with six equivalent BiO8 hexagonal bipyramids and edges with six equivalent OsO6 octahedra. There are two shorter (2.26 Å) and six longer (2.59 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Os4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra.},

  doi          = {10.17188/1267946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1267946

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