Materials Data on BaOsO3 by Materials Project

doi:10.17188/1307508

Title: Materials Data on BaOsO3 by Materials Project

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Abstract

BaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ba–O bond lengths are 2.87 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 2.03 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Os4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-781625

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; BaOsO3; Ba-O-Os

OSTI Identifier:: 1307508

DOI:: https://doi.org/10.17188/1307508

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                    The Materials Project. Materials Data on BaOsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307508.

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                    The Materials Project. Materials Data on BaOsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307508

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                    The Materials Project. 2020.  
"Materials Data on BaOsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307508.  https://www.osti.gov/servlets/purl/1307508. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1307508,

  title        = {Materials Data on BaOsO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ba–O bond lengths are 2.87 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 2.03 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Os4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1307508},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307508

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