Materials Data on SrBiO3 by Materials Project

doi:10.17188/1203454

Title: Materials Data on SrBiO3 by Materials Project

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Abstract

SrBiO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.10 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–36°. There are two shorter (2.33 Å) and four longer (2.35 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 octahedra tilt angles range from 32–36°. There are four shorter (2.17 Å) and two longer (2.18 Å) Bi–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr and two Bi atoms. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Sr and two Bi atoms. In the third O site, O is bonded to two equivalent Sr and two Bi atoms to form distorted corner-sharing OSr2Bi2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-29164

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; SrBiO3; Bi-O-Sr

OSTI Identifier:: 1203454

DOI:: https://doi.org/10.17188/1203454

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                    The Materials Project. Materials Data on SrBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203454.

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                    The Materials Project. Materials Data on SrBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203454

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                    The Materials Project. 2020.  
"Materials Data on SrBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203454.  https://www.osti.gov/servlets/purl/1203454. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1203454,

  title        = {Materials Data on SrBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrBiO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.10 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–36°. There are two shorter (2.33 Å) and four longer (2.35 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 octahedra tilt angles range from 32–36°. There are four shorter (2.17 Å) and two longer (2.18 Å) Bi–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr and two Bi atoms. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Sr and two Bi atoms. In the third O site, O is bonded to two equivalent Sr and two Bi atoms to form distorted corner-sharing OSr2Bi2 tetrahedra.},

  doi          = {10.17188/1203454},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203454

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