Materials Data on Mg(BiO3)2 by Materials Project

doi:10.17188/1202551

Title: Materials Data on Mg(BiO3)2 by Materials Project

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Abstract

MgBi2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mg–O bond lengths are 2.11 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Bi–O bond distances ranging from 2.14–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-28447

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi-Mg-O; Mg(BiO3)2; crystal structure

OSTI Identifier:: 1202551

DOI:: https://doi.org/10.17188/1202551

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                    Materials Data on Mg(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202551.

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                    Materials Data on Mg(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202551

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                    2020.  
"Materials Data on Mg(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202551.  https://www.osti.gov/servlets/purl/1202551. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1202551,

  title        = {Materials Data on Mg(BiO3)2 by Materials Project},

  
  abstractNote = {MgBi2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent BiO6 octahedra and edges with two equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mg–O bond lengths are 2.11 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of Bi–O bond distances ranging from 2.14–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Bi5+ atoms.},

  doi          = {10.17188/1202551},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1202551

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