Materials Data on Mg2Bi3O8 by Materials Project

doi:10.17188/1318991

Title: Materials Data on Mg2Bi3O8 by Materials Project

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Abstract

Mg2Bi3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.57 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are four shorter (2.37 Å) and two longer (2.44 Å) Bi–O bond lengths. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.18–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Bi4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two Bi4+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mvc-13890

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; Mg2Bi3O8; Bi-Mg-O

OSTI Identifier:: 1318991

DOI:: https://doi.org/10.17188/1318991

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                    The Materials Project. Materials Data on Mg2Bi3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318991.

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                    The Materials Project. Materials Data on Mg2Bi3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318991

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                    The Materials Project. 2020.  
"Materials Data on Mg2Bi3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318991.  https://www.osti.gov/servlets/purl/1318991. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1318991,

  title        = {Materials Data on Mg2Bi3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Bi3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.57 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are four shorter (2.37 Å) and two longer (2.44 Å) Bi–O bond lengths. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.18–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Bi4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two Bi4+ atoms.},

  doi          = {10.17188/1318991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1318991

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