Materials Data on MgBiPO6 by Materials Project

doi:10.17188/1318357

Title: Materials Data on MgBiPO6 by Materials Project

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Abstract

MgBiPO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.00–2.13 Å. Bi5+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.51 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Mg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi5+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mvc-11925

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; MgBiPO6; Bi-Mg-O-P

OSTI Identifier:: 1318357

DOI:: https://doi.org/10.17188/1318357

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                    The Materials Project. Materials Data on MgBiPO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318357.

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                    The Materials Project. Materials Data on MgBiPO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318357

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                    The Materials Project. 2020.  
"Materials Data on MgBiPO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318357.  https://www.osti.gov/servlets/purl/1318357. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1318357,

  title        = {Materials Data on MgBiPO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgBiPO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.00–2.13 Å. Bi5+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.51 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Mg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi5+ and one P5+ atom.},

  doi          = {10.17188/1318357},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1318357

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