Materials Data on Bi3P3O14 by Materials Project

doi:10.17188/1674586

Title: Materials Data on Bi3P3O14 by Materials Project

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Abstract

Bi3P3O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Bi+4.33+ sites. In the first Bi+4.33+ site, Bi+4.33+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.85 Å. In the second Bi+4.33+ site, Bi+4.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.82 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+4.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+4.33+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227518

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; Bi3P3O14; Bi-O-P

OSTI Identifier:: 1674586

DOI:: https://doi.org/10.17188/1674586

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                    The Materials Project. Materials Data on Bi3P3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674586.

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                    The Materials Project. Materials Data on Bi3P3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674586

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                    The Materials Project. 2020.  
"Materials Data on Bi3P3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674586.  https://www.osti.gov/servlets/purl/1674586. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1674586,

  title        = {Materials Data on Bi3P3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi3P3O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Bi+4.33+ sites. In the first Bi+4.33+ site, Bi+4.33+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.85 Å. In the second Bi+4.33+ site, Bi+4.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.29–2.82 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+4.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+4.33+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+4.33+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi+4.33+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+4.33+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Bi+4.33+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Bi+4.33+ atom.},

  doi          = {10.17188/1674586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674586

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