Materials Data on P2Pb8O13 by Materials Project

doi:10.17188/1205395

Title: Materials Data on P2Pb8O13 by Materials Project

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Abstract

Pb8P2O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.98 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–3.12 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to three O2- atoms. There are two shorter (2.24 Å) and one longer (2.40 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.20–2.75 Å. In the fifth Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.76 Å. In the sixth Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.65 Å. There are two inequivalent P5+ sites. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-31069

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; P2Pb8O13; O-P-Pb

OSTI Identifier:: 1205395

DOI:: https://doi.org/10.17188/1205395

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                    The Materials Project. Materials Data on P2Pb8O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205395.

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                    The Materials Project. Materials Data on P2Pb8O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205395

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                    The Materials Project. 2020.  
"Materials Data on P2Pb8O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205395.  https://www.osti.gov/servlets/purl/1205395. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1205395,

  title        = {Materials Data on P2Pb8O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb8P2O13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.98 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–3.12 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to three O2- atoms. There are two shorter (2.24 Å) and one longer (2.40 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.20–2.75 Å. In the fifth Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.76 Å. In the sixth Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.65 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 (1.56 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one P5+ atom. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the eighth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra.},

  doi          = {10.17188/1205395},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1205395

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