Materials Data on Pb2SO5 by Materials Project

doi:10.17188/1196950

Title: Materials Data on Pb2SO5 by Materials Project

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Abstract

Pb2(SO4)O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.17 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.17 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-21497

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; Pb2SO5; O-Pb-S

OSTI Identifier:: 1196950

DOI:: https://doi.org/10.17188/1196950

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                    The Materials Project. Materials Data on Pb2SO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196950.

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                    The Materials Project. Materials Data on Pb2SO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196950

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                    The Materials Project. 2020.  
"Materials Data on Pb2SO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196950.  https://www.osti.gov/servlets/purl/1196950. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1196950,

  title        = {Materials Data on Pb2SO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2(SO4)O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.17 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–3.17 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom.},

  doi          = {10.17188/1196950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196950

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