Materials Data on Pb3SeO5 by Materials Project

doi:10.17188/1262877

Title: Materials Data on Pb3SeO5 by Materials Project

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Abstract

Pb3SeO5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two Pb3SeO5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.50 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–2.77 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb4+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb4+ and one Se2- atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-510293

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; Pb3SeO5; O-Pb-Se

OSTI Identifier:: 1262877

DOI:: https://doi.org/10.17188/1262877

Citation Formats


                    The Materials Project. Materials Data on Pb3SeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262877.

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                    The Materials Project. Materials Data on Pb3SeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262877

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                    The Materials Project. 2020.  
"Materials Data on Pb3SeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262877.  https://www.osti.gov/servlets/purl/1262877. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1262877,

  title        = {Materials Data on Pb3SeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb3SeO5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two Pb3SeO5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.50 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–2.77 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb4+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb4+ and one Se2- atom.},

  doi          = {10.17188/1262877},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262877

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