Materials Data on Si2Pb3O7 by Materials Project

doi:10.17188/1197158

Title: Materials Data on Si2Pb3O7 by Materials Project

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Abstract

Pb3Si2O7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Pb–O bond lengths are 2.52 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Pb–O bond lengths are 2.65 Å. In the third 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 2.22–2.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one PbO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 120more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-21767

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; Si2Pb3O7; O-Pb-Si

OSTI Identifier:: 1197158

DOI:: https://doi.org/10.17188/1197158

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                    The Materials Project. Materials Data on Si2Pb3O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197158.

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                    The Materials Project. Materials Data on Si2Pb3O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197158

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                    The Materials Project. 2020.  
"Materials Data on Si2Pb3O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197158.  https://www.osti.gov/servlets/purl/1197158. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1197158,

  title        = {Materials Data on Si2Pb3O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb3Si2O7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six equivalent O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Pb–O bond lengths are 2.52 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Pb–O bond lengths are 2.65 Å. In the third 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 2.22–2.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one PbO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Si4+ atom.},

  doi          = {10.17188/1197158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1197158

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