Materials Data on Sb2Pb2O7 by Materials Project

doi:10.17188/1280720

Title: Materials Data on Sb2Pb2O7 by Materials Project

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Abstract

Pb2Sb2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.22 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.72 Å. In the third Pb2+ site, Pb2+ is bonded in a linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.66 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 2.05 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.43 Å) and two longer (2.49 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.58 Å) and two longer (2.01 Å) Sb–O bond length. In the third Sb5+ site, Sb5+ is bonded in a distorted linear geometry to six O2-more »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-647520

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; Sb2Pb2O7; O-Pb-Sb

OSTI Identifier:: 1280720

DOI:: https://doi.org/10.17188/1280720

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                    The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280720.

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                    The Materials Project. Materials Data on Sb2Pb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280720

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                    The Materials Project. 2020.  
"Materials Data on Sb2Pb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280720.  https://www.osti.gov/servlets/purl/1280720. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280720,

  title        = {Materials Data on Sb2Pb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2Sb2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–3.22 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.72 Å. In the third Pb2+ site, Pb2+ is bonded in a linear geometry to two O2- atoms. Both Pb–O bond lengths are 1.66 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted linear geometry to two O2- atoms. Both Pb–O bond lengths are 2.05 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.43 Å) and two longer (2.49 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.58 Å) and two longer (2.01 Å) Sb–O bond length. In the third Sb5+ site, Sb5+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.72–2.54 Å. In the fourth Sb5+ site, Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.22 Å) and two longer (2.54 Å) Sb–O bond lengths. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Pb2+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one Sb5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Sb5+ atom.},

  doi          = {10.17188/1280720},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280720

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