Materials Data on CrPb6(Cl3O4)2 by Materials Project

doi:10.17188/1751848

Title: Materials Data on CrPb6(Cl3O4)2 by Materials Project

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Abstract

CrPb6(O4Cl3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cr6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cr–O bond lengths are 1.86 Å. Pb+2.67+ is bonded in a 6-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.94 Å. There are one shorter (2.95 Å) and one longer (3.15 Å) Pb–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and two equivalent Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb+2.67+ and one O2- atom. The O–O bond length is 1.26 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb+2.67+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1191060

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; CrPb6(Cl3O4)2; Cl-Cr-O-Pb

OSTI Identifier:: 1751848

DOI:: https://doi.org/10.17188/1751848

Citation Formats


                    The Materials Project. Materials Data on CrPb6(Cl3O4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751848.

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                    The Materials Project. Materials Data on CrPb6(Cl3O4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751848

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                    The Materials Project. 2020.  
"Materials Data on CrPb6(Cl3O4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751848.  https://www.osti.gov/servlets/purl/1751848. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1751848,

  title        = {Materials Data on CrPb6(Cl3O4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrPb6(O4Cl3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cr6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cr–O bond lengths are 1.86 Å. Pb+2.67+ is bonded in a 6-coordinate geometry to three O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.94 Å. There are one shorter (2.95 Å) and one longer (3.15 Å) Pb–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and two equivalent Pb+2.67+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb+2.67+ and one O2- atom. The O–O bond length is 1.26 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb+2.67+ atoms.},

  doi          = {10.17188/1751848},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751848

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