Materials Data on CuPb2Cl3O2 by Materials Project

doi:10.17188/1741993

Title: Materials Data on CuPb2Cl3O2 by Materials Project

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Abstract

CuCl3(PbO)2 crystallizes in the tetragonal I4_1/acd space group. The structure is one-dimensional and consists of eight PbO clusters and four CuCl3 ribbons oriented in the (0, 0, 1) direction. In each PbO cluster, Pb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.28 Å) and two longer (2.29 Å) Pb–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb3+ atoms. In each CuCl3 ribbon, Cu1+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.43 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1195366

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; CuPb2Cl3O2; Cl-Cu-O-Pb

OSTI Identifier:: 1741993

DOI:: https://doi.org/10.17188/1741993

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                    The Materials Project. Materials Data on CuPb2Cl3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741993.

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                    The Materials Project. Materials Data on CuPb2Cl3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741993

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                    The Materials Project. 2020.  
"Materials Data on CuPb2Cl3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741993.  https://www.osti.gov/servlets/purl/1741993. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1741993,

  title        = {Materials Data on CuPb2Cl3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuCl3(PbO)2 crystallizes in the tetragonal I4_1/acd space group. The structure is one-dimensional and consists of eight PbO clusters and four CuCl3 ribbons oriented in the (0, 0, 1) direction. In each PbO cluster, Pb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.28 Å) and two longer (2.29 Å) Pb–O bond lengths. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb3+ atoms. In each CuCl3 ribbon, Cu1+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.43 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Cu1+ atoms.},

  doi          = {10.17188/1741993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1741993

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