Materials Data on HgPb2(ClO)2 by Materials Project

doi:10.17188/1267256

Title: Materials Data on HgPb2(ClO)2 by Materials Project

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Abstract

HgPb2(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.08 Å. All Hg–Cl bond lengths are 3.06 Å. Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Cl1- atoms. There are one shorter (2.40 Å) and two longer (2.44 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.34–3.47 Å. O2- is bonded to one Hg2+ and three equivalent Pb2+ atoms to form a mixture of corner and edge-sharing OHgPb3 tetrahedra. Cl1- is bonded in a 7-coordinate geometry to two equivalent Hg2+ and five equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-546862

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; HgPb2(ClO)2; Cl-Hg-O-Pb

OSTI Identifier:: 1267256

DOI:: https://doi.org/10.17188/1267256

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                    The Materials Project. Materials Data on HgPb2(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267256.

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                    The Materials Project. Materials Data on HgPb2(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267256

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                    The Materials Project. 2020.  
"Materials Data on HgPb2(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267256.  https://www.osti.gov/servlets/purl/1267256. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267256,

  title        = {Materials Data on HgPb2(ClO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgPb2(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.08 Å. All Hg–Cl bond lengths are 3.06 Å. Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Cl1- atoms. There are one shorter (2.40 Å) and two longer (2.44 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.34–3.47 Å. O2- is bonded to one Hg2+ and three equivalent Pb2+ atoms to form a mixture of corner and edge-sharing OHgPb3 tetrahedra. Cl1- is bonded in a 7-coordinate geometry to two equivalent Hg2+ and five equivalent Pb2+ atoms.},

  doi          = {10.17188/1267256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267256

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