Materials Data on CoH2PbN3O8 by Materials Project

doi:10.17188/1711087

Title: Materials Data on CoH2PbN3O8 by Materials Project

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Abstract

CoPbH2O2(NO2)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four nitrous acid molecules and four CoPbH2O2 clusters. In each CoPbH2O2 cluster, Co3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.97 Å) and two longer (1.98 Å) Co–O bond length. Pb4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Co3+, one Pb4+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Co3+, two equivalent Pb4+, and one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1196122

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; CoH2PbN3O8; Co-H-N-O-Pb

OSTI Identifier:: 1711087

DOI:: https://doi.org/10.17188/1711087

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                    The Materials Project. Materials Data on CoH2PbN3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711087.

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                    The Materials Project. Materials Data on CoH2PbN3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711087

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                    The Materials Project. 2020.  
"Materials Data on CoH2PbN3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711087.  https://www.osti.gov/servlets/purl/1711087. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711087,

  title        = {Materials Data on CoH2PbN3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoPbH2O2(NO2)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty-four nitrous acid molecules and four CoPbH2O2 clusters. In each CoPbH2O2 cluster, Co3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.97 Å) and two longer (1.98 Å) Co–O bond length. Pb4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Co3+, one Pb4+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Co3+, two equivalent Pb4+, and one H1+ atom.},

  doi          = {10.17188/1711087},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711087

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