Materials Data on PbCSNCl by Materials Project

doi:10.17188/1281845

Title: Materials Data on PbCSNCl by Materials Project

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Abstract

PbCNSCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 5-coordinate geometry to two equivalent N3-, three equivalent S2-, and three equivalent Cl1- atoms. Both Pb–N bond lengths are 2.87 Å. There are two shorter (3.17 Å) and one longer (3.20 Å) Pb–S bond lengths. There are one shorter (2.96 Å) and two longer (2.98 Å) Pb–Cl bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.64 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one C4+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1281845

Report Number(s):: mp-672333

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; PbCSNCl; C-Cl-N-Pb-S

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                    The Materials Project. Materials Data on PbCSNCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281845.

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                    The Materials Project. Materials Data on PbCSNCl by Materials Project.  United States.  https://doi.org/10.17188/1281845

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                    The Materials Project. 2020.  
        "Materials Data on PbCSNCl by Materials Project".  United States.  https://doi.org/10.17188/1281845.  https://www.osti.gov/servlets/purl/1281845.

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@article{osti_1281845,

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

  author       = {The Materials Project},

  abstractNote = {PbCNSCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 5-coordinate geometry to two equivalent N3-, three equivalent S2-, and three equivalent Cl1- atoms. Both Pb–N bond lengths are 2.87 Å. There are two shorter (3.17 Å) and one longer (3.20 Å) Pb–S bond lengths. There are one shorter (2.96 Å) and two longer (2.98 Å) Pb–Cl bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.64 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one C4+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.},

  doi          = {10.17188/1281845},

  url          = {https://www.osti.gov/biblio/1281845},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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