Materials Data on CdC2S2(NO)6 by Materials Project

doi:10.17188/1708652

Title: Materials Data on CdC2S2(NO)6 by Materials Project

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Abstract

Cd(NO3)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfanylcyanamide molecules and two Cd(NO3)2 clusters. In each Cd(NO3)2 cluster, Cd2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Cd–O bond lengths. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Cd2+ and one N1+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Cd2+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1214165

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; CdC2S2(NO)6; C-Cd-N-O-S

OSTI Identifier:: 1708652

DOI:: https://doi.org/10.17188/1708652

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                    The Materials Project. Materials Data on CdC2S2(NO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708652.

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                    The Materials Project. Materials Data on CdC2S2(NO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708652

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                    The Materials Project. 2020.  
"Materials Data on CdC2S2(NO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708652.  https://www.osti.gov/servlets/purl/1708652. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1708652,

  title        = {Materials Data on CdC2S2(NO)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(NO3)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfanylcyanamide molecules and two Cd(NO3)2 clusters. In each Cd(NO3)2 cluster, Cd2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Cd–O bond lengths. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Cd2+ and one N1+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Cd2+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.},

  doi          = {10.17188/1708652},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1708652

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