Materials Data on CdCNCl3 by Materials Project

doi:10.17188/1664163

Title: Materials Data on CdCNCl3 by Materials Project

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Abstract

CdCl2CNCl crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two cyanogen chloride molecules and one CdCl2 ribbon oriented in the (0, 1, 0) direction. In the CdCl2 ribbon, Cd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1095515

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; CdCNCl3; C-Cd-Cl-N

OSTI Identifier:: 1664163

DOI:: https://doi.org/10.17188/1664163

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                    The Materials Project. Materials Data on CdCNCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664163.

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                    The Materials Project. Materials Data on CdCNCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664163

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                    The Materials Project. 2020.  
"Materials Data on CdCNCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664163.  https://www.osti.gov/servlets/purl/1664163. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1664163,

  title        = {Materials Data on CdCNCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdCl2CNCl crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two cyanogen chloride molecules and one CdCl2 ribbon oriented in the (0, 1, 0) direction. In the CdCl2 ribbon, Cd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.},

  doi          = {10.17188/1664163},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1664163

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