Materials Data on CdCBr3N by Materials Project

doi:10.17188/1652874

Title: Materials Data on CdCBr3N by Materials Project

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Abstract

CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1102642

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; CdCBr3N; Br-C-Cd-N

OSTI Identifier:: 1652874

DOI:: https://doi.org/10.17188/1652874

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                    The Materials Project. Materials Data on CdCBr3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652874.

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                    The Materials Project. Materials Data on CdCBr3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1652874

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                    The Materials Project. 2020.  
"Materials Data on CdCBr3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1652874.  https://www.osti.gov/servlets/purl/1652874. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1652874,

  title        = {Materials Data on CdCBr3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdBr3CN crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two CdBr3 ribbons oriented in the (0, 0, 1) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.80–2.82 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms.},

  doi          = {10.17188/1652874},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652874

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