Materials Data on CdH12C4Br3N by Materials Project

doi:10.17188/1184653

Title: Materials Data on CdH12C4Br3N by Materials Project

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Abstract

CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the 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 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-567467

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; CdH12C4Br3N; Br-C-Cd-H-N

OSTI Identifier:: 1184653

DOI:: https://doi.org/10.17188/1184653

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                    The Materials Project. Materials Data on CdH12C4Br3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1184653.

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                    The Materials Project. Materials Data on CdH12C4Br3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1184653

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                    The Materials Project. 2020.  
"Materials Data on CdH12C4Br3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1184653.  https://www.osti.gov/servlets/purl/1184653. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1184653,

  title        = {Materials Data on CdH12C4Br3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the 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 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.},

  doi          = {10.17188/1184653},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1184653

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