Materials Data on Cd13I28 by Materials Project

doi:10.17188/1285654

Title: Materials Data on Cd13I28 by Materials Project

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Abstract

(CdI2)13(I)2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of thirteen CdI2 sheets oriented in the (0, 0, 1) direction and one I sheet oriented in the (0, 0, 1) direction. In each CdI2 sheet, Cd is bonded to six I atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the I sheet, I is bonded in a 3-coordinate geometry to three equivalent I atoms. All I–I bond lengths are 3.47 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-703595

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; Cd13I28; Cd-I

OSTI Identifier:: 1285654

DOI:: https://doi.org/10.17188/1285654

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                    The Materials Project. Materials Data on Cd13I28 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285654.

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                    The Materials Project. Materials Data on Cd13I28 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285654

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                    The Materials Project. 2020.  
"Materials Data on Cd13I28 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285654.  https://www.osti.gov/servlets/purl/1285654. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1285654,

  title        = {Materials Data on Cd13I28 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(CdI2)13(I)2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of thirteen CdI2 sheets oriented in the (0, 0, 1) direction and one I sheet oriented in the (0, 0, 1) direction. In each CdI2 sheet, Cd is bonded to six I atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the I sheet, I is bonded in a 3-coordinate geometry to three equivalent I atoms. All I–I bond lengths are 3.47 Å.},

  doi          = {10.17188/1285654},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1285654

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