Materials Data on CdH4NCl3 by Materials Project

doi:10.17188/1200050

Title: Materials Data on CdH4NCl3 by Materials Project

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Abstract

NH4CdCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonium molecules and two CdCl3 ribbons oriented in the (1, 0, 0) direction. In each CdCl3 ribbon, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.58–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-24356

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; CdH4NCl3; Cd-Cl-H-N

OSTI Identifier:: 1200050

DOI:: https://doi.org/10.17188/1200050

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                    The Materials Project. Materials Data on CdH4NCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200050.

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                    The Materials Project. Materials Data on CdH4NCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200050

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                    The Materials Project. 2020.  
"Materials Data on CdH4NCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200050.  https://www.osti.gov/servlets/purl/1200050. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1200050,

  title        = {Materials Data on CdH4NCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH4CdCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonium molecules and two CdCl3 ribbons oriented in the (1, 0, 0) direction. In each CdCl3 ribbon, Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.58–2.76 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cd2+ atoms.},

  doi          = {10.17188/1200050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200050

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