Materials Data on CdHClO by Materials Project

doi:10.17188/1280406

Title: Materials Data on CdHClO by Materials Project

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Abstract

Cd(OH)Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Cd(OH)Cl sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent O2- and three equivalent Cl1- atoms to form distorted edge-sharing CdCl3O3 octahedra. All Cd–O bond lengths are 2.31 Å. All Cd–Cl bond lengths are 2.75 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-644222

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; CdHClO; Cd-Cl-H-O

OSTI Identifier:: 1280406

DOI:: https://doi.org/10.17188/1280406

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                    The Materials Project. Materials Data on CdHClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280406.

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                    The Materials Project. Materials Data on CdHClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1280406

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                    The Materials Project. 2020.  
"Materials Data on CdHClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1280406.  https://www.osti.gov/servlets/purl/1280406. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1280406,

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

  author       = {The Materials Project},

  abstractNote = {Cd(OH)Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Cd(OH)Cl sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to three equivalent O2- and three equivalent Cl1- atoms to form distorted edge-sharing CdCl3O3 octahedra. All Cd–O bond lengths are 2.31 Å. All Cd–Cl bond lengths are 2.75 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.},

  doi          = {10.17188/1280406},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280406

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