Materials Data on Ca2HCl2 by Materials Project

doi:10.17188/1705287

Title: Materials Data on Ca2HCl2 by Materials Project

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Abstract

Ca2HCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ca2HCl2 cluster. Ca is bonded in a linear geometry to one H and one Cl atom. The Ca–H bond length is 2.11 Å. The Ca–Cl bond length is 2.39 Å. H is bonded in a linear geometry to two equivalent Ca atoms. Cl is bonded in a single-bond geometry to one Ca atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1214086

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; Ca2HCl2; Ca-Cl-H

OSTI Identifier:: 1705287

DOI:: https://doi.org/10.17188/1705287

Citation Formats


                    The Materials Project. Materials Data on Ca2HCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705287.

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                    The Materials Project. Materials Data on Ca2HCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705287

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                    The Materials Project. 2020.  
"Materials Data on Ca2HCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705287.  https://www.osti.gov/servlets/purl/1705287. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1705287,

  title        = {Materials Data on Ca2HCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2HCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ca2HCl2 cluster. Ca is bonded in a linear geometry to one H and one Cl atom. The Ca–H bond length is 2.11 Å. The Ca–Cl bond length is 2.39 Å. H is bonded in a linear geometry to two equivalent Ca atoms. Cl is bonded in a single-bond geometry to one Ca atom.},

  doi          = {10.17188/1705287},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705287

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