Materials Data on CaBr2 by Materials Project

doi:10.17188/1199054

Title: Materials Data on CaBr2 by Materials Project

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Abstract

CaBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.92 Å) and two longer (2.94 Å) Ca–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-22888

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-Ca; CaBr2; crystal structure

OSTI Identifier:: 1199054

DOI:: https://doi.org/10.17188/1199054

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                    Materials Data on CaBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199054.

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                    Materials Data on CaBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199054

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                    2020.  
"Materials Data on CaBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199054.  https://www.osti.gov/servlets/purl/1199054. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199054,

  title        = {Materials Data on CaBr2 by Materials Project},

  
  abstractNote = {CaBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.92 Å) and two longer (2.94 Å) Ca–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.},

  doi          = {10.17188/1199054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199054

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