Materials Data on CaI2 by Materials Project

doi:10.17188/1204463

Title: Materials Data on CaI2 by Materials Project

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Abstract

CaI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaI2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent I1- atoms to form edge-sharing CaI6 octahedra. All Ca–I bond lengths are 3.16 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-30031

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; Ca-I; CaI2; crystal structure

OSTI Identifier:: 1204463

DOI:: https://doi.org/10.17188/1204463

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                    Materials Data on CaI2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204463.

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                    Materials Data on CaI2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204463

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                    2020.  
"Materials Data on CaI2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204463.  https://www.osti.gov/servlets/purl/1204463. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1204463,

  title        = {Materials Data on CaI2 by Materials Project},

  
  abstractNote = {CaI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CaI2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent I1- atoms to form edge-sharing CaI6 octahedra. All Ca–I bond lengths are 3.16 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ca2+ atoms.},

  doi          = {10.17188/1204463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204463

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