Materials Data on Sr2CaI6 by Materials Project

doi:10.17188/1289527

Title: Materials Data on Sr2CaI6 by Materials Project

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Abstract

Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent CaI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.30 Å. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with twelve equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ca–I bond lengths are 3.20 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Sr2+ and one Ca2+ atom.

Publication Date:: 2020-07-18

Other Number(s):: mp-754710

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-Sr; Sr2CaI6; crystal structure

OSTI Identifier:: 1289527

DOI:: https://doi.org/10.17188/1289527

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                    Materials Data on Sr2CaI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289527.

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                    Materials Data on Sr2CaI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289527

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                    2020.  
"Materials Data on Sr2CaI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289527.  https://www.osti.gov/servlets/purl/1289527. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1289527,

  title        = {Materials Data on Sr2CaI6 by Materials Project},

  
  abstractNote = {Sr2CaI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent CaI6 octahedra and edges with three equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.30 Å. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with twelve equivalent SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ca–I bond lengths are 3.20 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Sr2+ and one Ca2+ atom.},

  doi          = {10.17188/1289527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289527

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