Materials Data on SrCrF6 by Materials Project

doi:10.17188/1267854

Title: Materials Data on SrCrF6 by Materials Project

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Abstract

SrCrF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.70 Å) and six longer (2.80 Å) Sr–F bond lengths. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Cr4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-554332

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; SrCrF6; Cr-F-Sr

OSTI Identifier:: 1267854

DOI:: https://doi.org/10.17188/1267854

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                    The Materials Project. Materials Data on SrCrF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267854.

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                    The Materials Project. Materials Data on SrCrF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267854

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                    The Materials Project. 2020.  
"Materials Data on SrCrF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267854.  https://www.osti.gov/servlets/purl/1267854. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1267854,

  title        = {Materials Data on SrCrF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCrF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.70 Å) and six longer (2.80 Å) Sr–F bond lengths. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Cr4+ atom.},

  doi          = {10.17188/1267854},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267854

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