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DOE OSTI · 1267854

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.

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36 MATERIALS SCIENCECr-F-Srcrystal structureSrCrF6

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2020-07-15. Materials Data on SrCrF6 by Materials Project. https://doi.org/10.17188/1267854

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