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SrCuF4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Sr–F bond lengths are 2.52 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom.
Sr2CuF6 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.55 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.55 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom.
Sr2CuF6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.55 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.