CaCoF4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Co(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom.
CaCoF4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two shorter (2.36 Å) and two longer (2.38 Å) Ca(1)-F(1) bond lengths. There are two shorter (2.36 Å) and two longer (2.39 Å) Ca(1)-F(2) bond lengths. Co(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Co(1)-F(1) bond lengths are 2.02 Å. Both Co(1)-F(2) bond lengths are 1.99 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom.