CaNiF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ni(1) is bonded to six equivalent F(1) atoms to form NiF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. F(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ni(1) atom.
CaNiF6 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ca(1)-F(1) bond lengths are 2.29 Å. Ni(1) is bonded to six equivalent F(1) atoms to form NiF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ni(1)-F(1) bond lengths are 1.78 Å. F(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one Ni(1) atom.