BaCrF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Cr(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom.
BaCrF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Cr(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (2.78 Å) and six longer (2.87 Å) Ba(1)-F(1) bond lengths. Cr(1) is bonded to six equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. All Cr(1)-F(1) bond lengths are 1.83 Å. F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom.