Ba2CrF6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cr(1) atoms. In the third F site, F(3) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.
Ba2CrF6 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. There are two shorter (3.07 Å) and two longer (3.10 Å) Ba(1)-F(1) bond lengths. There are two shorter (3.28 Å) and two longer (3.31 Å) Ba(1)-F(2) bond lengths. There are two shorter (2.65 Å) and two longer (2.66 Å) Ba(1)-F(3) bond lengths. Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Cr(1)-F(1) bond lengths are 2.02 Å. There are two shorter (2.02 Å) and two longer (2.30 Å) Cr(1)-F(2) bond lengths. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cr(1) atoms. In the third F site, F(3) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.