BaF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of distorted corner, face, and edge-sharing BaF12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms.
BaF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of distorted corner, face, and edge-sharing BaF12 cuboctahedra. All Ba(1)-F(2) bond lengths are 3.00 Å. All Ba(1)-F(1) bond lengths are 2.73 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms.