BaYF5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of face and corner-sharing BaF12 cuboctahedra. Y(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form a mixture of distorted edge and corner-sharing FBa2Y2 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms.
BaYF5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form a mixture of face and corner-sharing BaF12 cuboctahedra. All Ba(1)-F(2) bond lengths are 2.76 Å. All Ba(1)-F(1) bond lengths are 2.89 Å. Y(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Y(1)-F(1) bond lengths are 2.32 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Ba(1) and two equivalent Y(1) atoms to form a mixture of distorted edge and corner-sharing FBa2Y2 tetrahedra. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Ba(1) atoms.