TaF5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two TaF5 clusters. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ta site, Ta(2) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ta(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Ta(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Ta(1) atom.
TaF5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two TaF5 clusters. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 7°. Both Ta(1)-F(3) bond lengths are 2.07 Å. Both Ta(1)-F(5) bond lengths are 1.84 Å. Both Ta(1)-F(6) bond lengths are 1.87 Å. In the second Ta site, Ta(2) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing TaF6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Ta(2)-F(2) bond length is 1.88 Å. The Ta(2)-F(4) bond length is 1.87 Å. Both Ta(2)-F(1) bond lengths are 1.84 Å. Both Ta(2)-F(3) bond lengths are 2.08 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ta(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Ta(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Ta(1) atom.