Ta2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Ta(1) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ta(2) and two equivalent Mo(1) atoms to form a mixture of edge and corner-sharing OTa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ta(2) atoms.
Ta2Mo2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Mo(1) atoms. All Ta(1)-Mo(1) bond lengths are 2.92 Å. In the second Ta site, Ta(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. All Ta(2)-O(2) bond lengths are 2.44 Å. All Ta(2)-O(1) bond lengths are 2.31 Å. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Ta(1) and four equivalent O(1) atoms. All Mo(1)-O(1) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ta(2) and two equivalent Mo(1) atoms to form a mixture of edge and corner-sharing OTa2Mo2 tetrahedra. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ta(2) atoms.