MoTe2O7 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), and two equivalent O(3) atoms. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Mo(1) and one Te(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Te(1) and two equivalent Te(2) atoms. In the sixth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(5) is bonded in a single-bond geometry to two equivalent Mo(1) atoms.
MoTe2O7 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. The Mo(1)-O(4) bond length is 1.72 Å. The Mo(1)-O(7) bond length is 1.92 Å. There is one shorter (1.71 Å) and one longer (2.57 Å) Mo(1)-O(5) bond length. There is one shorter (1.95 Å) and one longer (2.16 Å) Mo(1)-O(6) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(7) atom. The Te(1)-O(1) bond length is 2.08 Å. The Te(1)-O(2) bond length is 1.90 Å. The Te(1)-O(3) bond length is 2.10 Å. The Te(1)-O(7) bond length is 1.90 Å. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), and two equivalent O(3) atoms. The Te(2)-O(1) bond length is 1.87 Å. The Te(2)-O(2) bond length is 2.03 Å. The Te(2)-O(6) bond length is 2.21 Å. There is one shorter (1.91 Å) and one longer (2.62 Å) Te(2)-O(3) bond length. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Mo(1) and one Te(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Te(1) and one Te(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Te(1) and two equivalent Te(2) atoms. In the sixth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(5) is bonded in a single-bond geometry to two equivalent Mo(1) atoms.