Mo2Zn3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with five equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-81°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Mo(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-80°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1) and three equivalent Zn(2) atoms to form distorted OZn3Mo tetrahedra that share  a cornercorner with one O(4)Zn2Mo2 tetrahedra and corners with six equivalent O(1)Zn3Mo tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(4)Zn2Mo2 tetrahedra and corners with two equivalent O(1)Zn3Mo tetrahedra.
Mo2Zn3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with five equivalent Mo(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with five equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. The Mo(1)-O(1) bond length is 2.11 Å. The Mo(1)-O(4) bond length is 2.16 Å. There is one shorter (2.02 Å) and one longer (2.11 Å) Mo(1)-O(2) bond length. There is one shorter (2.02 Å) and one longer (2.11 Å) Mo(1)-O(3) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with eight equivalent Mo(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-81°. Both Zn(1)-O(3) bond lengths are 2.02 Å. There is one shorter (2.05 Å) and one longer (2.09 Å) Zn(1)-O(4) bond length. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with five equivalent Mo(1)O6 octahedra and corners with six equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-80°. The Zn(2)-O(2) bond length is 2.02 Å. There are a spread of Zn(2)-O(1) bond distances ranging from 2.01-2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1) and three equivalent Zn(2) atoms to form distorted OZn3Mo tetrahedra that share  a cornercorner with one O(4)Zn2Mo2 tetrahedra and corners with six equivalent O(1)Zn3Mo tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form distorted OZn2Mo2 tetrahedra that share corners with two equivalent O(4)Zn2Mo2 tetrahedra and corners with two equivalent O(1)Zn3Mo tetrahedra.