Zn(MoO2)2 is Spinel structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. 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 three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(2) atom. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted corner-sharing OZnMo3 trigonal pyramids.
Zn(MoO2)2 is Spinel structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The Mo(1)-O(2) bond length is 2.17 Å. The Mo(1)-O(4) bond length is 2.17 Å. Both Mo(1)-O(1) bond lengths are 2.18 Å. Both Mo(1)-O(3) bond lengths are 2.18 Å. In the second Mo site, Mo(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with six equivalent Mo(1)O6 octahedra. All Mo(2)-O(1) bond lengths are 2.19 Å. All Mo(2)-O(3) bond lengths are 2.19 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Zn(1)-O(4) bond length is 2.02 Å. All Zn(1)-O(3) bond lengths are 2.04 Å. 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 three equivalent Mo(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Zn(2)-O(2) bond length is 2.02 Å. All Zn(2)-O(1) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(2) atom. In the second O site, O(2) is bonded to three equivalent Mo(1) and one Zn(2) atom to form distorted corner-sharing OZnMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mo(2), two equivalent Mo(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Zn(1) atom to form distorted corner-sharing OZnMo3 trigonal pyramids.