Zn(MoO2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mo site, Mo(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-53°. In the third Mo site, Mo(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Mo site, Mo(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 51-53°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(3) and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(4) and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded to one Mo(2), two equivalent Mo(1), and one Zn(1) atom to form OZnMo3 trigonal pyramids that share corners with two equivalent O(4)ZnMo3 trigonal pyramids, edges with two equivalent O(7)Zn2Mo3 square pyramids, and edges with two equivalent O(6)Zn2Mo3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded to one Mo(3), two equivalent Mo(2), and two equivalent Zn(1) atoms to form distorted OZn2Mo3 trigonal bipyramids that share corners with two equivalent O(7)Zn2Mo3 square pyramids,  an edgeedge with one O(7)Zn2Mo3 square pyramid, edges with two equivalent O(6)Zn2Mo3 trigonal bipyramids, and edges with two equivalent O(4)ZnMo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mo(1), two equivalent Mo(4), and two equivalent Zn(1) atoms to form OZn2Mo3 square pyramids that share corners with two equivalent O(6)Zn2Mo3 trigonal bipyramids, edges with two equivalent O(7)Zn2Mo3 square pyramids,  an edgeedge with one O(6)Zn2Mo3 trigonal bipyramid, and edges with two equivalent O(4)ZnMo3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms.
Zn(MoO2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-51°. The Mo(1)-O(2) bond length is 1.95 Å. The Mo(1)-O(7) bond length is 2.28 Å. There is one shorter (2.06 Å) and one longer (2.17 Å) Mo(1)-O(4) bond length. There is one shorter (2.04 Å) and one longer (2.12 Å) Mo(1)-O(5) bond length. In the second Mo site, Mo(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-53°. The Mo(2)-O(4) bond length is 2.17 Å. The Mo(2)-O(8) bond length is 2.06 Å. There is one shorter (2.09 Å) and one longer (2.10 Å) Mo(2)-O(3) bond length. There is one shorter (2.33 Å) and one longer (2.35 Å) Mo(2)-O(6) bond length. In the third Mo site, Mo(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Mo(3)-O(1) bond length is 2.15 Å. The Mo(3)-O(6) bond length is 2.28 Å. There is one shorter (2.15 Å) and one longer (2.16 Å) Mo(3)-O(2) bond length. There is one shorter (2.11 Å) and one longer (2.12 Å) Mo(3)-O(8) bond length. In the fourth Mo site, Mo(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 51-53°. The Mo(4)-O(3) bond length is 2.00 Å. The Mo(4)-O(5) bond length is 2.07 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) Mo(4)-O(1) bond length. There is one shorter (2.29 Å) and one longer (2.30 Å) Mo(4)-O(7) bond length. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. The Zn(1)-O(4) bond length is 2.15 Å. There is one shorter (2.15 Å) and one longer (2.24 Å) Zn(1)-O(6) bond length. There is one shorter (2.18 Å) and one longer (2.21 Å) Zn(1)-O(7) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(3) and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(4) and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded to one Mo(2), two equivalent Mo(1), and one Zn(1) atom to form OZnMo3 trigonal pyramids that share corners with two equivalent O(4)ZnMo3 trigonal pyramids, edges with two equivalent O(7)Zn2Mo3 square pyramids, and edges with two equivalent O(6)Zn2Mo3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded to one Mo(3), two equivalent Mo(2), and two equivalent Zn(1) atoms to form distorted OZn2Mo3 trigonal bipyramids that share corners with two equivalent O(7)Zn2Mo3 square pyramids,  an edgeedge with one O(7)Zn2Mo3 square pyramid, edges with two equivalent O(6)Zn2Mo3 trigonal bipyramids, and edges with two equivalent O(4)ZnMo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mo(1), two equivalent Mo(4), and two equivalent Zn(1) atoms to form OZn2Mo3 square pyramids that share corners with two equivalent O(6)Zn2Mo3 trigonal bipyramids, edges with two equivalent O(7)Zn2Mo3 square pyramids,  an edgeedge with one O(6)Zn2Mo3 trigonal bipyramid, and edges with two equivalent O(4)ZnMo3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms.