BaZn(MoO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Mo(1)O4 trigonal pyramids, and faces with two equivalent Zn(1)O6 octahedra. Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with four equivalent Mo(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Mo(1)O4 trigonal pyramids and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Mo(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBaZnMo2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Mo(1) atoms.
BaZn(MoO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Mo(1)O4 trigonal pyramids, and faces with two equivalent Zn(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.87 Å. All Ba(1)-O(2) bond lengths are 3.32 Å. Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with four equivalent Mo(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. The Mo(1)-O(2) bond length is 2.06 Å. All Mo(1)-O(1) bond lengths are 2.06 Å. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Mo(1)O4 trigonal pyramids and faces with two equivalent Ba(1)O12 cuboctahedra. All Zn(1)-O(1) bond lengths are 2.15 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Mo(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBaZnMo2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Mo(1) atoms.