Cs2MnZr(MoO4)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to one O(3), one O(4), two equivalent O(5), two equivalent O(6), three equivalent O(1), and three equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra,  a faceface with one Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. Zr(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-19°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Zr(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Mn(1) atom.
Cs2MnZr(MoO4)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to one O(3), one O(4), two equivalent O(5), two equivalent O(6), three equivalent O(1), and three equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra,  a faceface with one Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The Cs(1)-O(3) bond length is 3.30 Å. The Cs(1)-O(4) bond length is 3.45 Å. Both Cs(1)-O(5) bond lengths are 3.50 Å. Both Cs(1)-O(6) bond lengths are 3.23 Å. There are two shorter (3.56 Å) and one longer (3.59 Å) Cs(1)-O(1) bond length. There is one shorter (3.39 Å) and two longer (3.43 Å) Cs(1)-O(2) bond lengths. Zr(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. Both Zr(1)-O(4) bond lengths are 2.09 Å. All Zr(1)-O(5) bond lengths are 2.11 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 18-20°. The Mo(1)-O(1) bond length is 1.75 Å. The Mo(1)-O(3) bond length is 1.77 Å. Both Mo(1)-O(5) bond lengths are 1.84 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form MoO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-19°. The Mo(2)-O(2) bond length is 1.76 Å. The Mo(2)-O(4) bond length is 1.86 Å. Both Mo(2)-O(6) bond lengths are 1.79 Å. Mn(1) is bonded to two equivalent O(3) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Cs(1)O12 cuboctahedra. Both Mn(1)-O(3) bond lengths are 2.20 Å. All Mn(1)-O(6) bond lengths are 2.16 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one Zr(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Zr(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(2), and one Mn(1) atom.