Zn3Si4(MoO7)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Mo(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), and two equivalent O(7) atoms to form distorted ZnO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-78°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 65-68°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mo(2), one Zn(1), one Zn(2), and one Si(2) atom to form distorted corner-sharing OZn2SiMo tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Si(1) atom.
Zn3Si4(MoO7)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. Both Mo(1)-O(2) bond lengths are 2.10 Å. Both Mo(1)-O(3) bond lengths are 2.21 Å. Both Mo(1)-O(4) bond lengths are 2.19 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Mo(1)O6 octahedra. Both Mo(2)-O(1) bond lengths are 2.35 Å. Both Mo(2)-O(2) bond lengths are 2.07 Å. Both Mo(2)-O(4) bond lengths are 2.13 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), and two equivalent O(7) atoms to form distorted ZnO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-78°. The Zn(1)-O(1) bond length is 2.37 Å. The Zn(1)-O(2) bond length is 1.87 Å. There is one shorter (1.97 Å) and one longer (2.06 Å) Zn(1)-O(7) bond length. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Both Zn(2)-O(1) bond lengths are 2.17 Å. Both Zn(2)-O(3) bond lengths are 2.08 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Si(1)-O(4) bond length is 1.63 Å. The Si(1)-O(5) bond length is 1.64 Å. The Si(1)-O(6) bond length is 1.65 Å. The Si(1)-O(7) bond length is 1.64 Å. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 65-68°. The Si(2)-O(1) bond length is 1.69 Å. The Si(2)-O(3) bond length is 1.64 Å. The Si(2)-O(5) bond length is 1.64 Å. The Si(2)-O(6) bond length is 1.65 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mo(2), one Zn(1), one Zn(2), and one Si(2) atom to form distorted corner-sharing OZn2SiMo tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Zn(2), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one Si(1) atom.