Cd3V2O8 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra and corners with two equivalent Cd(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second V site, V(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra and corners with two equivalent Cd(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, corners with three equivalent Cd(2)O4 tetrahedra, and edges with two equivalent Cd(1)O6 octahedra. In the second Cd site, Cd(2) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form CdO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 72-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded to one V(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cd(1) atoms. In the fourth O site, O(4) is bonded to one V(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd3 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Cd(1) atom.
Cd3V2O8 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra and corners with two equivalent Cd(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(3) bond length is 1.75 Å. Both V(1)-O(5) bond lengths are 1.77 Å. In the second V site, V(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra and corners with two equivalent Cd(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-58°. The V(2)-O(2) bond length is 1.80 Å. The V(2)-O(4) bond length is 1.84 Å. Both V(2)-O(6) bond lengths are 1.69 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, corners with three equivalent Cd(2)O4 tetrahedra, and edges with two equivalent Cd(1)O6 octahedra. The Cd(1)-O(1) bond length is 2.42 Å. The Cd(1)-O(2) bond length is 2.49 Å. The Cd(1)-O(3) bond length is 2.25 Å. The Cd(1)-O(4) bond length is 2.36 Å. The Cd(1)-O(5) bond length is 2.29 Å. The Cd(1)-O(6) bond length is 2.26 Å. In the second Cd site, Cd(2) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form CdO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 72-78°. The Cd(2)-O(2) bond length is 2.38 Å. The Cd(2)-O(4) bond length is 2.27 Å. Both Cd(2)-O(5) bond lengths are 2.22 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded to one V(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cd(1) atoms. In the fourth O site, O(4) is bonded to one V(2), one Cd(2), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing OVCd3 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one Cd(1), and one Cd(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Cd(1) atom.