Ba2ZnV2O8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Zn(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Zn(1) atom. In the seventh O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom.
Ba2ZnV2O8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms. The Ba(1)-O(2) bond length is 2.95 Å. The Ba(1)-O(5) bond length is 3.02 Å. The Ba(1)-O(6) bond length is 2.79 Å. There is one shorter (2.82 Å) and one longer (2.87 Å) Ba(1)-O(1) bond length. There is one shorter (2.99 Å) and one longer (3.06 Å) Ba(1)-O(3) bond length. There is one shorter (2.70 Å) and one longer (2.82 Å) Ba(1)-O(7) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), two equivalent O(4), and two equivalent O(6) atoms. The Ba(2)-O(1) bond length is 2.84 Å. The Ba(2)-O(2) bond length is 2.80 Å. The Ba(2)-O(3) bond length is 2.78 Å. The Ba(2)-O(5) bond length is 2.87 Å. The Ba(2)-O(7) bond length is 2.79 Å. There is one shorter (2.66 Å) and one longer (3.01 Å) Ba(2)-O(4) bond length. There is one shorter (3.11 Å) and one longer (3.38 Å) Ba(2)-O(6) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(4) bond length is 1.71 Å. The V(1)-O(7) bond length is 1.73 Å. The V(1)-O(8) bond length is 1.84 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra. The V(2)-O(2) bond length is 1.80 Å. The V(2)-O(3) bond length is 1.71 Å. The V(2)-O(5) bond length is 1.80 Å. The V(2)-O(6) bond length is 1.71 Å. Zn(1) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The Zn(1)-O(2) bond length is 1.97 Å. The Zn(1)-O(5) bond length is 1.98 Å. Both Zn(1)-O(8) bond lengths are 1.98 Å. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a trigonal planar geometry to one V(1) and two equivalent Zn(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Zn(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the fifth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Zn(1) atom. In the seventh O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(1) atom.