BiZn2VO6 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-63°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Bi(1) atom to form edge-sharing OZn3Bi tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one V(1), one Zn(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and one Bi(1) atom.
BiZn2VO6 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-63°. The V(1)-O(2) bond length is 1.79 Å. The V(1)-O(4) bond length is 1.72 Å. The V(1)-O(5) bond length is 1.75 Å. The V(1)-O(6) bond length is 1.75 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The Zn(1)-O(1) bond length is 1.99 Å. The Zn(1)-O(4) bond length is 2.14 Å. Both Zn(1)-O(2) bond lengths are 2.43 Å. There is one shorter (2.07 Å) and one longer (2.13 Å) Zn(1)-O(3) bond length. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Zn(2)-O(1) bond length is 1.95 Å. The Zn(2)-O(3) bond length is 1.95 Å. The Zn(2)-O(5) bond length is 2.06 Å. The Zn(2)-O(6) bond length is 1.99 Å. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. The Bi(1)-O(1) bond length is 2.15 Å. The Bi(1)-O(2) bond length is 2.24 Å. The Bi(1)-O(3) bond length is 2.24 Å. The Bi(1)-O(4) bond length is 2.76 Å. The Bi(1)-O(6) bond length is 2.73 Å. There is one shorter (2.71 Å) and one longer (2.85 Å) Bi(1)-O(5) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Bi(1) atom to form edge-sharing OZn3Bi tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one V(1), one Zn(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and one Bi(1) atom.