CsSbV2O8 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(7), three equivalent O(4), and three equivalent O(8) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second V site, V(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-49°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one V(2) and one Sb(1) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Cs(1), one V(2), and one Sb(1) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(2), and one Sb(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Sb(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one V(1), and one Sb(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(1), and one Sb(1) atom. In the eighth O site, O(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom.
CsSbV2O8 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(7), three equivalent O(4), and three equivalent O(8) atoms. The Cs(1)-O(6) bond length is 3.66 Å. There is one shorter (3.48 Å) and one longer (3.74 Å) Cs(1)-O(2) bond length. There is one shorter (3.28 Å) and one longer (3.75 Å) Cs(1)-O(3) bond length. There is one shorter (3.39 Å) and one longer (3.56 Å) Cs(1)-O(7) bond length. There are a spread of Cs(1)-O(4) bond distances ranging from 3.33-3.64 Å. There are a spread of Cs(1)-O(8) bond distances ranging from 3.18-3.71 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. The V(1)-O(1) bond length is 1.76 Å. The V(1)-O(2) bond length is 1.80 Å. The V(1)-O(3) bond length is 1.81 Å. The V(1)-O(4) bond length is 1.64 Å. In the second V site, V(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-49°. The V(2)-O(5) bond length is 1.75 Å. The V(2)-O(6) bond length is 1.78 Å. The V(2)-O(7) bond length is 1.81 Å. The V(2)-O(8) bond length is 1.65 Å. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. The Sb(1)-O(1) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 1.99 Å. The Sb(1)-O(3) bond length is 2.00 Å. The Sb(1)-O(5) bond length is 2.00 Å. The Sb(1)-O(6) bond length is 1.99 Å. The Sb(1)-O(7) bond length is 1.99 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to one V(2) and one Sb(1) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Cs(1), one V(2), and one Sb(1) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(2), and one Sb(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Sb(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one V(1), and one Sb(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one V(1), and one Sb(1) atom. In the eighth O site, O(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one V(1) atom.