CsV3B2P4(H4O11)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form CsO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Cs(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Cs(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-71°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cs(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-73°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one B(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Cs(1), one V(2), and two equivalent H(2) atoms.
CsV3B2P4(H4O11)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form CsO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent B(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. Both Cs(1)-O(6) bond lengths are 3.23 Å. All Cs(1)-O(2) bond lengths are 3.30 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Both V(1)-O(1) bond lengths are 2.04 Å. Both V(1)-O(3) bond lengths are 2.01 Å. Both V(1)-O(4) bond lengths are 2.07 Å. In the second V site, V(2) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Cs(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. Both V(2)-O(6) bond lengths are 2.14 Å. All V(2)-O(5) bond lengths are 2.03 Å. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BO4 tetrahedra that share corners with two equivalent Cs(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-71°. Both B(1)-O(1) bond lengths are 1.48 Å. Both B(1)-O(2) bond lengths are 1.48 Å. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cs(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-73°. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.54 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. The H(1)-O(1) bond length is 1.01 Å. The H(1)-O(4) bond length is 1.58 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.99 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), one B(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one B(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Cs(1), one V(2), and two equivalent H(2) atoms.