Ba2V3P6HO22 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(8), one O(9), and three equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-56°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are eleven inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one P(1), and one H(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one P(3) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom.
Ba2V3P6HO22 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(8), one O(9), and three equivalent O(3) atoms. The Ba(1)-O(1) bond length is 2.80 Å. The Ba(1)-O(4) bond length is 2.83 Å. The Ba(1)-O(5) bond length is 3.02 Å. The Ba(1)-O(8) bond length is 2.82 Å. The Ba(1)-O(9) bond length is 2.73 Å. There are a spread of Ba(1)-O(3) bond distances ranging from 2.81-3.04 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(3)O4 tetrahedra. Both V(1)-O(10) bond lengths are 2.00 Å. Both V(1)-O(5) bond lengths are 2.11 Å. Both V(1)-O(9) bond lengths are 2.01 Å. In the second V site, V(2) is bonded to one O(1), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The V(2)-O(1) bond length is 2.03 Å. The V(2)-O(11) bond length is 2.02 Å. The V(2)-O(2) bond length is 2.09 Å. The V(2)-O(4) bond length is 2.11 Å. The V(2)-O(6) bond length is 1.96 Å. The V(2)-O(8) bond length is 2.04 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-56°. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.62 Å. The P(2)-O(8) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. The P(3)-O(10) bond length is 1.52 Å. The P(3)-O(11) bond length is 1.51 Å. The P(3)-O(7) bond length is 1.62 Å. The P(3)-O(9) bond length is 1.55 Å. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. Both H(1)-O(2) bond lengths are 1.20 Å. There are eleven inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one P(1), and one H(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one V(1), and one P(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one P(3) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom.