TlP2HO7 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded to one O(1), one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Tl(1)O6 octahedra. There are two 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 four equivalent Tl(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Tl(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-52°. H(1) is bonded in a single-bond geometry to one O(6) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Tl(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Tl(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.
TlP2HO7 crystallizes in the monoclinic P2_1/c space group. Tl(1) is bonded to one O(1), one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Tl(1)O6 octahedra. The Tl(1)-O(1) bond length is 2.22 Å. The Tl(1)-O(2) bond length is 2.23 Å. The Tl(1)-O(5) bond length is 2.28 Å. The Tl(1)-O(7) bond length is 2.22 Å. There is one shorter (2.33 Å) and one longer (2.35 Å) Tl(1)-O(3) bond length. There are two 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 four equivalent Tl(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-62°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Tl(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-52°. The P(2)-O(4) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.51 Å. H(1) is bonded in a single-bond geometry to one O(6) atom. The H(1)-O(6) bond length is 0.99 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Tl(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Tl(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.