Tl2PO4 crystallizes in the monoclinic Pc space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth Tl site, Tl(4) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(3), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(4) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Tl(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1) and one P(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom.
Tl2PO4 crystallizes in the monoclinic Pc space group. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. The Tl(1)-O(1) bond length is 2.77 Å. The Tl(1)-O(4) bond length is 2.54 Å. The Tl(1)-O(6) bond length is 2.68 Å. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. The Tl(2)-O(1) bond length is 2.67 Å. The Tl(2)-O(2) bond length is 2.67 Å. The Tl(2)-O(4) bond length is 2.65 Å. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one O(2) atom. The Tl(3)-O(2) bond length is 2.57 Å. In the fourth Tl site, Tl(4) is bonded in a rectangular see-saw-like geometry to one O(3), one O(5), one O(7), and one O(8) atom. The Tl(4)-O(3) bond length is 2.19 Å. The Tl(4)-O(5) bond length is 2.12 Å. The Tl(4)-O(7) bond length is 2.29 Å. The Tl(4)-O(8) bond length is 2.21 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.60 Å. The P(1)-O(4) bond length is 1.55 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The P(2)-O(5) bond length is 1.61 Å. The P(2)-O(6) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.60 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(2), one Tl(3), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Tl(4) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(1), one Tl(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Tl(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Tl(1) and one P(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Tl(4) and one P(2) atom.