CuTlPO4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(1), and one P(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one P(1) atom.
CuTlPO4 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. The Cu(1)-O(3) bond length is 1.94 Å. The Cu(1)-O(4) bond length is 1.94 Å. Both Cu(1)-O(1) bond lengths are 1.99 Å. Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. The Tl(1)-O(3) bond length is 2.72 Å. There is one shorter (2.63 Å) and one longer (2.75 Å) Tl(1)-O(2) bond length. 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 1.60 Å. The P(1)-O(2) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Tl(1), and one P(1) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tl(1) and one P(1) atom.