K3TlCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to two equivalent K(2), one Tl(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Tl(1), and one P(1) atom.
K3TlCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. The K(1)-O(2) bond length is 2.75 Å. The K(1)-O(3) bond length is 2.79 Å. There is one shorter (2.82 Å) and one longer (2.96 Å) K(1)-O(1) bond length. Both K(1)-O(4) bond lengths are 2.80 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The K(2)-O(1) bond length is 2.73 Å. The K(2)-O(2) bond length is 2.90 Å. The K(2)-O(3) bond length is 2.85 Å. The K(2)-O(5) bond length is 2.68 Å. The K(2)-O(6) bond length is 2.70 Å. There is one shorter (2.87 Å) and one longer (3.20 Å) K(2)-O(4) bond length. Tl(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The Tl(1)-O(2) bond length is 2.70 Å. The Tl(1)-O(3) bond length is 2.71 Å. The Tl(1)-O(5) bond length is 2.46 Å. The Tl(1)-O(6) bond length is 2.53 Å. Both Tl(1)-O(4) bond lengths are 2.54 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.31 Å. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.55 Å. Both P(1)-O(4) bond lengths are 1.57 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to two equivalent K(2), one Tl(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Tl(1), and one P(1) atom.