KPO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(3), and three equivalent O(5) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one P(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(2) and one P(2) atom.
KPO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(3), and three equivalent O(5) atoms. The K(1)-O(6) bond length is 2.68 Å. There are a spread of K(1)-O(3) bond distances ranging from 2.81-3.02 Å. There are a spread of K(1)-O(5) bond distances ranging from 2.75-2.91 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(6), and three equivalent O(4) atoms. The K(2)-O(1) bond length is 2.82 Å. The K(2)-O(2) bond length is 3.03 Å. The K(2)-O(3) bond length is 2.97 Å. There is one shorter (2.76 Å) and one longer (3.03 Å) K(2)-O(6) bond length. There are a spread of K(2)-O(4) bond distances ranging from 2.73-2.82 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.63 Å. The P(1)-O(5) bond length is 1.48 Å. The P(1)-O(6) bond length is 1.48 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(1) bond length is 1.62 Å. The P(2)-O(2) bond length is 1.61 Å. The P(2)-O(3) bond length is 1.49 Å. The P(2)-O(4) bond length is 1.48 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to three equivalent K(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one K(2), one P(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent K(2) and one P(2) atom.