KMn2O(PO4)(HPO4) crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(7), and four equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-60°. In the second P site, P(2) is bonded to one O(3), one O(5), and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-51°. H(1) is bonded in a single-bond geometry to one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one P(2) atom.
KMn2O(PO4)(HPO4) crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(7), and four equivalent O(6) atoms. The K(1)-O(2) bond length is 3.08 Å. The K(1)-O(5) bond length is 2.73 Å. Both K(1)-O(7) bond lengths are 2.90 Å. There are two shorter (2.68 Å) and two longer (2.97 Å) K(1)-O(6) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Both Mn(1)-O(2) bond lengths are 1.96 Å. Both Mn(1)-O(6) bond lengths are 1.97 Å. Both Mn(1)-O(7) bond lengths are 2.28 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The Mn(2)-O(1) bond length is 1.99 Å. The Mn(2)-O(2) bond length is 1.95 Å. The Mn(2)-O(3) bond length is 1.93 Å. The Mn(2)-O(4) bond length is 1.98 Å. Both Mn(2)-O(7) bond lengths are 2.30 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-60°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.53 Å. Both P(1)-O(6) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(3), one O(5), and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-51°. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.60 Å. Both P(2)-O(7) bond lengths are 1.54 Å. H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.98 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one K(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one P(2) atom.