KMoO2PO4 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one P(1) atom.
KMoO2PO4 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both K(1)-O(1) bond lengths are 2.80 Å. Both K(1)-O(2) bond lengths are 2.94 Å. Both K(1)-O(3) bond lengths are 3.01 Å. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. Both Mo(1)-O(1) bond lengths are 1.73 Å. Both Mo(1)-O(2) bond lengths are 2.02 Å. Both Mo(1)-O(3) bond lengths are 2.24 Å. P(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. Both P(1)-O(2) bond lengths are 1.57 Å. Both P(1)-O(3) bond lengths are 1.53 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one P(1) atom.