Zr(KPO4)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), and one P(1) atom.
Zr(KPO4)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. All K(1)-O(2) bond lengths are 2.91 Å. There is one shorter (2.64 Å) and three longer (3.03 Å) K(1)-O(1) bond lengths. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Zr(1)-O(2) bond lengths are 2.11 Å. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. The P(1)-O(1) bond length is 1.52 Å. All P(1)-O(2) bond lengths are 1.56 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), and one P(1) atom.