KZr2(AsO4)3 crystallizes in the trigonal R-3c space group. K(1) is bonded in a hexagonal planar geometry to six equivalent O(2) atoms. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(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 As(1) atom.
KZr2(AsO4)3 crystallizes in the trigonal R-3c space group. K(1) is bonded in a hexagonal planar geometry to six equivalent O(2) atoms. All K(1)-O(2) bond lengths are 2.87 Å. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. All Zr(1)-O(1) bond lengths are 2.09 Å. All Zr(1)-O(2) bond lengths are 2.12 Å. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. Both As(1)-O(1) bond lengths are 1.71 Å. Both As(1)-O(2) bond lengths are 1.71 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(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 As(1) atom.