NaZr2(AsO4)3 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a distorted 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 range from 24-40°. 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 3-coordinate geometry to one Na(1), one Zr(1), and one As(1) atom.
NaZr2(AsO4)3 crystallizes in the trigonal R-3c space group. Na(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. All Na(1)-O(2) bond lengths are 2.55 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 2.07 Å. All Zr(1)-O(2) bond lengths are 2.14 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 range from 24-40°. 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 3-coordinate geometry to one Na(1), one Zr(1), and one As(1) atom.