SrZr4(AsO4)6 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. There are four 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 bent 150 degrees geometry to one Zr(2) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Zr(2), and one As(1) atom.
SrZr4(AsO4)6 crystallizes in the trigonal R-3 space group. Sr(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(4) atoms. All Sr(1)-O(4) bond lengths are 2.63 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. All Zr(1)-O(1) bond lengths are 2.13 Å. All Zr(1)-O(3) bond lengths are 2.09 Å. In the second Zr site, Zr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. All Zr(2)-O(2) bond lengths are 2.05 Å. All Zr(2)-O(4) bond lengths are 2.17 Å. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. The As(1)-O(1) bond length is 1.71 Å. The As(1)-O(2) bond length is 1.71 Å. The As(1)-O(3) bond length is 1.70 Å. The As(1)-O(4) bond length is 1.73 Å. There are four 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 bent 150 degrees geometry to one Zr(2) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Zr(2), and one As(1) atom.