BaZr(AsO4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded to two equivalent O(3) and four equivalent O(2) 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(3), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Zr(1), 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.
BaZr(AsO4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Both Ba(1)-O(1) bond lengths are 2.76 Å. All Ba(1)-O(2) bond lengths are 2.86 Å. Zr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra. Both Zr(1)-O(3) bond lengths are 2.07 Å. All Zr(1)-O(2) bond lengths are 2.14 Å. As(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. The As(1)-O(1) bond length is 1.69 Å. The As(1)-O(3) bond length is 1.71 Å. Both As(1)-O(2) bond lengths are 1.74 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1) and one As(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Zr(1), 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.