ZrW2O8 crystallizes in the cubic P2_13 space group. Zr(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with three equivalent W(2)O4 tetrahedra and corners with three equivalent W(1)O5 trigonal bipyramids. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), and three equivalent O(4) atoms to form distorted WO5 trigonal bipyramids that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the second W site, W(2) is bonded to one O(2) and three equivalent O(3) atoms to form WO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Zr(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(1) atom.
ZrW2O8 crystallizes in the cubic P2_13 space group. Zr(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with three equivalent W(2)O4 tetrahedra and corners with three equivalent W(1)O5 trigonal bipyramids. All Zr(1)-O(3) bond lengths are 2.15 Å. All Zr(1)-O(4) bond lengths are 2.07 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), and three equivalent O(4) atoms to form distorted WO5 trigonal bipyramids that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. The W(1)-O(1) bond length is 1.75 Å. The W(1)-O(2) bond length is 2.34 Å. All W(1)-O(4) bond lengths are 1.86 Å. In the second W site, W(2) is bonded to one O(2) and three equivalent O(3) atoms to form WO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 7°. The W(2)-O(2) bond length is 1.78 Å. All W(2)-O(3) bond lengths are 1.82 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Zr(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(1) atom.