Cs2Hf(WO4)3 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Hf(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form HfO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one W(1), and one W(2) atom.
Cs2Hf(WO4)3 crystallizes in the monoclinic C2 space group. Cs(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Cs(1)-O(1) bond length is 3.49 Å. The Cs(1)-O(2) bond length is 3.18 Å. The Cs(1)-O(3) bond length is 3.44 Å. The Cs(1)-O(4) bond length is 3.23 Å. The Cs(1)-O(5) bond length is 3.16 Å. The Cs(1)-O(6) bond length is 3.51 Å. Hf(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form HfO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. Both Hf(1)-O(2) bond lengths are 2.07 Å. Both Hf(1)-O(3) bond lengths are 2.07 Å. Both Hf(1)-O(5) bond lengths are 2.08 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. The W(1)-O(3) bond length is 1.91 Å. The W(1)-O(4) bond length is 1.95 Å. The W(1)-O(5) bond length is 1.91 Å. The W(1)-O(6) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (1.97 Å) W(1)-O(1) bond length. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Hf(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. Both W(2)-O(2) bond lengths are 1.91 Å. Both W(2)-O(4) bond lengths are 1.96 Å. Both W(2)-O(6) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Hf(1), and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one W(1), and one W(2) atom.