WPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(2)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second W site, W(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with two equivalent W(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom.
WPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(2)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Both W(1)-O(1) bond lengths are 2.04 Å. Both W(1)-O(2) bond lengths are 2.03 Å. Both W(1)-F(1) bond lengths are 2.10 Å. In the second W site, W(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form WO4F2 octahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Both W(2)-O(3) bond lengths are 2.03 Å. Both W(2)-O(4) bond lengths are 2.03 Å. Both W(2)-F(1) bond lengths are 2.10 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O4F2 octahedra and corners with two equivalent W(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.54 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom.