SnPO4F crystallizes in the orthorhombic Pnma space group. Sn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form SnO4F2 octahedra that share corners with two equivalent Sn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms.
SnPO4F crystallizes in the orthorhombic Pnma space group. Sn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form SnO4F2 octahedra that share corners with two equivalent Sn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. The Sn(1)-O(1) bond length is 2.01 Å. The Sn(1)-O(3) bond length is 1.99 Å. Both Sn(1)-O(2) bond lengths are 1.99 Å. Both Sn(1)-F(1) bond lengths are 2.06 Å. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.53 Å. Both P(1)-O(2) bond lengths are 1.53 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms.