LaSiO3F crystallizes in the hexagonal P-62c space group. La(1) is bonded in a 7-coordinate geometry to four equivalent O(2), one F(1), and two equivalent F(2) atoms. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Si(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms.
LaSiO3F crystallizes in the hexagonal P-62c space group. La(1) is bonded in a 7-coordinate geometry to four equivalent O(2), one F(1), and two equivalent F(2) atoms. There are two shorter (2.47 Å) and two longer (2.52 Å) La(1)-O(2) bond lengths. The La(1)-F(1) bond length is 2.51 Å. Both La(1)-F(2) bond lengths are 2.42 Å. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.67 Å) and one longer (1.68 Å) Si(1)-O(1) bond length. Both Si(1)-O(2) bond lengths are 1.59 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Si(1) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the second F site, F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms.