Materials Data on LaSiO3F by Materials Project
LaSiO3F crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six O2- and three F1- atoms. There are a spread of La–O bond distances ranging from 2.49–2.94 Å. There are two shorter (2.43 Å) and one longer (2.54 Å) La–F bond lengths. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent La3+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one Si4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms.