Materials Data on Sr2SiCl2O3 by Materials Project
Sr2SiO3Cl2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.81 Å. There are a spread of Sr–Cl bond distances ranging from 2.97–3.00 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Si4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to four equivalent Sr2+ atoms.