Materials Data on Y3Si2ClO8 by Materials Project
Y3Si2O8Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of Y–O bond distances ranging from 2.23–2.69 Å. The Y–Cl bond length is 2.95 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.55 Å. There are one shorter (2.80 Å) and one longer (2.92 Å) Y–Cl bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Y3+ and one Si4+ atom. Cl1- is bonded in a 4-coordinate geometry to four Y3+ atoms.