Materials Data on Pr2Cl3O16 by Materials Project

Abstract

Pr2O16Cl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.29–3.04 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Pr and one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Pr and one O atom. The O–O bond length is 1.39 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.47 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.46 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Pr and one Cl atom. The O–Cl bond length is 1.46 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.46 Å. In the eighth O site, O is bonded in a 3-coordinate geometry to two equivalent Pr and one O atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.