Materials Data on KPr(ClO)4 by Materials Project

Abstract

KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) K–O bond lengths. There are two shorter (3.10 Å) and two longer (3.59 Å) K–Cl bond lengths. Pr is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Pr–O bond lengths are 2.42 Å. There are two shorter (2.72 Å) and two longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Pr, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Pr and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent K and one Pr atom.