Materials Data on K2DyCl5 by Materials Project

Abstract

K2DyCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.44 Å. Dy3+ is bonded to seven Cl1- atoms to form distorted edge-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.70–2.79 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Dy3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4Dy trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Dy3+ atom. In the third Cl1- site, Cl1- is bonded to four equivalent K1+ and one Dy3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4Dy trigonal bipyramids. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Dy3+ atoms.