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Materials Data on K3EuCl6 by Materials Project

(K)2KEuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one KEuCl6 framework. In the KEuCl6 framework, K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent EuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 2.98 Å. Eu3+ is bonded to six equivalent Cl1- atoms to form EuCl6 octahedra that share corners with six equivalent KCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to one K1+ and one Eu3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on K2EuCl5 by Materials Project

K2EuCl5 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 3.24–3.44 Å. Eu3+ is bonded to seven Cl1- atoms to form distorted edge-sharing EuCl7 pentagonal bipyramids. There are a spread of Eu–Cl bond distances ranging from 2.80–2.90 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Eu3+ atom to form distorted ClK4Eu trigonal bipyramids that share corners with four equivalent ClK2Eu2 tetrahedra, corners with eight ClK4Eu trigonal bipyramids, edges with four equivalent ClK2Eu2 tetrahedra, an edgeedge with one ClK4Eu trigonal bipyramid, and a faceface with one ClK4Eu trigonal bipyramid. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Eu3+ atom. In the third Cl1- site, Cl1- is bonded to four equivalent K1+ and one Eu3+ atom to form distorted ClK4Eu trigonal bipyramids that share corners with eight equivalent ClK2Eu2 tetrahedra, corners with four equivalent ClK4Eu trigonal bipyramids, edges with two equivalent ClK2Eu2 tetrahedra, edges with three ClK4Eu trigonal bipyramids, and a faceface with one ClK4Eu trigonal bipyramid. In the fourth Cl1- site, Cl1- is bonded to two equivalent K1+ and two equivalent Eu3+ atoms to form distorted ClK2Eu2 tetrahedra that share corners with six equivalent ClK2Eu2 tetrahedra, corners with six ClK4Eu trigonal bipyramids, an edgeedge with one ClK2Eu2 tetrahedra, and edges with three ClK4Eu trigonal bipyramids.

36 MATERIALS SCIENCE↗