Materials Data on CsLaZr6FeCl18 by Materials Project

Kristin Persson
CsLaZr6FeCl18 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are six shorter (3.98 Å) and six longer (4.15 Å) Cs–Cl bond lengths. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent ZrFeCl5 octahedra. The corner-sharing octahedral tilt angles are 48°. All La–Cl bond lengths are 2.82 Å. Zr2+ is bonded to...
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