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Materials Data on Lu2CCl2 by Materials Project

Lu2CCl2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Lu2CCl2 sheets oriented in the (0, 0, 1) direction. Lu3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing LuC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–C bond lengths are 2.46 Å. All Lu–Cl bond lengths are 2.71 Å. C4- is bonded to six equivalent Lu3+ atoms to form edge-sharing CLu6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms.

36 MATERIALS SCIENCE↗