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Materials Data on Cr2GeC by Materials Project

Cr2GeC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All Cr–Ge bond lengths are 2.61 Å. All Cr–C bond lengths are 1.98 Å. Ge is bonded in a 12-coordinate geometry to six equivalent Cr atoms. C is bonded to six equivalent Cr atoms to form edge-sharing CCr6 octahedra.

36 MATERIALS SCIENCE↗

Materials Data on Cr3GeC by Materials Project

GeCCr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted L-shaped geometry to three equivalent Ge and two equivalent C atoms. All Cr–Ge bond lengths are 2.54 Å. Both Cr–C bond lengths are 1.96 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent C atoms. Both Cr–Ge bond lengths are 2.58 Å. Both Cr–C bond lengths are 1.94 Å. Ge is bonded in a 8-coordinate geometry to eight Cr atoms. C is bonded to six Cr atoms to form a mixture of corner and edge-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 19°.

36 MATERIALS SCIENCE↗