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DOE OSTI · 1204259

Materials Data on Cr3GeC by Materials Project

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Abstract

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°.

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2020-07-16. Materials Data on Cr3GeC by Materials Project. https://doi.org/10.17188/1204259

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