Materials Data on Fe2NiC by Materials Project
Fe2NiC is Cementite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Fe2NiC sheets oriented in the (0, 0, 1) direction. Fe is bonded in a distorted water-like geometry to two equivalent C atoms. There is one shorter (1.98 Å) and one longer (2.00 Å) Fe–C bond length. Ni is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.94 Å) and one longer (1.99 Å) Ni–C bond length. C is bonded in a 6-coordinate geometry to four equivalent Fe and two equivalent Ni atoms.
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