Materials Data on La3Ni by Materials Project
La3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a distorted L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.85 Å) and one longer (2.95 Å) La–Ni bond lengths. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.86 Å) and one longer (3.02 Å) La–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six La atoms.
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