Materials Data on Nd3Ni by Materials Project
Nd3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Nd3Ni sheets oriented in the (0, 0, 1) direction. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted L-shaped geometry to two equivalent Ni atoms. There are one shorter (2.85 Å) and one longer (2.92 Å) Nd–Ni bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni atoms. There are one shorter (2.85 Å) and one longer (2.98 Å) Nd–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Nd atoms.
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