Materials Data on La2Ni3 by Materials Project

La2Ni3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to ten Ni atoms. There are a spread of La–Ni bond distances ranging from 2.95–3.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight equivalent La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiLa8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to six equivalent La and four Ni atoms. Both Ni–Ni bond lengths are 2.52 Å.