Materials Data on PuNi4 by Materials Project
PuNi4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 9-coordinate geometry to fourteen Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.82–2.91 Å. In the second Pu site, Pu is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.81–3.17 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to four Pu and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPu4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.50 Å. In the second Ni site, Ni is bonded to four Pu and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPu4Ni8 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pu and nine Ni atoms. There are one shorter (2.79 Å) and two longer (2.83 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Pu and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.45–2.88 Å.