Materials Data on Y15Ni32 by Materials Project

Y15Ni32 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Y–Ni bond lengths are 2.99 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to nine Ni atoms. There are six shorter (2.76 Å) and three longer (3.18 Å) Y–Ni bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.86–3.01 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.79–3.19 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to six Y and six Ni atoms to form a mixture of face, edge, and corner-sharing NiY6Ni6 cuboctahedra. There are three shorter (2.47 Å) and three longer (2.50 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Y and six Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.73 Å. In the third Ni site, Ni is bonded to six Y and six Ni atoms to form a mixture of face, edge, and corner-sharing NiY6Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.54–2.57 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and six Ni atoms. All Ni–Ni bond lengths are 2.50 Å.