Materials Data on NpPt3 by Materials Project

Abstract

NpPt3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Np6+ sites. In the first Np6+ site, Np6+ is bonded to twelve Pt2- atoms to form a mixture of corner and face-sharing NpPt12 cuboctahedra. There are six shorter (2.90 Å) and six longer (2.99 Å) Np–Pt bond lengths. In the second Np6+ site, Np6+ is bonded to twelve Pt2- atoms to form a mixture of corner and face-sharing NpPt12 cuboctahedra. There are six shorter (2.90 Å) and six longer (2.98 Å) Np–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four Np6+ atoms to form a mixture of distorted corner and face-sharing PtNp4 cuboctahedra. In the second Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four Np6+ atoms.