Materials Data on Pa3Re by Materials Project

Abstract

Pa3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing PaPa4Re4 tetrahedra. All Pa–Pa bond lengths are 3.05 Å. All Pa–Re bond lengths are 3.05 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Re atoms. All Pa–Re bond lengths are 3.53 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Pa atoms.