Materials Data on ReP3 by Materials Project

Abstract

ReP3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re7+ is bonded in a distorted body-centered cubic geometry to fourteen P+2.33- atoms. There are eight shorter (2.60 Å) and six longer (3.01 Å) Re–P bond lengths. There are two inequivalent P+2.33- sites. In the first P+2.33- site, P+2.33- is bonded in a body-centered cubic geometry to four equivalent Re7+ and four equivalent P+2.33- atoms. All P–P bond lengths are 2.60 Å. In the second P+2.33- site, P+2.33- is bonded in a 8-coordinate geometry to six equivalent Re7+ and eight equivalent P+2.33- atoms.