Materials Data on NaRe3 by Materials Project

NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.71 Å) and six longer (3.13 Å) Na–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReNa4Re4 tetrahedra. All Re–Re bond lengths are 2.71 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Re atoms.