Materials Data on Mg3U by Materials Project

Abstract

Mg3U is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent U atoms. All Mg–Mg bond lengths are 3.17 Å. There are four shorter (3.62 Å) and two longer (3.74 Å) Mg–U bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent U atoms. All Mg–U bond lengths are 3.17 Å. U is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.