Materials Data on UGa by Materials Project

Abstract

U(Ga) crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to four U and four equivalent Ga atoms to form a mixture of edge and corner-sharing UU4Ga4 hexagonal bipyramids. There are two shorter (2.54 Å) and two longer (2.72 Å) U–U bond lengths. There are two shorter (3.00 Å) and two longer (3.08 Å) U–Ga bond lengths. In the second U site, U is bonded in a distorted q6 geometry to two equivalent U and eight Ga atoms. There are a spread of U–Ga bond distances ranging from 2.99–3.06 Å. In the third U site, U is bonded in a 9-coordinate geometry to three U and six Ga atoms. Both U–U bond lengths are 2.73 Å. There are a spread of U–Ga bond distances ranging from 3.02–3.18 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to six U and two equivalent Ga atoms. There are one shorter (2.69 Å) and one longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to six U and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å.