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DOE OSTI2020

Materials Data on Rb2UBr6 by Materials Project

Rb2UBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent UBr6 octahedra. All Rb–Br bond lengths are 3.96 Å. U4+ is bonded to six equivalent Br1- atoms to form UBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All U–Br bond lengths are 2.78 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one U4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2UBr6 by Materials Project

Rb2UBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.73 Å) and four longer (3.97 Å) Rb–Br bond lengths. U4+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.77 Å) and four longer (2.79 Å) U–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one U4+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one U4+ atom.

36 MATERIALS SCIENCE↗