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Materials Data on UB2Ru3 by Materials Project

URu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, twelve equivalent Ru, and six equivalent B atoms. Both U–U bond lengths are 2.97 Å. All U–Ru bond lengths are 3.13 Å. All U–B bond lengths are 3.19 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent B atoms. All Ru–B bond lengths are 2.18 Å. B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on U(BRu)4 by Materials Project

U(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. U4+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of U–B bond distances ranging from 2.96–3.22 Å. Ru2+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.14–2.26 Å. B3- is bonded in a 6-coordinate geometry to three equivalent U4+, five equivalent Ru2+, and one B3- atom. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗