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ThB12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Th–B bond lengths are 2.83 Å. B is bonded in a 7-coordinate geometry to two equivalent Th and five equivalent B atoms. There is one shorter (1.75 Å) and four longer (1.81 Å) B–B bond length.
Th(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent B3- atoms to form distorted ThB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent ThB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Th–B bond distances ranging from 3.02–3.22 Å. Ru2+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent ThB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one ThB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent ThB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.16–2.31 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Th4+, five equivalent Ru2+, and one B3- atom. The B–B bond length is 1.81 Å.