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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ThB2Ru3 by Materials Project

ThRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to two equivalent Th, twelve equivalent Ru, and six equivalent B atoms. Both Th–Th bond lengths are 3.08 Å. All Th–Ru bond lengths are 3.18 Å. All Th–B bond lengths are 3.21 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(BRu)4 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(BRu)2 by Materials Project

Th(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Th–Ru bond lengths are 3.02 Å. There are two shorter (2.88 Å) and four longer (3.08 Å) Th–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Th and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Th and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗