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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmB2Ru3 by Materials Project

SmRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Ru, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.04 Å. All Sm–Ru bond lengths are 3.16 Å. All Sm–B bond lengths are 3.20 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent B atoms. All Ru–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(BRu)4 by Materials Project

SmRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent B3- atoms to form distorted SmB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent SmB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Sm–B bond distances ranging from 2.99–3.23 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent SmB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one SmB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent SmB12 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 Sm3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗