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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmB2Rh3 by Materials Project

SmRh3B2 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 Rh, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.14 Å. All Sm–Rh bond lengths are 3.16 Å. All Sm–B bond lengths are 3.16 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmBRh3 by Materials Project

SmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Rh atoms to form SmRh12 cuboctahedra that share corners with twelve equivalent SmRh12 cuboctahedra, faces with six equivalent SmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Sm–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Sm and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhSm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent SmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(BRh)4 by Materials Project

SmRh4B4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.99 Å) and eight longer (3.19 Å) Sm–Rh bond lengths. There are eight shorter (3.05 Å) and four longer (3.17 Å) Sm–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Sm and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.26 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm, five equivalent Rh, and one B atom. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗