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Materials Data on TbBRh3 by Materials Project

TbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Rh atoms to form TbRh12 cuboctahedra that share corners with twelve equivalent TbRh12 cuboctahedra, faces with six equivalent TbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tb–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Tb and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing RhTb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.11 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 TbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Tb2(B2Rh3)3 by Materials Project

Tb2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Tb–Rh bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four B atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to six Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb(BRh)4 by Materials Project

Tb(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.97 Å) and eight longer (3.18 Å) Tb–Rh bond lengths. There are eight shorter (3.04 Å) and four longer (3.15 Å) Tb–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Tb and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. B is bonded in a 6-coordinate geometry to three equivalent Tb, five equivalent Rh, and one B atom. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗

Materials Data on TbB2Rh3 by Materials Project

TbRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Tb, twelve equivalent Rh, and six equivalent B atoms. Both Tb–Tb bond lengths are 3.14 Å. All Tb–Rh bond lengths are 3.14 Å. All Tb–B bond lengths are 3.14 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Tb and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗