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Materials Data on HoBRh3 by Materials Project

HoRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Rh atoms to form HoRh12 cuboctahedra that share corners with twelve equivalent HoRh12 cuboctahedra, faces with six equivalent HoRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ho–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Ho and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.10 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 HoRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on HoB2Rh3 by Materials Project

HoRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve equivalent Rh, and six equivalent B atoms. Both Ho–Ho bond lengths are 3.13 Å. All Ho–Rh bond lengths are 3.13 Å. All Ho–B bond lengths are 3.13 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Rh–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho(BRh)4 by Materials Project

Ho(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.96 Å) and eight longer (3.17 Å) Ho–Rh bond lengths. There are eight shorter (3.03 Å) and four longer (3.14 Å) Ho–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Ho and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.24 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho, five equivalent Rh, and one B atom. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ho2B6Rh by Materials Project

Ho2RhB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Rh and fourteen B atoms. There are a spread of Ho–Rh bond distances ranging from 3.07–3.18 Å. There are a spread of Ho–B bond distances ranging from 2.73–2.81 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to two equivalent Rh and twelve B atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Ho–Rh bond lengths. There are a spread of Ho–B bond distances ranging from 2.61–2.63 Å. Rh is bonded in a 12-coordinate geometry to five Ho and ten B atoms. There are a spread of Rh–B bond distances ranging from 2.35–2.42 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Ho and three B atoms. There are a spread of B–B bond distances ranging from 1.78–2.16 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Rh, and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Ho, two equivalent Rh, and three B atoms. There is one shorter (1.80 Å) and two longer (1.81 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Rh, and three B atoms. The B–B bond length is 1.84 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Rh, and three B atoms. The B–B bond length is 1.83 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Ho, two equivalent Rh, and three B atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho2(B2Rh3)3 by Materials Project

Ho2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to one Ho, twelve Rh, and six equivalent B atoms. The Ho–Ho bond length is 3.50 Å. There are six shorter (3.01 Å) and six longer (3.30 Å) Ho–Rh bond lengths. All Ho–B bond lengths are 3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four B atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Rh–B bond lengths are 2.16 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 three equivalent Ho and six Rh atoms.

36 MATERIALS SCIENCE↗