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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErB4Rh by Materials Project

ErRhB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.61–2.77 Å. Rh3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Rh–B bond distances ranging from 2.25–2.42 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and two longer (1.86 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.76 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Rh3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(BRh)4 by Materials Project

ErRh4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are a spread of Er–Rh bond distances ranging from 2.91–3.26 Å. There are a spread of Er–B bond distances ranging from 2.96–3.26 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Er and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.27 Å. B is bonded in a 6-coordinate geometry to three equivalent Er, five equivalent Rh, and one B atom. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErBRh3 by Materials Project

ErRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Rh atoms to form ErRh12 cuboctahedra that share corners with twelve equivalent ErRh12 cuboctahedra, faces with six equivalent ErRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Er–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhEr4B2 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 ErRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErB2Rh3 by Materials Project

ErRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Rh, and six equivalent B atoms. Both Er–Er bond lengths are 3.12 Å. All Er–Rh bond lengths are 3.13 Å. All Er–B bond lengths are 3.13 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Er 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 Er and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(BRh)4 by Materials Project

ErRh4B4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.95 Å) and eight longer (3.18 Å) Er–Rh bond lengths. There are eight shorter (3.03 Å) and four longer (3.16 Å) Er–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Er 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 Er, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗