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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu(BRh)4 by Materials Project

Lu(RhB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are a spread of Lu–Rh bond distances ranging from 2.90–3.25 Å. There are a spread of Lu–B bond distances ranging from 2.95–3.25 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.26 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(BRh)4 by Materials Project

Lu(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.94 Å) and eight longer (3.17 Å) Lu–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.14 Å) Lu–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(BRh)4 by Materials Project

Lu(RhB)4 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.95–3.19 Å. There are a spread of Lu–B bond distances ranging from 2.97–3.18 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.88–3.25 Å. There are a spread of Lu–B bond distances ranging from 2.95–3.27 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to three Lu and five B atoms. There are a spread of Rh–B bond distances ranging from 2.16–2.27 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.26 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to three Lu and five B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three Lu, five Rh, and one B atom. The B–B bond length is 1.77 Å. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Lu, five Rh, and one B atom. The B–B bond length is 1.76 Å. In the third B site, B is bonded in a 6-coordinate geometry to three Lu, five Rh, and one B atom.

36 MATERIALS SCIENCE↗