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Materials Data on Lu(BRh)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202139· OSTI ID:1202139
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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1202139
Report Number(s):
mp-28001
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
B-Lu-Rh
Lu(BRh)4
crystal structure