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Materials Data on Ba(RhPb2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204841· OSTI ID:1204841
Ba(RhPb2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Pb atoms. There are four shorter (3.61 Å) and four longer (3.64 Å) Ba–Pb bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to three equivalent Rh and seven Pb atoms. There are two shorter (3.09 Å) and one longer (3.18 Å) Rh–Rh bond lengths. There are a spread of Rh–Pb bond distances ranging from 2.77–3.05 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.69–2.87 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the fourth Pb site, Pb is bonded in a 3-coordinate geometry to three Rh atoms.
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:
1204841
Report Number(s):
mp-30432
Country of Publication:
United States
Language:
English

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