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Materials Data on SmB4Rh7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1664820· OSTI ID:1664820
SmRh7B4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve Rh, and six B atoms. Both Sm–Sm bond lengths are 2.92 Å. There are a spread of Sm–Rh bond distances ranging from 3.13–3.20 Å. There are four shorter (3.21 Å) and two longer (3.22 Å) Sm–B bond lengths. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a square co-planar geometry to four equivalent Rh and four equivalent B atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Rh–Rh bond lengths. All Rh–B bond lengths are 2.17 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Sm, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.12 Å. All Rh–B bond lengths are 2.17 Å. In the fourth Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Sm, two equivalent Rh, and four B atoms. Both Rh–Rh bond lengths are 3.08 Å. All Rh–B bond lengths are 2.17 Å. In the fifth Rh site, Rh is bonded in a 2-coordinate geometry to fourteen Rh atoms. Both Rh–Rh bond lengths are 2.92 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Sm and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Sm and six 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:
1664820
Report Number(s):
mp-1219077
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
B-Rh-Sm
SmB4Rh7
crystal structure