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Materials Data on ErBRh3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207394· OSTI ID:1207394
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°.
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:
1207394
Report Number(s):
mp-3769
Country of Publication:
United States
Language:
English

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