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Title: Materials Data on DyBRh3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205929· OSTI ID:1205929

DyRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Rh atoms to form DyRh12 cuboctahedra that share corners with twelve equivalent DyRh12 cuboctahedra, faces with six equivalent DyRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Dy–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Dy and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhDy4B2 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 DyRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1205929
Report Number(s):
mp-3183
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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