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Title: Materials Data on Sc4Ge6Rh7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1265155· OSTI ID:1265155

Sc4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent Ge atoms to form ScGe6Rh6 cuboctahedra that share corners with twelve equivalent ScGe6Rh6 cuboctahedra, faces with six equivalent ScGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Sc–Rh bond lengths are 2.90 Å. All Sc–Ge bond lengths are 2.94 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent ScGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.57 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Rh atoms.

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:
1265155
Report Number(s):
mp-541558
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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