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Materials Data on Ca3Ge3(RhO6)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1685449· OSTI ID:1685449
Ca3Ge3(RhO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.41 Å) and four longer (2.53 Å) Ca–O bond lengths. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Rh–O bond lengths are 2.08 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent RhO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Rh3+, and one Ge4+ atom.
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:
1685449
Report Number(s):
mp-1214274
Country of Publication:
United States
Language:
English

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