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Materials Data on Li3Cr2(GeO4)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1329279· OSTI ID:1329279
Li3Cr2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.45 Å) Li–O bond lengths. Cr+4.50+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Cr–O bond lengths are 1.93 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.77 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr+4.50+, 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:
1329279
Report Number(s):
mp-1012879
Country of Publication:
United States
Language:
English

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