Materials Data on Ce(Sb3Ru)4 by Materials Project
CeRu4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent Sb1- atoms to form CeSb12 cuboctahedra that share faces with eight equivalent RuSb6 octahedra. All Ce–Sb bond lengths are 3.50 Å. Ru+2.25+ is bonded to six equivalent Sb1- atoms to form RuSb6 octahedra that share corners with six equivalent RuSb6 octahedra and faces with two equivalent CeSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. All Ru–Sb bond lengths are 2.63 Å. Sb1- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Ru+2.25+, and two equivalent Sb1- atoms. There are one shorter (2.96 Å) and one longer (3.03 Å) Sb–Sb bond lengths.
- 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:
- 1679917
- Report Number(s):
- mp-1189811
- Country of Publication:
- United States
- Language:
- English
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