Materials Data on CeCuSi by Materials Project
CeCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing CeSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ce–Si bond lengths are 3.12 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Ce3+ and three equivalent Cu1+ atoms.
- 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:
- 1198940
- Report Number(s):
- mp-22740
- Country of Publication:
- United States
- Language:
- English
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