Materials Data on CaSi2 by Materials Project
CaSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing CaSi12 cuboctahedra. All Ca–Si bond lengths are 3.17 Å. Si is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Si atoms. All Si–Si bond lengths are 2.36 Å.
- 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:
- 1189248
- Report Number(s):
- mp-12892
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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