Materials Data on Si3Mo by Materials Project
MoSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing MoSi12 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.81 Å) Mo–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent Mo4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.89 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:
- 1315941
- Report Number(s):
- mp-978525
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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