Materials Data on Si3O by Materials Project
Si3O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. There are one shorter (2.48 Å) and one longer (2.49 Å) Si–Si bond lengths. The Si–O bond length is 1.62 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.48 Å) and one longer (2.51 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. The Si–O bond length is 1.65 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent Si atoms.
- 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:
- 1261649
- Report Number(s):
- mp-32881
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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