Materials Data on Si2H6O by Materials Project
Si2H6O is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four disiloxane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one O2- atom to form corner-sharing SiH3O tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–O bond length is 1.66 Å. In the second Si site, Si is bonded to three H+0.33+ and one O2- atom to form corner-sharing SiH3O tetrahedra. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. The Si–O bond length is 1.65 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. O2- is bonded in a bent 150 degrees geometry to two 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:
- 1202102
- Report Number(s):
- mp-27949
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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