Materials Data on Si3Se by Materials Project
Si3Se is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Si+1.33- and four equivalent Se4+ atoms. All Si–Si bond lengths are 2.78 Å. All Si–Se bond lengths are 2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms. Se4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms.
36 MATERIALS SCIENCE↗