Si3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to four equivalent Si(2) and four equivalent As(1) atoms. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Si(1) atoms. As(1) is bonded in a body-centered cubic geometry to eight equivalent Si(1) atoms.
Si3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to four equivalent Si(2) and four equivalent As(1) atoms. All Si(1)-Si(2) bond lengths are 2.76 Å. All Si(1)-As(1) bond lengths are 2.76 Å. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Si(1) atoms. As(1) is bonded in a body-centered cubic geometry to eight equivalent Si(1) atoms.