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Materials Data on GaSi3 by Materials Project

GaSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ga–Si bond lengths are 2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.74 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

36 MATERIALS SCIENCE↗

Materials Data on GaSi3 by Materials Project

GaSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga is bonded to twelve Si atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are four shorter (2.62 Å) and eight longer (2.96 Å) Ga–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the second Si site, Si is bonded in a square co-planar geometry to four equivalent Ga atoms.

36 MATERIALS SCIENCE↗