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GaC3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga3+ is bonded to twelve equivalent C1- atoms to form a mixture of face and corner-sharing GaC12 cuboctahedra. All Ga–C bond lengths are 2.35 Å. C1- is bonded in a square co-planar geometry to four equivalent Ga3+ atoms.
CGa is Wurtzite structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four C3- atoms to form corner-sharing GaC4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.05 Å) Ga–C bond lengths. In the second Ga3+ site, Ga3+ is bonded to four C3- atoms to form corner-sharing GaC4 tetrahedra. There are one shorter (2.00 Å) and three longer (2.05 Å) Ga–C bond lengths. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded to four Ga3+ atoms to form corner-sharing CGa4 tetrahedra. In the second C3- site, C3- is bonded to four Ga3+ atoms to form corner-sharing CGa4 tetrahedra.