Research Article

Ab Initio Theoretical Investigation on the Geometrical and Electronic Structures of Gallium Aurides: and   

Table 1

Full valency, covalency, and electrovalency indices, covalent percentages, and natural atomic charges () calculated for anions.

IsomersAtomValencyCovalencyElectrovalencyCovalent percentage

1    GaAuGa1.020.410.610.40−0.44
Au1.020.410.610.40−0.56
5    Ga2.030.871.150.430.05
Au1.010.440.580.44−0.53
9    Ga2.851.531.320.540.08
Au0.960.510.450.53−0.36
11    Ga3.772.950.820.78−0.34
Au0.940.740.200.79−0.17