GaSe
InSe
t 1 = ( − a , 0 , 0 )
t 2 = ( − a / 2 , a 3 / 2 , 0 )
t 3 = ( 0 , 0 , c )
a = 3.755 Å , c = 15.94 Å
a = 4.05 Å , c = 16.64 Å
Se I : ( 1 / 3 , 2 / 3 , 0.1003 )
Se I : ( 1 / 3 , 2 / 3 , 0.0907 )
Ga I : ( 0 , 0 , 0.1701 )
In I : ( 0 , 0 , 0.1677 )
Ga II : ( 0 , 0 , 0.3299 )
In II : ( 0 , 0 , 0.3233 )
Se II : ( 1 / 3 , 2 / 3 , 0.3997 )
Se II : ( 1 / 3 , 2 / 3 , 0.4093 )
Se III : ( 2 / 3 , 1 / 3 , 0.6003 )
Se III : ( 2 / 3 , 1 / 3 , 0.5907 )
Ga III : ( 1 / 3 , 2 / 3 , 0.6701 )
In III : ( 1 / 3 , 2 / 3 , 0.6677 )
Ga IV : ( 1 / 3 , 2 / 3 , 0.8299 )
In IV : ( 1 / 3 , 2 / 3 , 0.8323 )
Se IV : ( 2 / 3 , 1 / 3 , 0.8997 )
Se IV : ( 2 / 3 , 1 / 3 , 0.9093 )
MoS2
WS2
a = 3.122 Å , c = 12.32 Å
a = 3.153 Å , c = 12.323 Å
S I : ( 1 / 3 , 2 / 3 , 0.1250 )
S I : ( 1 / 3 , 2 / 3 , 0.0907 )
Mo I : ( 0 , 0 , 0.2500 )
W I : ( 0 , 0 , 0.1677 )
S II : ( 1 / 3 , 2 / 3 , 0.3750 )
S II : ( 1 / 3 , 2 / 3 , 0.4093 )
S III : ( 2 / 3 , 1 / 3 , 0.6250 )
S III : ( 2 / 3 , 1 / 3 , 0.5097 )
Mo III : ( 1 / 3 , 2 / 3 , 0.7500 )
W III : ( 1 / 3 , 2 / 3 , 0.6677 )
S IV : ( 2 / 3 , 1 / 3 , 0.8750 )
S IV : ( 2 / 3 , 1 / 3 , 0.9093 )