General Data

CaCuO2

Structure
Lattice Parameter: 7.297000 a.u.
Crystal Structure: b/a= 1.000000 , c/a= 0.8290000
1.0 , 0.0 , 0.0
0.0 , 1.0 , 0.0
0.0 , 0.0 , 1.0
Basis Atoms:
Ca @ 1 1/2 , 1/2 , 1/2
Cu @ 2 0.0 , 0.0 , 0.0
O @ 3 0.0 , 1/2 , 0.0
O @ 4 1/2 , 0.0 , 0.0