General Data

La2CuO4

Structure
Lattice Parameter: 7.149000 a.u.
Crystal Structure: b/a= 1.000000 , c/a= 3.503370
-1/2 , 1/2 , 1/2
1/2 ,-1/2 , 1/2
1/2 , 1/2 ,-1/2
Basis Atoms:
Cu @ 1 0.0 , 0.0 , 0.0
La @ 2 0.0 , 0.0 ,-0.3607
La @ 3 0.0 , 0.0 , 0.3607
O1 @ 4 0.0 , 1/2 , 0.0
O1 @ 5 1/2 , 0.0 , 0.0
O2 @ 6 0.0 , 0.0 , 0.1824
O2 @ 7 0.0 , 0.0 ,-0.1824