General Data

MgCNi3

The following data have calculated and added to the database by Seung Choi, the student of the Bloomfield High School, 165 Broad Street, Bloomfield, NJ 07003. Summer 2003, New Jersey Institute of Technology.

Structure
Lattice Parameter: 7.206000 a.u.
Crystal Structure: b/a= 1.000000 , c/a= 1.000000
1 , 0 , 0
0 , 1 , 0
0 , 0 , 1
Basis Atoms:
Ni @ 1 0.5 , 0.5 , 0.0
Ni @ 2 0.5 , 0.0 , 0.5
Ni @ 3 0.0 , 0.5 , 0.5
C @ 4 0.5 , 0.5 , 0.5
Mg @ 5 0.0 , 0.0 , 0.0