Eskebornite
Delgado J M, Diaz de Delgado G, Quintero M, Woolley J C
Materials Research Bulletin 27 (1992) 367-373
The crystal structure of copper iron selenide, CuFeSe2
Locality: synthetic
_database_code_amcsd 0014365
5.530 5.530 11.049 90 90 90 P-42c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1      0     0     0  .0033  .0033  .0053      0      0      0
Cu2      0     0   .25  .0326  .0132  .0139      0      0      0
Fe       0    .5 .0001  .0118  .0044  .0146 -.0046      0      0
Se   .2487 .2597 .1254  .0014  .0085  .0088   .000  .0017  .0008