Mooihoekite
Hall S R, Rowland J F
Acta Crystallographica B29 (1973) 2365-2372
The crystal structure of synthetic mooihoekite, Cu9Fe9S16
Locality: synthetic
_database_code_amcsd 0009489
10.585 10.585 5.383 90 90 90 P-42m
atom     x     y     z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CuM1 .2507 .2507 .4881 1.60   .021   .021   .019   .002   .002   .002
FeM2 .2423    .5     0 1.02   .013   .013   .012      0      0   .006
CuM3 .2583     0     0 1.31   .013   .018   .019      0      0   .003
FeM4    .5     0    .5  .90   .013   .010   .011      0      0      0
FeM5     0     0    .5 1.05   .015   .015   .011      0      0      0
CuM6    .5    .5    .5 1.40   .019   .019   .015      0      0      0
FeM7     0     0     0  .37   .003   .003   .008      0      0      0
FeM8    .5    .5     0 1.20   .017   .017   .011      0      0      0
S1   .1236 .3772 .2566 1.02   .010   .016   .012  -.002   .000  -.002
S2   .1237 .1237 .7497  .87   .011   .011   .011   .001  -.001  -.001
S3   .3733 .3733 .7645 1.01   .012   .012   .014  -.002   .000   .000