Bornite
Koto K, Morimoto N
Acta Crystallographica B31 (1975) 2268-2273
Superstructure investigation of bornite, Cu5FeS4, by the modified partial
Patterson function
Locality: Cornwall, England
_database_code_amcsd 0009542
10.950 21.862 10.950 90 90 90 Pbca
atom       x      y      z occ Biso
S1     .0046 -.0006  .2541      .74
S2     .0026  .2505  .2530      1.3
S3     .2446  .1251  .2574      .90
S4     .2518  .0015  .5073      .81
S5     .0016  .1271  .4963     1.08
S6    -.0066  .1229 -.0077      .88
S7     .2541  .1217  .7475      .94
S8     .2452  .2476  .4963      .98
CuM1   .1331  .0573  .3688 5/6 2.41
FeM1   .1331  .0573  .3688 1/6 2.41
CuM2   .1053  .0619  .6223 5/6 3.17
FeM2   .1053  .0619  .6223 1/6 3.17
CuM3   .3912  .0593  .3708 5/6 2.74
FeM3   .3912  .0593  .3708 1/6 2.74
CuM4   .3766  .0598  .6318 5/6 1.79
FeM4   .3766  .0598  .6318 1/6 1.79
CuM5   .1192  .1901  .3727 5/6 1.84
FeM5   .1192  .1901  .3727 1/6 1.84
CuM6   .1248  .1871  .6440 5/6 2.77
FeM6   .1248  .1871  .6440 1/6 2.77
CuM7   .3777  .1906  .3588 5/6 2.86
FeM7   .3777  .1906  .3588 1/6 2.86
CuM8   .3804  .1934  .6170 5/6 2.38
FeM8   .3804  .1934  .6170 1/6 2.38
CuM9   .1442  .0698  .8917 5/6 3.25
FeM9   .1442  .0698  .8917 1/6 3.25
CuM10  .3424  .0790  .0963 5/6 3.99
FeM10  .3424  .0790  .0963 1/6 3.99
CuM11  .1409  .1761  .1014 5/6 3.48
FeM11  .1409  .1761  .1014 1/6 3.48
CuM12  .3495  .1771  .8990 5/6 3.79
FeM12  .3495  .1771  .8990 1/6 3.79