Rowland J F, Hall S R
Acta Crystallographica B31 (1975) 2105-2112
Haycockite, Cu4Fe5S8: a superstructure in the chalcopyrite series
Locality: Lydenburg District, Transvaal, South Africa
10.705 10.734 31.630 90 90 90 P222
atom x y z Biso
Cu1 .257 0 0 1.58
Cu2 .257 .5 0 1.58
Cu3 .25 0 .5 1.58
Cu4 .248 .5 .5 1.58
Cu5 -.005 .249 .164 1.87
Cu6 .489 .25 .163 1.87
Cu7 .002 .249 .336 1.87
Cu8 .498 .25 .336 1.87
Cu9 .252 .245 .086 1.68
Cu10 .246 .748 .086 1.68
Cu11 .249 .251 .414 1.68
Cu12 .251 .751 .415 1.68
Cu13 0 0 .25 1.52
Cu14 .5 0 .25 1.52
Cu15 0 .5 .25 1.52
Cu16 .5 .5 .25 1.52
Fe1 0 .255 0 .89
Fe2 .5 .259 0 .89
Fe3 0 .247 .5 .89
Fe4 .5 .252 .5 .89
Fe5 .251 -.001 .165 .73
Fe6 .248 .488 .166 .73
Fe7 .251 -.002 .335 .73
Fe8 .249 .499 .334 .73
Fe9 0 0 .086 .87
Fe10 .5 0 .086 .87
Fe11 0 .5 .086 .87
Fe12 .5 .5 .086 .87
Fe13 0 0 .414 .87
Fe14 .5 0 .414 .87
Fe15 0 .5 .414 .87
Fe16 .5 .5 .414 .87
Fe17 .251 .249 .25 .71
Fe18 .25 .75 .25 .71
Fe19 .251 -.001 .25 .81
Fe20 .249 .5 .25 .81
Fe21 0 0 0 1.24
Fe22 .5 .5 0 1.24
Fe23 .5 0 .5 1.24
Fe24 0 .5 .5 1.24
S1 .119 .127 .042 1.00
S2 .38 .87 .042 1.00
S3 .123 .628 .042 1.00
S4 .379 .373 .042 1.00
S5 .124 .869 .458 1.00
S6 .375 .132 .458 1.00
S7 .126 .369 .458 1.00
S8 .376 .63 .458 1.00
S9 .128 .876 .125 1.00
S10 .371 .124 .125 1.16
S11 .129 .376 .125 1.16
S12 .373 .623 .125 1.16
S13 .128 .122 .375 1.16
S14 .374 .874 .375 1.16
S15 .128 .624 .375 1.16
S16 .372 .377 .375 1.16
S17 .126 .122 .208 .87
S18 .378 .876 .208 .87
S19 .123 .623 .208 .87
S20 .373 .38 .208 .87
S21 .126 .875 .292 .87
S22 .376 .124 .292 .87
S23 .126 .377 .292 .87
S24 .374 .625 .292 .87
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