Bornite Ding Y, Veblen D R, Prewitt C T American Mineralogist 90 (2005) 1256-1264 High-resolution transmission electron microscopy (HRTEM) study of the 4a and 6a superstructure of bornite Cu5FeS4 Sample: 4a-1 superstructure model Note: Occupancies calculated assuming complete Cu-Fe disorder _database_code_amcsd 0003821 21.88 21.88 21.88 90 90 90 Fm-3m atom x y z occ Biso Cu .0625 .0625 .0625 .8333 2.5 Fe .0625 .0625 .0625 .1667 2.5 Cu .1875 .1875 .0625 .7818 2.5 Fe .1875 .1875 .0625 .1564 2.5 Cu .3125 .1875 .0625 .6568 2.5 Fe .3125 .1875 .0625 .1314 2.5 Cu .1875 .0625 .0625 .6813 2.5 Fe .1875 .0625 .0625 .1363 2.5 Cu .3125 .0625 .0625 .6300 2.5 Fe .3125 .0625 .0625 .1260 2.5 Cu .4375 .0625 .0625 .6053 2.5 Fe .4375 .0625 .0625 .1211 2.5 Cu .3125 .1875 .1875 .7542 2.5 Fe .3125 .1875 .1875 .1509 2.5 Cu .1875 .1875 .1875 .5572 2.5 Fe .1875 .1875 .1875 .1114 2.5 S 0 0 0 1.0 S .25 0 0 1.0 S .25 .25 0 1.0 S .125 .125 0 1.0 S .25 .25 .25 1.0 S .125 .25 .125 1.0 S .5 0 0 1.0 S .3750 .125 0 1.0