Hercynite
Andreozzi G B, Lucchesi S
American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He7a/b
Note: Coordinates of oxygen changed in order to match the bond lengths.
_database_code_amcsd 0002879
8.1306 8.1306 8.1306 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al       .5     .5     .5 .886  .0056  .0056  .0056  .0000  .0000  .0000
Mg       .5     .5     .5 .076  .0056  .0056  .0056  .0000  .0000  .0000
Fe       .5     .5     .5 .038  .0056  .0056  .0056  .0000  .0000  .0000
Mg     .125   .125   .125 .267  .0076  .0076  .0076      0      0      0
Al     .125   .125   .125 .192  .0076  .0076  .0076      0      0      0
Fe     .125   .125   .125 .541  .0076  .0076  .0076      0      0      0
O    .26326 .26326 .26326       .0099  .0099  .0099  .0000  .0000  .0000