Schwertmannite
Fernandez-Martinez A, Timon V, Roman-Ross G, Cuello G J, Daniels J E, Ayora C
American Mineralogist 95 (2010) 1312-1322
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate
Note: Model 1, positions of sulfate groups not determined
Locality: Monte Romero mine (Iberian Pyrite Belt), Spain
_database_code_amcsd 0018670
10.821 6.002 10.514 90.0 92.6 90.0 P1
atom    x   y    z Uiso
Fe   .345   0 .152 .002
Fe   .140   0 .645 .002
O    .288   0 .322 .009
O    .043   0 .336 .009
O    .335   0 .690 .009
O    .325   0 .946 .009
Fe   .857 .25 .611 .002
Fe   .700 .25 .093 .002
O    .787 .25 .796 .009
O    .540 .25 .810 .009
O    .861 .25 .159 .009
O    .824 .25 .419 .009
Fe   .669   0 .811 .002
Fe   .866   0 .320 .002
O    .711   0 .626 .009
O    .956   0 .612 .009
O    .664   0 .260 .009
O    .674   0 .002 .009
Fe   .151 .25 .352 .002
Fe   .344 .25 .840 .002
O    .211 .25 .152 .009
O    .456 .25 .138 .009
O    .165 .25 .786 .009
O    .175 .25 .527 .009
Fe   .337  .5 .142 .002
Fe   .144  .5 .648 .002
O    .288  .5 .322 .009
O    .043  .5 .336 .009
O    .335  .5 .690 .009
O    .325  .5 .946 .009
Fe   .846 .75 .606 .002
Fe   .696 .75 .095 .002
O    .787 .75 .796 .009
O    .542 .75 .810 .009
O    .857 .75 .157 .009
O    .824 .75 .419 .009
Fe   .666  .5 .804 .002
Fe   .865  .5 .322 .002
O    .711  .5 .626 .009
O    .956  .5 .612 .009
O    .664  .5 .260 .009
O    .674  .5 .002 .009
Fe   .153 .75 .338 .002
Fe   .363 .75 .835 .002
O    .211 .75 .150 .009
O    .456 .75 .138 .009
O    .165 .75 .786 .009
O    .175 .75 .528 .009