data_global
_chemical_name_mineral 'Kornelite'
loop_
_publ_author_name
'Robinson P D'
'Fang J H'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 535
_journal_page_last 539
_publ_section_title
;
 Crystal structures and mineral chemistry of hydrated ferric sulphates. III.
 The crystal structure of kornelite
;
_database_code_amcsd 0000322
_chemical_compound_source 'Tintic Standard mine, Dividend, Utah, USA'
_chemical_formula_sum 'Fe2 S3 O19.25 H14.5'
_cell_length_a 14.30
_cell_length_b 20.12
_cell_length_c 5.425
_cell_angle_alpha 90
_cell_angle_beta 96.8
_cell_angle_gamma 90
_cell_volume 1549.880
_exptl_crystal_density_diffrn      2.273
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.83030   0.10300   0.79700   1.00000   0.03673
Fe2   0.33300   0.11460   0.77240   1.00000   0.03546
S1   0.64830   0.03570   0.99310   1.00000   0.01520
S2   0.89890   0.24320   0.05780   1.00000   0.01646
S3   0.15440   0.04890   0.42800   1.00000   0.01646
O1   0.58840   0.05750   0.17000   1.00000   0.02913
O2   0.72860   0.08190   0.00300   1.00000   0.02913
O3   0.31130   0.03110   0.94100   1.00000   0.03420
O4   0.60000   0.03330   0.73800   1.00000   0.03040
O5   0.45470   0.23100   0.37500   1.00000   0.03166
O6   0.33640   0.20510   0.63200   1.00000   0.02786
O7   0.95770   0.21730   0.26900   1.00000   0.03546
O8   0.83330   0.19060   0.94700   1.00000   0.02660
O9   0.09530   0.04770   0.62800   1.00000   0.03673
O10   0.10430   0.07550   0.19800   1.00000   0.03040
O11   0.80930   0.01900   0.61000   1.00000   0.03293
O12   0.23810   0.09180   0.49600   1.00000   0.03166
Wat1   0.44230   0.13680   0.02500   1.00000   0.03040
Wat2   0.42770   0.07540   0.56500   1.00000   0.02406
Wat3   0.23570   0.15220   0.97200   1.00000   0.04053
Wat4   0.74290   0.14110   0.51900   1.00000   0.05573
Wat5   0.92160   0.05990   0.06000   1.00000   0.02913
Wat6   0.94390   0.12560   0.62900   1.00000   0.03040
Wat7   0.14700   0.25600   0.32900   0.50000   0.06586
Wat8   0.64400   0.24500   0.30000   0.75000   0.06839