data_global
_chemical_name_mineral 'Mereiterite'
loop_
_publ_author_name
'Giester G'
'Rieck B'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 559
_journal_page_last 566
_publ_section_title
;
 Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from
 the Lavrion Mining District, Greece
;
_database_code_amcsd 0006597
_chemical_compound_source 'Lavrion Mining District, Greece'
_chemical_formula_sum 'K2 Fe S2 O12 H8'
_cell_length_a 11.841
_cell_length_b 9.553
_cell_length_c 9.942
_cell_angle_alpha 90
_cell_angle_beta 94.87
_cell_angle_gamma 90
_cell_volume 1120.550
_exptl_crystal_density_diffrn      2.361
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
K   0.16894   0.26347   0.24911   1.00000   0.02910
Fe1   0.00000   0.00000   0.00000   1.00000   0.01600
Fe2   0.00000   0.50000   0.50000   1.00000   0.01470
S1   0.20735   0.50000  -0.04455   1.00000   0.01610
S2   0.21280   0.00000  -0.48143   1.00000   0.01560
O1   0.15680   0.37390  -0.11170   1.00000   0.02920
O2a   0.15280   0.09620  -0.40150   0.50000   0.02710
O2b   0.17590   0.14760  -0.45440   0.50000   0.03070
O3   0.17160   0.00000   0.06570   1.00000   0.03840
O4   0.18820   0.50000   0.09720   1.00000   0.03560
O5   0.16450   0.50000   0.43730   1.00000   0.02420
O6   0.19290   0.02420   0.37440   0.50000   0.02940
OW1   0.03990   0.33730  -0.35550   1.00000   0.02290
Ow2   0.00000   0.22040   0.00000   1.00000   0.03410
OW3   0.01330   0.00000  -0.21440   1.00000   0.03470
H1   0.07200   0.27600  -0.38700   1.00000   0.05400
H2   0.07800   0.35000  -0.27800   1.00000   0.05400
H3   0.04600   0.26600  -0.02800   1.00000   0.04230
H4   0.06900   0.00000  -0.25600   1.00000   0.06120
H5  -0.03400   0.00000  -0.26500   1.00000   0.06120
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.02950 0.02230 0.03550 -0.00630 0.00120 0.00110
Fe1 0.01580 0.01200 0.01990 0.00000 -0.00020 0.00000
Fe2 0.01580 0.01100 0.01740 0.00000 0.00200 0.00000
S1 0.01830 0.01350 0.01640 0.00000 0.00180 0.00000
S2 0.01670 0.01320 0.01690 0.00000 0.00120 0.00000
O1 0.04010 0.01930 0.02860 -0.00470 0.00440 -0.00930
O2a 0.02480 0.02460 0.03260 -0.00580 0.00650 0.00820
O2b 0.03720 0.01690 0.03810 -0.00490 0.00330 0.01010
O3 0.01680 0.05810 0.03950 0.00000 -0.00180 0.00000
O4 0.06140 0.02770 0.01910 0.00000 0.01240 0.00000
O5 0.01660 0.03130 0.02480 0.00000 0.00250 0.00000
O6 0.03590 0.03230 0.01900 0.00530 -0.00390 -0.00270
OW1 0.02800 0.01660 0.02380 0.00230 0.00050 0.00510
Ow2 0.03570 0.01380 0.05580 0.00000 0.02130 0.00000
OW3 0.02870 0.05340 0.02290 0.00000 0.00690 0.00000