data_global
_chemical_name_mineral 'Deliensite'
loop_
_publ_author_name
'Plasil J'
'Hauser J'
'Petricek V'
'Meisser N'
'Mills S J'
'Skoda R'
'Fejfarova K'
'Cejka J'
'Sejkora J'
'Hlousek J'
'Johannet J M'
'Machovic V'
'Lapcak L'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 2837
_journal_page_last 2860
_publ_section_title
;
 Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7
;
_database_code_amcsd 0019801
_chemical_compound_source 'Jeronym mine, Abertamy, Czech Republic'
_chemical_formula_sum 'Fe.58 Mg.27 Zn.16 U2 S2 O21 H16'
_cell_length_a 15.8514
_cell_length_b 16.2478
_cell_length_c 6.8943
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1775.630
_exptl_crystal_density_diffrn      3.523
_symmetry_space_group_name_H-M 'P n n 2'
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
Fe   0.03130   0.30990   0.00000   0.58000   0.01580
Mg   0.03130   0.30990   0.00000   0.27000   0.01580
Zn   0.03130   0.30990   0.00000   0.16000   0.01580
U1   0.28494   0.29041   0.01255   1.00000   0.01120
U2   0.29072   0.05284   0.01029   1.00000   0.01390
S1   0.23580   0.33300   0.50649   1.00000   0.01160
S2   0.24440   0.00860   0.51334   1.00000   0.01450
O1   0.17840   0.30120   0.00789   1.00000   0.01200
O2   0.18480   0.03630   0.01462   1.00000   0.02100
O3   0.40230   0.06400   0.00972   1.00000   0.02100
O4   0.18350   0.25680   0.50583   1.00000   0.01000
O5   0.17910   0.40280   0.48903   1.00000   0.01500
O6   0.30050   0.33800   0.34101   1.00000   0.01900
O7   0.20810   0.50220   0.18478   1.00000   0.00800
O8   0.31080   0.01030   0.34383   1.00000   0.00800
O9   0.20090   0.08830   0.50838   1.00000   0.00800
O10   0.30950   0.43090   0.00030   1.00000   0.00800
O11   0.38870   0.28090   0.00812   1.00000   0.01200
O-H12   0.28660   0.17400   0.20460   1.00000   0.00700
O-H13   0.23390   0.67300   0.32240   1.00000   0.00700
O14   0.28430   0.33600   0.68480   1.00000   0.00200
Wat15   0.40010   0.17730   0.51124   1.00000   0.02400
Wat16   0.54170   0.07020   0.38544   1.00000   0.04500
Wat17   0.53780   0.23660   0.23119   1.00000   0.03600
Wat18   0.02820   0.18520   0.10716   1.00000   0.04600
Wat19   0.03580   0.35460   0.29215   1.00000   0.03300
Wat20   0.46500   0.42000   0.33372   1.00000   0.05200
Wat21   0.02400   0.08700   0.41914   1.00000   0.07500
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
Fe 0.01900 0.02100 0.00700 -0.00200 -0.00200 0.00600
Mg 0.01900 0.02100 0.00700 -0.00200 -0.00200 0.00600
Zn 0.01900 0.02100 0.00700 -0.00200 -0.00200 0.00600
U1 0.02020 0.00830 0.00520 -0.00100 -0.00600 -0.00400
U2 0.02780 0.00760 0.00640 0.00020 0.00300 -0.00300