data_global
_chemical_name_mineral 'Johannite'
loop_
_publ_author_name
'Mereiter K'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 30 
_journal_year 1982
_journal_page_first 47
_journal_page_last 57
_publ_section_title
;
 Die kristallstruktur des johannits, Cu(UO2)2(OH)2(SO4)2*8H2O
;
_database_code_amcsd 0015685
_chemical_compound_source 'Joachimsthal, Czech Republic'
_chemical_formula_sum 'Cu U2 S2 O22 H18'
_cell_length_a 8.903
_cell_length_b 9.499
_cell_length_c 6.812
_cell_angle_alpha 109.87
_cell_angle_beta 112.01
_cell_angle_gamma 100.40
_cell_volume 469.944
_exptl_crystal_density_diffrn      3.441
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.50000   0.50000   0.50000 ?
U  -0.00614   0.21322   0.11483 ?
S   0.04118   0.38746   0.71781 ?
O1  -0.23660   0.14020  -0.02860   0.03065
O2   0.22470   0.28620   0.25680   0.02571
O-H3   0.00320  -0.00740   0.19370   0.02229
O4  -0.01720   0.26610   0.47440   0.02546
O5  -0.03410   0.51010   0.70250   0.02976
O6  -0.03370   0.30570   0.82890   0.02520
O7   0.22980   0.45420   0.85130   0.03838
Wat8   0.55980   0.38020   0.25970   0.03027
Wat9   0.56200   0.37330   0.67460   0.03445
Wat10   0.56870   0.12010   0.34380   0.04711
Wat11   0.24750   0.09170   0.66610   0.03724
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
Cu 0.02160 0.02480 0.02360 0.00630 0.00950 0.00980
U 0.01580 0.00880 0.01240 0.00400 0.00740 0.00460
S 0.02440 0.01190 0.01740 0.00640 0.01070 0.00600