data_global
_amcsd_formula_title 'Ni0.75K0.5SU2O13H6'
loop_
_publ_author_name
'Peeters O M'
'Vochten R'
'Blaton N'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 46 
_journal_year 2008
_journal_page_first 173
_journal_page_last 182
_publ_section_title
;
 The crystal structures of synthetic potassium - transition-metal zippeite-group phases
 Sample: K-Ni
;
_database_code_amcsd 0006165
_chemical_formula_sum 'K.598 Ni1.083 U4 S2 O26.08 H12.16'
_cell_length_a 8.662
_cell_length_b 14.095
_cell_length_c 17.770
_cell_angle_alpha 90
_cell_angle_beta 104.18
_cell_angle_gamma 90
_cell_volume 2103.451
_exptl_crystal_density_diffrn      4.840
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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   0.19160   0.25000   0.40070   0.29900  89.00000
Ni1   0.93820   0.24910   0.36853   0.44200   0.03050
Ni2   0.50000   0.25030   0.25000   0.19900   0.02850
U1   0.41719   0.01812   0.33493   1.00000   0.01370
U2   0.91652  -0.01847   0.33490   1.00000   0.01480
S   0.75090   0.00185   0.50000   1.00000   0.01790
O1   0.41690   0.14320   0.31440   1.00000   0.03100
O1*   0.42500  -0.10800   0.35870   1.00000   0.01760
O2   0.93800   0.10500   0.36810   1.00000   0.02600
O2*   0.90400  -0.14820   0.31820   1.00000   0.01410
O3   0.64150  -0.01280   0.29190   1.00000   0.01490
O4   0.15370  -0.00860   0.29780   1.00000   0.01700
O5   0.80750  -0.06690   0.44680   1.00000   0.01960
O6   0.66800  -0.05630   0.54660   1.00000   0.01950
O7   0.62570   0.05300   0.44930   1.00000   0.01880
O8   0.86930   0.07200   0.54920   1.00000   0.01070
Wat9   0.70290   0.25100   0.33530   1.00000   0.02470
Wat10   0.19060   0.24900   0.44430   0.77000   0.02700
Wat11   0.95400   0.24900   0.49910   1.00000   0.08100
Wat12   0.00000   0.24600   0.25000   0.54000   0.12600