data_global
_chemical_name_mineral 'Zeunerite'
loop_
_publ_author_name
'Hennig C'
'Reck G'
'Reich T'
'Robberg A'
'Kraus W'
'Sieler J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 218 
_journal_year 2003
_journal_page_first 37
_journal_page_last 45
_publ_section_title
;
 EXAFS and XRD investigations of zeunerite and meta-zeunerite
;
_database_code_amcsd 0011096
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu U2 As2 O24 H24'
_cell_length_a 7.1751
_cell_length_b 7.1751
_cell_length_c 20.8728
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1074.575
_exptl_crystal_density_diffrn      3.392
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Cu1   0.00000   0.00000   0.50000   0.85000   0.01500
Cu2   0.00000   0.00000   0.12100   0.07500   0.01500
U   0.00000   0.00000   0.29480   1.00000   0.01300
As   0.00000   0.50000   0.25000   1.00000   0.01700
O1   0.00000   0.00000   0.38250   1.00000   0.02900
O2   0.00000   0.00000   0.20990   1.00000   0.02600
O3   0.04070   0.31850   0.29830   0.50000   0.02500
Wat1   0.98400   0.73090   0.50000   0.50000   0.03500
Wat2   0.23540   0.58370   0.58680   0.50000   0.03200