data_global
_chemical_name_mineral 'Hydroniumpharmacosiderite'
loop_
_publ_author_name
'Mills S J'
'Hager S L'
'Leverett P'
'Williams P A'
'Raudsepp M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 74 
_journal_year 2010
_journal_page_first 487
_journal_page_last 492
_publ_section_title
;
 The structure of H3O+ - exchanged pharmacosiderite
;
_database_code_amcsd 0014603
_chemical_compound_source 'Gold Hill mine, Gold Hill, Tooele County, Utah, USA'
_chemical_formula_sum 'Fe4 As3 O21.5'
_cell_length_a 7.982
_cell_length_b 7.982
_cell_length_c 7.982
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 508.552
_exptl_crystal_density_diffrn      2.587
_symmetry_space_group_name_H-M 'P -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  'x,-z,-y'
  'z,-y,-x'
  'y,-x,-z'
  'x,z,y'
  'z,y,x'
  'y,x,z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '-x,z,-y'
  '-z,y,-x'
  '-y,x,-z'
  '-x,-z,y'
  '-z,-y,x'
  '-y,-x,z'
  'z,x,y'
  'y,z,x'
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   0.14330   0.14330   0.14330   1.00000   0.00970
As   0.50000   0.00000   0.00000   1.00000   0.01230
O1   0.12390   0.12390   0.38420   1.00000   0.01900
O2   0.88670   0.88670   0.88670   1.00000   0.00500
O3   0.50000   0.05000   0.50000   0.50000   0.04800
O4   0.69130   0.69130   0.69130   0.50000   0.02800
O5   0.50000   0.50000   0.50000   0.50000   0.03500
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 0.00990 0.00990 0.00990 -0.00040 -0.00040 -0.00040
As 0.00650 0.01530 0.01530 0.00000 0.00000 0.00000
O1 0.02200 0.02200 0.01500 -0.00700 0.00100 0.00100
O2 0.00500 0.00500 0.00500 -0.00200 -0.00200 -0.00200