data_global
_chemical_name_mineral 'Natropharmacosiderite'
loop_
_publ_author_name
'Hager S L'
'Leverett P'
'Williams P A'
'Mills S J'
'Hibbs D E'
'Raudsepp M'
'Kampf A R'
'Birch W D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 48 
_journal_year 2010
_journal_page_first 1477
_journal_page_last 1485
_publ_section_title
;
 The single-crystal X-ray structures of bariopharmacosiderite-C,
 bariopharmacosiderite-Q and natropharmacosiderite
;
_database_code_amcsd 0020843
_chemical_compound_source 'Gold Hill mine, Utah, USA'
_chemical_formula_sum 'Na.75 K.138 Ba.108 Fe4 As3 O19.98 H11.96'
_cell_length_a 7.928
_cell_length_b 7.928
_cell_length_c 7.928
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 498.300
_exptl_crystal_density_diffrn      2.724
_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
NaNa   0.05000   0.50000   0.50000   0.12500   0.02300
KNa   0.05000   0.50000   0.50000   0.02300   0.02300
BaNa   0.05000   0.50000   0.50000   0.01800   0.02300
Fe   0.14290   0.14290   0.14290   1.00000   0.02290
As   0.50000   0.00000   0.00000   1.00000   0.02010
O1   0.12610   0.12610   0.38260   1.00000   0.02600
O-h2   0.88610   0.88610   0.88610   1.00000   0.01800
H   0.82830   0.82830   0.82830   1.00000   0.02100
Wat3   0.69200   0.69200   0.69200   0.50000   0.04100
Wat4   0.13000   0.50000   0.50000   0.33000   0.03700
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 0.02290 0.02290 0.02290 -0.00010 -0.00010 -0.00010
As 0.01630 0.02200 0.02200 0.00000 0.00000 0.00000
O1 0.02900 0.02900 0.01900 -0.01000 0.00200 0.00200
O-h2 0.01800 0.01800 0.01800 0.00100 0.00100 0.00100