data_global
_chemical_name_mineral 'Natropharmacoalumite'
loop_
_publ_author_name
'Rumsey M S'
'Mills S J'
'Spratt J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 74 
_journal_year 2010
_journal_page_first 929
_journal_page_last 936
_publ_section_title
;
 Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite
 supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite
;
_database_code_amcsd 0017883
_chemical_compound_source 'Maria Josefa Gold mine, Rodalquilar, Andalusia region, Spain'
_chemical_formula_sum 'Na.57 K.222 As3 Al4 O19.104 H10.416'
_cell_length_a 7.7280
_cell_length_b 7.7280
_cell_length_c 7.7280
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 461.531
_exptl_crystal_density_diffrn      2.413
_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
Na   0.50000   0.05200   0.50000   0.09500   0.03100
K   0.50000   0.05200   0.50000   0.03700   0.03100
As1   0.50000   0.00000   0.00000   1.00000   0.01220
Al1   0.13910   0.13910   0.13910   1.00000   0.01140
O1   0.12660   0.12660   0.37580   1.00000   0.01480
O2   0.88580   0.88580   0.88580   1.00000   0.01300
Wat3   0.50000   0.12200   0.50000   0.48200   0.03000
O4   0.68500   0.68500   0.68500   0.05300   0.04700
H34   0.68500   0.68500   0.68500   0.15800   0.04700
H2   0.82590   0.82590   0.82590   1.00000   0.01600
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
As1 0.00960 0.01350 0.01350 0.00000 0.00000 0.00000
Al1 0.01140 0.01140 0.01140 0.00160 0.00160 0.00160
O1 0.01710 0.01710 0.01000 -0.00700 0.00150 0.00150
O2 0.01300 0.01300 0.01300 0.00200 0.00200 0.00200