data_1010873
_chemical_name_systematic          'Trihydrogen dodecatungstophosphate'
_chemical_formula_structural       'H3 P W12 O40'
_chemical_formula_sum              'H3 O40 P W12'
_publ_section_title
;
The Structure and Formula of 12-Phosphotungstic Acid
;
_publ_author_name                  'Keggin, J F'
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_coden_ASTM                PRLAAZ
_journal_volume                    144
_journal_year                      1934
_journal_page_first                75
_journal_page_last                 100
_cell_length_a                     12.141(5)
_cell_length_b                     12.141(5)
_cell_length_c                     12.141(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1789.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P n -3 m S'
_symmetry_Int_Tables_number        224
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,z,y'
  'y,z,x'
  'z,y,x'
  'z,x,y'
  'y,x,z'
  'x,-y,-z'
  'x,-z,-y'
  'y,-z,-x'
  'z,-y,-x'
  'z,-x,-y'
  'y,-x,-z'
  '-x,y,-z'
  '-x,z,-y'
  '-y,z,-x'
  '-z,y,-x'
  '-z,x,-y'
  '-y,x,-z'
  '-x,-y,z'
  '-x,-z,y'
  '-y,-z,x'
  '-z,-y,x'
  '-z,-x,y'
  '-y,-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2-z,1/2-y'
  '1/2-y,1/2-z,1/2-x'
  '1/2-z,1/2-y,1/2-x'
  '1/2-z,1/2-x,1/2-y'
  '1/2-y,1/2-x,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2-x,1/2+z,1/2+y'
  '1/2-y,1/2+z,1/2+x'
  '1/2-z,1/2+y,1/2+x'
  '1/2-z,1/2+x,1/2+y'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,1/2-z,1/2+y'
  '1/2+y,1/2-z,1/2+x'
  '1/2+z,1/2-y,1/2+x'
  '1/2+z,1/2-x,1/2+y'
  '1/2+y,1/2-x,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2+z,1/2-y'
  '1/2+y,1/2+z,1/2-x'
  '1/2+z,1/2+y,1/2-x'
  '1/2+z,1/2+x,1/2-y'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  P5+    5.000
  O2-   -2.000
  W6+    6.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  P1    P5+    2 a 0. 0. 0. 1.  0 d
  O1    O2-    8 e 0.99 0.99 0.99 1.  0 d
  O2    O2-   24 k 0.08 0.08 0.766 1.  0 d
  O3    O2-   24 k 0.123 0.123 0.292 1.  0 d
  O4    O2-   24 k 0.312 0.312 0.992 1.  0 d
  W1    W6+   24 k 0.205 0.205 0.006 1.  0 d
  H1    H1+    2 ? -1. -1. -1. 3.  0 dum