#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016537.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016537
loop_
_publ_author_name
'Keggin, J.'
_publ_section_title
;
 The Structure and Formula of 12-Phosphotungstic Acid
 _cod_database_code 1010873
;
_journal_name_full               'Proceedings of the Royal Society of London'
_journal_page_first              75
_journal_page_last               100
_journal_volume                  144
_journal_year                    1934
_chemical_formula_sum            'O40 P W12'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.141
_cell_length_b                   12.141
_cell_length_c                   12.141
_cell_formula_units_Z            2
_cell_volume                     1789.631
_database_code_amcsd             0017544
_exptl_crystal_density_diffrn    5.339
_cod_duplicate_entry             1010873
_cod_original_cell_volume        1789.630
_cod_original_sg_symbol_H-M      'P n 3 m'
_cod_original_formula_sum        'P O40 W12'
_cod_database_code               9016537
_amcsd_formula_title             'H3 O40 P W12'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,1/2-x,1/2+y
-y,z,-x
1/2+x,1/2-y,1/2+z
-z,x,-y
1/2+y,1/2-z,1/2+x
-x,y,-z
x,-z,-y
1/2-z,1/2+y,1/2+x
y,-x,-z
1/2-x,1/2+z,1/2+y
z,-y,-x
1/2-y,1/2+x,1/2+z
x,z,y
1/2-z,1/2-y,1/2-x
y,x,z
1/2-x,1/2-z,1/2-y
z,y,x
1/2-y,1/2-x,1/2-z
1/2+z,1/2+x,1/2-y
-y,-z,x
1/2+x,1/2+y,1/2-z
-z,-x,y
1/2+y,1/2+z,1/2-x
-x,-y,z
1/2-z,1/2+x,1/2+y
y,-z,-x
1/2-x,1/2+y,1/2+z
z,-x,-y
1/2-y,1/2+z,1/2+x
x,-y,-z
-x,z,-y
1/2+z,1/2-y,1/2+x
-y,x,-z
1/2+x,1/2-z,1/2+y
-z,y,-x
1/2+y,1/2-x,1/2+z
-x,-z,y
1/2+z,1/2+y,1/2-x
-y,-x,z
1/2+x,1/2+z,1/2-y
-z,-y,x
1/2+y,1/2+x,1/2-z
1/2-z,1/2-x,1/2-y
y,z,x
1/2-x,1/2-y,1/2-z
z,x,y
1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1 0.00000 0.00000 0.00000
O1 0.99000 0.99000 0.99000
O2 0.08000 0.08000 0.76600
O3 0.12300 0.12300 0.29200
O4 0.31200 0.31200 0.99200
W1 0.20500 0.20500 0.00600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017544
