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#$Date: 2015-10-05 12:15:48 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533529.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533529
loop_
_publ_author_name
'Silviani, E.'
'Burns, R.C.'
_publ_section_title
;
 Synthesis and characterization of soluble alkali metal, alkaline earth
 metal and related Keggin-type (P Mo12 O40)(3-) salts for heterogeneous
 catalysis reactions
;
_journal_name_full               'Journal of Molecular Catalysis'
_journal_page_first              327
_journal_page_last               342
_journal_volume                  219
_journal_year                    2003
_chemical_formula_sum            'Mo24 O113.6 P2'
_chemical_name_systematic        'Ba3 (P Mo12 O40)2 (D2 O)55.3'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.941
_cell_length_b                   22.941
_cell_length_c                   22.941
_cell_volume                     12073.607
_citation_journal_id_ASTM        JMCCF2
_cod_data_source_file            Silviani_JMCCF2_2003_1586.cif
_cod_data_source_block           Mo24O113.6P2
_cod_original_cell_volume        12073.61
_cod_database_code               1533529
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O5 O-2 0.377 0.125 0.125 1 0.0
O6 O-2 0.351 0.238 0.218 0.25 0.0
O3 O-2 0.0613 0.0613 0.2735 1 0.0
P1 P+5 0.125 0.125 0.125 1 0.0
O7 O-2 0.619 0.277 0.21 0.2 0.0
Mo1 Mo+6 0.0155 0.0155 0.1269 1 0.0
O1 O-2 0.1615 0.1615 0.1615 1 0.0
O4 O-2 0.2846 0.2846 0.116 1 0.0
O2 O-2 0.1731 0.1731 -0.0042 1 0.0
