#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015994.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_9015994
loop_
_publ_author_name
'Ortega, F.'
'Pope, M.'
'Evans, H.'
_publ_section_title
;
 Tungstorhenate heteropolyanions.2.Synthesis and characterization of
 enneatungstorhenates (V), -(VI), and -(VII)
 _cod_database_code 1008825
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2166
_journal_page_last               2169
_journal_paper_doi               10.1021/ic961142q
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'Cs2.5 O17.5 Re0.5 W4.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.55
_cell_angle_beta                 115.81
_cell_angle_gamma                99.13
_cell_length_a                   10.194
_cell_length_b                   11.503
_cell_length_c                   9.682
_cell_formula_units_Z            2
_cell_volume                     967.654
_database_code_amcsd             0016694
_exptl_crystal_density_diffrn    5.260
_cod_duplicate_entry             1008825
_cod_original_formula_sum        '(W4.5 Re.5) O17.5 Cs2.5'
_cod_database_code               9015994
_amcsd_formula_title             'Cs5 H6 O35 Re W9'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
W1 0.87150 0.81820 0.74210 0.90000
Re1 0.87150 0.81820 0.74210 0.10000
W2 0.50860 0.76020 0.48800 0.90000
Re2 0.50860 0.76020 0.48800 0.10000
W3 0.61280 0.68190 0.82190 0.90000
Re3 0.61280 0.68190 0.82190 0.10000
W4 0.81900 0.52630 0.72650 0.90000
Re4 0.81900 0.52630 0.72650 0.10000
W5 0.71510 0.60510 0.39240 0.90000
Re5 0.71510 0.60510 0.39240 0.10000
O1 0.01500 0.94000 0.82800 1.00000
O2 0.41000 0.85600 0.40500 1.00000
O3 0.59800 0.73100 0.99500 1.00000
O4 0.95200 0.45700 0.82700 1.00000
O5 0.76800 0.59200 0.24600 1.00000
O6 0.71400 0.88100 0.62400 1.00000
O7 0.79700 0.81800 0.89200 1.00000
O8 0.96200 0.69300 0.81500 1.00000
O9 0.87500 0.75700 0.54700 1.00000
O10 0.50400 0.76500 0.68100 1.00000
O11 0.74800 0.57800 0.88000 1.00000
O12 0.83000 0.52000 0.53300 1.00000
O13 0.58000 0.70700 0.34000 1.00000
O14 0.45400 0.54000 0.71800 1.00000
O15 0.65000 0.38900 0.61800 1.00000
O16 0.67000 0.64400 0.61100 1.00000
Cs1 0.98280 0.19520 0.76430 1.00000
Cs2 0.28310 0.65070 0.99090 1.00000
Cs3 0.37820 0.98260 0.80400 0.50000
O17 0.82700 0.28000 0.36400 0.75000
O18 0.70800 0.07000 0.88300 0.75000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016694
