data_global _amcsd_formula_title 'Cs5 H6 O35 Re W9' loop_ _publ_author_name 'Ortega F' 'Pope M' 'Evans H' _journal_name_full 'Inorganic Chemistry' _journal_volume 36 _journal_year 1997 _journal_page_first 2166 _journal_page_last 2169 _publ_section_title ; Tungstorhenate heteropolyanions.2.Synthesis and characterization of enneatungstorhenates (V), -(VI), and -(VII) _cod_database_code 1008825 ; _database_code_amcsd 0016694 _chemical_formula_sum '(W4.5 Re.5) O17.5 Cs2.5' _cell_length_a 10.194 _cell_length_b 11.503 _cell_length_c 9.682 _cell_angle_alpha 100.55 _cell_angle_beta 115.81 _cell_angle_gamma 99.13 _cell_volume 967.654 _exptl_crystal_density_diffrn 5.260 _symmetry_space_group_name_H-M 'P -1' 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_ _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 W1 0.01870 0.01110 0.01940 0.00080 0.00610 0.00190 Re1 0.01870 0.01110 0.01940 0.00080 0.00610 0.00190 W2 0.01940 0.01440 0.01810 0.00410 0.00480 0.00380 Re2 0.01940 0.01440 0.01810 0.00410 0.00480 0.00380 W3 0.02150 0.01630 0.01720 0.00490 0.00980 0.00280 Re3 0.02150 0.01630 0.01720 0.00490 0.00980 0.00280 W4 0.01820 0.01410 0.01740 0.00370 0.00680 0.00440 Re4 0.01820 0.01410 0.01740 0.00370 0.00680 0.00440 W5 0.02270 0.01680 0.01740 0.00240 0.01110 0.00380 Re5 0.02270 0.01680 0.01740 0.00240 0.01110 0.00380 Cs1 0.00620 0.00250 0.00460 0.00160 0.00190 0.00130 Cs2 0.00300 0.00300 0.00300 0.00060 0.00140 0.00070 Cs3 0.00570 0.00570 0.01090 -0.00010 0.00280 -0.00370