Insertion-release of guest species and ionic conduction in polyoxometalate solids with a layer-like Anderson structure
Naruke, Haruo; Kajitani, Naoyuki; Konya, Takayuki; Journal of Solid State Chemistry 184 (2011) 770–777; doi:10.1016/j.jssc.2011.01.033

data_1563283
_publ_section_title
;
 Insertion-release of guest species and ionic conduction in
 polyoxometalate solids with a layer-like Anderson structure
;
_journal_issue                   4
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              770
_journal_page_last               777
_journal_paper_doi               10.1016/j.jssc.2011.01.033
_journal_volume                  184
_journal_year                    2011
_chemical_formula_moiety         'Cl0.25 H24 K5.25 Na2 O36 Sb W6 '
_chemical_formula_sum            'Cl0.25 H24 K5.25 Na2 O36 Sb W6'
_chemical_formula_weight         2085.13
_chemical_name_systematic
;
(5.25)potassium disodium hexa-mu3-oxo-hexa-mu-oxo-dodecaoxo(hexamolybdenum-7-
antimony)ate(7-) (0.25)chloride(1-) dodecahydrate
;
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            3
_cell_length_a                   13.288(8)
_cell_length_b                   13.288(8)
_cell_length_c                   18.548(13)
_cell_measurement_reflns_used    11824
_cell_measurement_temperature    298
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      3.1
_cell_volume                     2836(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    DirectMethod
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 1.085
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9184
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    19.625
_exptl_absorpt_correction_T_max  0.053
_exptl_absorpt_correction_T_min  0.018
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             2799.00
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.32
_refine_diff_density_min         -2.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     51
_refine_ls_number_reflns         817
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0027Fo^2^ + 0.6000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1334
_reflns_number_gt                729
_reflns_number_total             817
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            JSSC-2011-184-770.cif
_cod_data_source_block           naksbw6cl
_cod_original_sg_symbol_H-M      'R -3 m:H'
_cod_original_formula_sum        'Cl0.25 H24 K5.25 Na2 O36 Sb W6 '
_cod_database_code               1563283