Structure de K~8~Th(MoO~4~)~6~
Huyghe, M.; Lee, M.-R.; Jaulmes, S.; Quarton, M.; Acta Crystallographica Section C 49 (1993) 950–954; doi:10.1107/S0108270192012204

data_2001703
_publ_section_title
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 Structure de K~8~Th(MoO~4~)~6~
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_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              950
_journal_page_last               954
_journal_paper_doi               10.1107/S0108270192012204
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '8(K),Th,6(Mo O4)'
_chemical_formula_sum            'K8 Mo6 O24 Th'
_chemical_formula_weight         1504.44
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                75.87(3)
_cell_angle_beta                 96.81(2)
_cell_angle_gamma                118.440(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2550(10)
_cell_length_b                   10.260(2)
_cell_length_c                   14.466(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      15
_cell_volume                     1297.9(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6495
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        'aucune significative'
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    10.6
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Incolore
_exptl_crystal_density_diffrn    3.86
_exptl_crystal_density_meas      3.77
_exptl_crystal_description       Plaquette
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.97
_refine_ls_goodness_of_fit_obs   1.89
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5124
_refine_ls_R_factor_obs          0.068
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.064
_reflns_number_observed          5124
_reflns_number_total             6250
_reflns_observed_criterion       I>1\s(I)
_cod_data_source_file            du1012.cif
_cod_data_source_block           du1012_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s(F)' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/\s(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1298.0(10)
_cod_database_code               2001703