Structure of K~2~Co~2~(SeO~3~)~3~
Wildner, M.; Acta Crystallographica Section C 50 (1994) 336–338; doi:10.1107/S0108270193008479

data_2009564
_publ_section_title
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 Structure of K~2~Co~2~(SeO~3~)~3~
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              336
_journal_page_last               338
_journal_paper_doi               10.1107/S0108270193008479
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Co2 K2 O9 Se3'
_chemical_formula_sum            'Co2 K2 O9 Se3'
_chemical_formula_weight         576.94
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   5.4860(10)
_cell_length_b                   5.4860(10)
_cell_length_c                   17.574(3)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    295
_cell_measurement_theta_max      22
_cell_measurement_theta_min      15
_cell_volume                     458.05(14)
_diffrn_measurement_device       'Stoe AED2 four-circle'
_diffrn_measurement_method       2\q-\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            4366
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        +-0.6
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    16.01
_exptl_absorpt_correction_T_max  0.113
_exptl_absorpt_correction_T_min  0.054
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    4.183
_exptl_crystal_description       'forms {0001},{0-1-12}'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.72
_refine_diff_density_min         -1.09
_refine_ls_extinction_coef       6.8E-5(3)
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_obs   4.12
_refine_ls_number_parameters     24
_refine_ls_number_reflns         394
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s(F~o~)]^-2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          394
_reflns_number_total             434
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            sh1067.cif
_cod_data_source_block           sh1067_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s(F~o~)]^-2^' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = [\s(F~o~)]^-2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        458.1(3)
_cod_database_code               2009564