Synthetic Dipotassium Zinc Disilicate
Hogrefe, A. R.; Czank, M.; Acta Crystallographica Section C 51 (1995) 1728–1730; doi:10.1107/S0108270195003052

data_2003884
_publ_section_title
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 Synthetic Dipotassium Zinc Disilicate
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1728
_journal_page_last               1730
_journal_paper_doi               10.1107/S0108270195003052
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'K4 O12 Si4 Zn2'
_chemical_formula_weight         591.6
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.2983(3)
_cell_length_b                   9.5537(9)
_cell_length_c                   10.4499(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.83
_cell_measurement_theta_min      3.9
_cell_volume                     628.79(8)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7149
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.64
_exptl_absorpt_correction_T_max  0.25
_exptl_absorpt_correction_T_min  0.19
_exptl_absorpt_correction_type   'empirical (DIFABS: Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.12
_exptl_crystal_description       brick
_exptl_crystal_size_max          0.208
_exptl_crystal_size_mid          0.128
_exptl_crystal_size_min          0.106
_refine_diff_density_max         2.01
_refine_diff_density_min         -2.08
_refine_ls_extinction_coef       0.00058
_refine_ls_extinction_method     'SHELX76 (Sheldrick, 1976)'
_refine_ls_goodness_of_fit_obs   6.016
_refine_ls_hydrogen_treatment    'No H atoms'
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1890
_refine_ls_R_factor_obs          0.0541
_refine_ls_shift/esd_max         <0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 3.339/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0365
_reflns_number_observed          1890
_reflns_number_total             1900
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            du1113.cif
_cod_data_source_block           du1113a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 3.339/\s^2^(F)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 3.339/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        628.79(7)
_cod_original_formula_sum        'K4 Zn2 Si4 O12'
_cod_database_code               2003884