K~5~InTe~4~.KCl
Sportouch, S.; Belin, C.; Tillard-Charbonnel, M.; Acta Crystallographica Section C 50 (1994) 1861–1862; doi:10.1107/S0108270194006141

data_2010275
_publ_section_title
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 K~5~InTe~4~.KCl
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1861
_journal_page_last               1862
_journal_paper_doi               10.1107/S0108270194006141
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Cl1 In1 K6 Te4'
_chemical_formula_sum            'Cl In K6 Te4'
_chemical_formula_weight         895.26
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_atom_type_scat_source           'Cromer & Mann (1968)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   11.288(7)
_cell_length_b                   11.288(7)
_cell_length_c                   8.013(2)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    298
_cell_measurement_theta_max      20.8
_cell_measurement_theta_min      6.8
_cell_volume                     884.2(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1935
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.504
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_type   'empirical (SHELX; Sheldrick, 1976)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    3.363
_exptl_crystal_description       'thin plate'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.58
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.912
_refine_ls_number_parameters     27
_refine_ls_number_reflns         437
_refine_ls_R_factor_obs          0.0181
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.7761[\s^2^(F) + 0.00066F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0227
_reflns_number_observed          1837
_reflns_number_total             437
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1081.cif
_cod_data_source_block           du1081a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1.7761[\s^2^(F) +
0.00066F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1.7761[\s^2^(F) + 0.00066F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Cl1 In1 K6 Te4'
_cod_database_code               2010275