Potassium silver tin selenide, K~2~Ag~2~Sn~2~Se~6~
Guo, Hongyou; Li, Zhenghe; Yang, Lin; Wang, Ping; Huang, Xiaoying; Li, Jing; Acta Crystallographica Section C 57 (2001) 1237–1238; doi:10.1107/S0108270101014299

data_2012331
_publ_section_title
;
 Potassium silver tin selenide, K~2~Ag~2~Sn~2~Se~6~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1237
_journal_page_last               1238
_journal_paper_doi               10.1107/S0108270101014299
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'K2 Ag2 Sn2 Se6'
_chemical_formula_moiety         'Ag2 K2 Se6 Sn2'
_chemical_formula_sum            'Ag2 K2 Se6 Sn2'
_chemical_formula_weight         1005.08
_chemical_name_systematic
;
  Potassium Silver Tin Selenide
;
_space_group_IT_number           124
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2c'
_symmetry_space_group_name_H-M   'P 4/m c c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1730(10)
_cell_length_b                   8.1730(10)
_cell_length_c                   20.278(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.71
_cell_measurement_theta_min      5.93
_cell_volume                     1354.5(4)
_computing_cell_refinement       'CAD-4/PC Software'
_computing_data_collection       'CAD-4/PC Software (Enraf-Nonius, 1992)'
_computing_data_reduction        'XCAD4/PC (Harms, 1997)'
_computing_molecular_graphics    'SCHAKAL97 (Keller, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .824
_diffrn_measured_fraction_theta_max .824
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0356
_diffrn_reflns_av_sigmaI/netI    .1036
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1946
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        +-1.6
_diffrn_standards_interval_count 300
_diffrn_standards_interval_time  250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    23.181
_exptl_absorpt_correction_T_max  .3903
_exptl_absorpt_correction_T_min  .2585
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(Kopfman & Huber, 1968)'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    4.929
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          .08
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .05
_refine_diff_density_max         1.682
_refine_diff_density_min         -1.606
_refine_ls_extinction_coef       .00190(4)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .993
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .993
_refine_ls_R_factor_all          .0880
_refine_ls_R_factor_gt           .0306
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0476
_reflns_number_gt                546
_reflns_number_total             1029
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            iz1017.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 4/mcc'
_cod_database_code               2012331
_cod_database_fobs_code          2012331