Europium thiosilicate at 100K
Johrendt, Dirk; Pocha, Regina; Acta Crystallographica Section E 57 (2001) i57–i59; doi:10.1107/S1600536801010376

data_2200377
_publ_section_title
;
 Europium thiosilicate at 100K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i57
_journal_page_last               i59
_journal_paper_doi               10.1107/S1600536801010376
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Eu2 Si S4'
_chemical_formula_structural     'Eu2 Si S4'
_chemical_formula_sum            'Eu2 S4 Si'
_chemical_formula_weight         460.25
_chemical_name_systematic
;
Europiumtetrathiosilicate(IV)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.5240(10)
_cell_length_b                   6.5910(10)
_cell_length_c                   8.205(2)
_cell_measurement_reflns_used    3437
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     334.99(12)
_computing_cell_refinement       'IPDS Software'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_reduction        'IPDS Software'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 50
_diffrn_measured_fraction_theta_full .967
_diffrn_measured_fraction_theta_max .967
_diffrn_measurement_device_type  'Stoe IPDS'
_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  .1062
_diffrn_reflns_av_sigmaI/netI    .0455
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5587
_diffrn_reflns_theta_full        30.35
_diffrn_reflns_theta_max         30.35
_diffrn_reflns_theta_min         2.61
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    19.844
_exptl_absorpt_correction_T_max  .1428
_exptl_absorpt_correction_T_min  .0749
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 1998)'
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    4.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             408
_exptl_crystal_size_max          .09
_exptl_crystal_size_mid          .08
_exptl_crystal_size_min          .07
_refine_diff_density_max         1.824
_refine_diff_density_min         -1.549
_refine_ls_extinction_coef       .0051(7)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         1062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          .0529
_refine_ls_R_factor_gt           .0445
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0350P)^2^+1.9742P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0715
_reflns_number_gt                890
_reflns_number_total             1062
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6024.cif
_cod_data_source_block           I
_cod_original_cell_volume        334.99(11)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2200377
_cod_database_fobs_code          2200377