Structural, optical, and magnetic properties of Na8Eu2(Si2S6)2 and Na8Eu2(Ge2S6)2: Europium(II) quaternary chalcogenides that contain an ethane-like (Si2S6)6− or (Ge2S6)6− moiety
Choudhury, Amitava; Ghosh, Kartik; Grandjean, Fernande; Long, Gary J.; Dorhout, Peter K.; Journal of Solid State Chemistry 226 (2015) 74–80; doi:10.1016/j.jssc.2015.02.006

data_1561964
_publ_section_title
;
 Structural, optical, and magnetic properties of Na8Eu2(Si2S6)2 and
 Na8Eu2(Ge2S6)2: Europium(II) quaternary chalcogenides that contain an
 ethane-like (Si2S6)6&#x2212; or (Ge2S6)6&#x2212; moiety
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_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              74
_journal_page_last               80
_journal_paper_doi               10.1016/j.jssc.2015.02.006
_journal_volume                  226
_journal_year                    2015
_chemical_formula_moiety         'Eu2 Na2 S12 Si4, 6(Na)'
_chemical_formula_sum            'Eu2 Na8 S12 Si4'
_chemical_formula_weight         984.92
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.271(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   6.7784(14)
_cell_length_b                   11.680(2)
_cell_length_c                   7.6622(16)
_cell_measurement_reflns_used    1556
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.78
_cell_volume                     579.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3413
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    6.793
_exptl_absorpt_correction_T_max  0.8761
_exptl_absorpt_correction_T_min  0.6125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brokenplate
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.078
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.392
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.392
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+11.0334P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                696
_reflns_number_total             755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-226-74.cif
_cod_data_source_block           Eu2Na8S12Si4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               1561964