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_1561965
_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 Ge4 Na2 S12, 6(Na)'
_chemical_formula_sum            'Eu2 Ge4 Na8 S12'
_chemical_formula_weight         1162.92
_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                 107.164(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   6.8487(14)
_cell_length_b                   11.812(2)
_cell_length_c                   7.7352(16)
_cell_measurement_reflns_used    1063
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      2.76
_cell_volume                     597.9(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      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_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            2655
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    11.312
_exptl_absorpt_correction_T_max  0.8054
_exptl_absorpt_correction_T_min  0.4259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.230
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             534
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.055
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         760
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0305
_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^)+(0.0250P)^2^+6.1967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0683
_reflns_number_gt                658
_reflns_number_total             760
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-226-74.cif
_cod_data_source_block           Eu2Ge4Na8S12
_cod_depositor_comments
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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               1561965