Na2EuAs2S5, NaEuAsS4, and Na4Eu(AsS4)2: Controlling the Valency of Arsenic in Polysulfide Fluxes
Tarun K. Bera; Mercouri G. Kanatzidis; Inorganic Chemistry 51 (2012) 4293–4299; doi:10.1021/ic202781c

data_4328831
_publ_section_title
;
 Na2EuAs2S5, NaEuAsS4, and Na4Eu(AsS4)2: Controlling the Valency of
 Arsenic in Polysulfide Fluxes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4293
_journal_page_last               4299
_journal_paper_doi               10.1021/ic202781c
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'As4 Eu2 Na4 S10'
_chemical_formula_weight         1016.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.270(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.966(2)
_cell_length_b                   5.7085(3)
_cell_length_c                   11.3641(9)
_cell_measurement_reflns_used    20322
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.88
_cell_measurement_theta_min      2.87
_cell_volume                     1842.8(2)
_computing_cell_refinement       X-area
_computing_data_collection       X-area
_computing_data_reduction        X-area
_computing_molecular_graphics    Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       'profile data from \w scan'
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20322
_diffrn_reflns_theta_full        31.88
_diffrn_reflns_theta_max         31.88
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    15.077
_exptl_absorpt_correction_T_max  0.8870
_exptl_absorpt_correction_T_min  0.4334
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   XRED32
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.663
_exptl_crystal_density_meas      3.663
_exptl_crystal_description       needle
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.057
_refine_diff_density_min         -2.656
_refine_diff_density_rms         0.361
_refine_ls_extinction_coef       0.0
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.218
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         6209
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.218
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          1.506
_refine_ls_shift/su_mean         0.113
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0144P)^2^+34.5300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                5089
_reflns_number_total             6209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202781c_si_002_2.cif
_cod_data_source_block           Na2EuAs2S5
_cod_original_cell_volume        1842.9(2)
_cod_database_code               4328831