Controlling Lewis Basicity in Polythioarsenate Fluxes: Stabilization of KSnAsS5 and K2SnAs2S6. Extended Chains and Slabs Based on Pyramidal β-[AsS4]3- and [AsS3]3- Units
Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis; Inorganic Chemistry 41 (2002) 3605–3607; doi:10.1021/ic025523h

data_4318213
_publ_section_title
;
 Controlling Lewis Basicity in Polythioarsenate Fluxes: Stabilization of
 KSnAsS5 and K2SnAs2S6. Extended Chains and Slabs Based on Pyramidal
 \b-[AsS4]3- and [AsS3]3- Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3605
_journal_page_last               3607
_journal_paper_doi               10.1021/ic025523h
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'As K S5 Sn'
_chemical_formula_weight         393.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.136(2)
_cell_length_b                   13.784(4)
_cell_length_c                   7.428(2)
_cell_measurement_temperature    293(2)
_cell_volume                     833.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7369
_diffrn_reflns_theta_full        28.13
_diffrn_reflns_theta_max         28.13
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    8.663
_exptl_crystal_density_diffrn    3.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             728
_refine_diff_density_max         1.931
_refine_diff_density_min         -1.185
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         1034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0551P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                865
_reflns_number_total             1034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025523h_s1_1.cif
_cod_data_source_block           1492a1x
_cod_database_code               4318213