Solvothermal Syntheses of Two Novel Layered Quaternary Silver−Antimony(III) Sulfides with Different Strategies
Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; Zhang, Ren-Chun; An, Yong-Lin; Ning, Gui-ling; Crystal Growth & Design 9 (2009) 3821–; doi:10.1021/cg9000335

data_4509432
_publ_section_title
;
 Solvothermal Syntheses of Two Novel Layered Quaternary
 Silver&#x2212;Antimony(III) Sulfides with Different Strategies
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3821
_journal_paper_doi               10.1021/cg9000335
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'Ag2 K S3 Sb'
_chemical_formula_weight         472.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.697(3)
_cell_angle_beta                 92.804(3)
_cell_angle_gamma                90.732(2)
_cell_formula_units_Z            4
_cell_length_a                   6.7406(3)
_cell_length_b                   9.4172(4)
_cell_length_c                   10.9115(5)
_cell_measurement_temperature    293(2)
_cell_volume                     691.69(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6846
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    10.864
_exptl_absorpt_correction_T_max  0.344
_exptl_absorpt_correction_T_min  0.151
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    4.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.078
_refine_diff_density_min         -1.359
_refine_diff_density_rms         0.237
_refine_ls_extinction_coef       0.0101(4)
_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   1.083
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         3123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0298
_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^)+(0.0356P)^2^+2.7435P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                2908
_reflns_number_total             3123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9000335sup2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      p-1
_cod_original_formula_sum        ' KAg2SbS3'
_cod_database_code               4509432