Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~
Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian; Acta Crystallographica Section B 68 (2012) 480–492; doi:10.1107/S0108768112034027

data_2105250
_publ_section_title
;
 Comparative modular analysis of two complex sulfosalt structures:
 sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As--As)S~56~, and parasterryite,
 Ag~4~Pb~20~(Sb,As)~24~S~58~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              480
_journal_page_last               492
_journal_paper_doi               10.1107/S0108768112034027
_journal_volume                  68
_journal_year                    2012
_chemical_compound_source        'Pollone mine, Tuscany, Italy'
_chemical_formula_moiety         'Ag4 As10.23 Pb20.21 S58 Sb13.56'
_chemical_formula_structural     'Ag4 As10.23 Pb20.21 S58 Sb13.56'
_chemical_formula_sum            'Ag4 As10.23 Pb20.21 S58 Sb13.56'
_chemical_formula_weight         8896.54
_chemical_name_mineral           Parasterryite
_chemical_name_systematic        Parasterryite
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90.061(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3965(5)
_cell_length_b                   27.954(7)
_cell_length_c                   43.884(13)
_cell_measurement_temperature    293
_cell_measurement_theta_max      35
_cell_measurement_theta_min      6.43
_cell_volume                     10300(4)
_computing_cell_refinement       unknown
_computing_data_collection       unknown
_computing_data_reduction        unknown
_computing_molecular_graphics    unknown
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_solution    unknown
_database_code_amcsd             0019483
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       'phi and omega scans method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1784
_diffrn_reflns_av_sigmaI/netI    0.1115
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_number            246165
_diffrn_reflns_theta_full        35
_diffrn_reflns_theta_max         35
_diffrn_reflns_theta_min         6.43
_exptl_absorpt_coefficient_mu    41.858
_exptl_absorpt_correction_T_max  0.0777
_exptl_absorpt_correction_T_min  0.023
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.7533
_exptl_crystal_description       paralleliped
_exptl_crystal_F_000             15209
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.68
_refine_diff_density_min         -2.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.35
_refine_ls_number_constraints    135
_refine_ls_number_parameters     965
_refine_ls_number_reflns         36071
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1566
_refine_ls_R_factor_gt           0.0661
_refine_ls_shift/su_max          1.2848
_refine_ls_shift/su_mean         0.0212
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.000484F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                18992
_reflns_number_total             36071
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            bp5041.cif
_cod_data_source_block           parasterryite
_cod_original_cell_volume        10300(3)
_cod_database_code               2105250
_cod_database_fobs_code          2105250