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_2105249
_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_coeditor_code           BP5041
_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_sum
'Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24'
_chemical_formula_weight         8721.7
_chemical_name_common            'Ag2 As7 Cu1.5 Pb19 S56 Sb16.5'
_chemical_name_mineral           Sterryite
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'Jana2006 Version : 07/10/2009'
_cell_angle_alpha                90
_cell_angle_beta                 94.896(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1891(10)
_cell_length_b                   28.5294(13)
_cell_length_c                   42.98(2)
_cell_measurement_temperature    293
_cell_measurement_theta_max      35
_cell_measurement_theta_min      6.4
_cell_volume                     10005(5)
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_database_code_amcsd             0019482
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       'phi, omega scan'
_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  0.2733
_diffrn_reflns_av_sigmaI/netI    0.1581
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -68
_diffrn_reflns_number            177315
_diffrn_reflns_theta_full        35
_diffrn_reflns_theta_max         35
_diffrn_reflns_theta_min         6.4
_exptl_absorpt_coefficient_mu    41.568
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_correction_T_min  0.1942
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    5.7885
_exptl_crystal_description       block
_exptl_crystal_F_000             14889
_exptl_crystal_size_max          0.142
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.025
_refine_diff_density_max         10.46
_refine_diff_density_min         -8.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.16
_refine_ls_number_constraints    205
_refine_ls_number_parameters     652
_refine_ls_number_reflns         22702
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2043
_refine_ls_R_factor_gt           0.1353
_refine_ls_shift/su_max          0.0292
_refine_ls_shift/su_mean         0.0033
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.000484F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1696
_reflns_number_gt                13875
_reflns_number_total             22702
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            bp5041.cif
_cod_data_source_block           sterryite
_cod_original_cell_volume        10004.78
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_database_code               2105249
_cod_database_fobs_code          2105249