Ciriottiite, Cu(Cu,Ag)3Pb19(Sb,As)22(As2)S56, the Cu-Analogue of Sterryite from the Tavagnasco Mining District, Piedmont, Italy
Bindi, Luca; Biagioni, Cristian; Martini, Bruno; Salvetti, Adrio; Minerals 6 (2016) 8–; doi:10.3390/min6010008

data_1542402
_publ_section_title
;
 Ciriottiite, Cu(Cu,Ag)3Pb19(Sb,As)22(As2)S56, the Cu-Analogue of
 Sterryite from the Tavagnasco Mining District, Piedmont, Italy
;
_journal_issue                   1
_journal_name_full               Minerals
_journal_page_first              8
_journal_paper_doi               10.3390/min6010008
_journal_volume                  6
_journal_year                    2016
_chemical_compound_source        'Tavagnasco mine, Italy'
_chemical_formula_sum
'Ag1.6 As25.48 Bi2.39 Cu10.93 Hg1.88 Pb75.54 S224 Sb69.38'
_chemical_formula_weight         34933.78
_chemical_name_mineral           ciriottiite
_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'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   8.178(2)
_cell_length_b                   28.223(6)
_cell_length_c                   42.452(5)
_cell_measurement_reflns_used    1622
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.66
_cell_measurement_theta_min      4.21
_cell_volume                     9779(3)
_computing_cell_refinement       '<i>CrysAlis</i> (Oxford Diffraction, 2006)'
_computing_data_collection       '<i>CrysAlis</i> (Oxford Diffraction, 2006)'
_computing_data_reduction        '<i>CrysAlis</i> (Oxford Diffraction, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       '\w scans'
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0704
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            22638
_diffrn_reflns_theta_full        28.07
_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         6.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 201
_diffrn_standards_number         66
_exptl_absorpt_coefficient_mu    42.886
_exptl_absorpt_correction_T_max  0.180
_exptl_absorpt_correction_T_min  0.113
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '<i>ABSPACK</i> (Oxford Diffraction, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.932
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'tubular crystal'
_exptl_crystal_F_000             14898.5
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.040
_refine_diff_density_max         9.600
_refine_diff_density_min         -8.262
_refine_diff_density_rms         1.196
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     undef
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         22638
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.1176
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0505P)^2^+7844.9634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3182
_refine_ls_wR_factor_ref         0.3187
_reflns_number_gt                21304
_reflns_number_total             22638
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            minerals-06-00008-s1.cif
_cod_data_source_block           tubo
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum
'Ag1.60 As25.48 Bi2.39 Cu10.93 Hg1.88 Pb75.54 S224 Sb69.38'
_cod_database_code               1542402