Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~
Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves; Acta Crystallographica Section B 73 (2017) 369–376; doi:10.1107/S2052520617002657

data_2108114
_publ_section_title
;
 Could incommensurability in sulfosalts be more common than thought? The
 case of meneghinite, CuPb~13~Sb~7~S~24~
;
_journal_coeditor_code           XK5035
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              369
_journal_page_last               376
_journal_paper_doi               10.1107/S2052520617002657
_journal_volume                  73
_journal_year                    2017
_chemical_formula_sum            'Cu0.966 Pb13.196 S24 Sb6.804'
_chemical_formula_weight         4393.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_space_group_ssg_name            Pnma(0\b0)00s
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(6)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            1
_cell_length_a                   24.0549(3)
_cell_length_b                   4.1291(6)
_cell_length_c                   11.3361(16)
_cell_measurement_temperature    297.4
_cell_modulation_dimension       1
_cell_volume                     1126.0(2)
_diffrn_ambient_temperature      297.4
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    54.685
_exptl_crystal_density_diffrn    6.4791
_exptl_crystal_F_000             1839
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.21
_refine_ls_goodness_of_fit_ref   1.97
_refine_ls_number_constraints    78
_refine_ls_number_parameters     216
_refine_ls_number_reflns         6604
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.8073
_refine_ls_shift/su_mean         0.0432
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1145
_reflns_number_gt                4696
_reflns_number_total             6604
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            xk5035sup1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               2108114
_cod_database_fobs_code 2108114