First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
M. Evain; V. Petricek; Y. Moëlo; C. Maurel; Acta Crystallographica Section B 62 (2006) 775–789; doi:10.1107/S010876810602547X

data_2100612
_publ_section_title
;
 First (3+2)-dimensional superspace approach to the structure of
 levyclaudite-(Sb), a member of the cylindrite-type minerals
;
_journal_coeditor_code           CK5020
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              775
_journal_page_last               789
_journal_paper_doi               10.1107/S010876810602547X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_sum            'Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851'
_chemical_formula_weight         474.1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                92.484(8)
_cell_angle_beta                 90.687(9)
_cell_angle_gamma                89.941(8)
_cell_formula_units_Z            2
_cell_length_a                   3.6733(4)
_cell_length_b                   6.3120(5)
_cell_length_c                   11.9039(12)
_cell_modulation_dimension       2
_cell_subsystems_number          2
_cell_volume                     275.72(5)
_computing_publication_material  '(Jana2006; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2006; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.00
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_index_m_1_max 11
_diffrn_reflns_limit_index_m_1_min -11
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_diffrn_reflns_limit_index_m_2_min -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            99197
_diffrn_reflns_theta_full        0.00
_diffrn_reflns_theta_max         35.02
_diffrn_reflns_theta_min         6.37
_exptl_absorpt_coefficient_mu    37.04
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_correction_T_min  0.039
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Jana2006; Petricek, Dusek & Palatinus, 2006)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.7089
_exptl_crystal_description       platelet
_exptl_crystal_F_000             407
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.0024
_refine_diff_density_max         3.34
_refine_diff_density_min         -3.21
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         12026
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0741
_refine_ls_shift/su_max          0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                0
_reflns_number_total             29574
_reflns_threshold_expression     I>2.5\s(I)
_cod_data_source_file            ck5020.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C-1
_cod_database_code               2100612