l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~
Chaqour, S.M.; Tomas, A.; Lemoine, P.; Palazzi, M.; Guittard, M.; Acta Crystallographica Section C 50 (1994) 1655–1657; doi:10.1107/S0108270194000971

data_2010165
_publ_section_title
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 l'Undecasulfure de difer et d'hexaytterbium, Fe~2~Yb~6~S~11~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1655
_journal_page_last               1657
_journal_paper_doi               10.1107/S0108270194000971
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Fe2 S11 Yb6'
_chemical_formula_weight         1502.594
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.7190(10)
_cell_length_b                   12.395(2)
_cell_length_c                   34.147(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      10.56
_cell_measurement_theta_min      4.10
_cell_volume                     1574.1(5)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            827
_diffrn_reflns_theta_max         24.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    38.36
_exptl_absorpt_correction_T_max  1.355
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            M\'etallique
_exptl_crystal_density_diffrn    6.34(3)
_exptl_crystal_density_meas      6.30(10)
_exptl_crystal_density_method    pycnometrie
_exptl_crystal_description       Parall\'el\'epip\`ede
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.87
_refine_ls_extinction_coef       0.41(2)
_refine_ls_extinction_method     'Becker, type 1 (Becker & Coppens, 1975)'
_refine_ls_goodness_of_fit_obs   1.77
_refine_ls_number_parameters     62
_refine_ls_number_reflns         609
_refine_ls_R_factor_obs          0.0534
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0532
_reflns_number_observed          609
_reflns_number_total             827
_reflns_observed_criterion       I>4\s(I)
_cod_data_source_file            du1060.cif
_cod_data_source_block           du1060_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1574.5
_cod_database_code               2010165