#------------------------------------------------------------------------------
#$Date: 2015-03-26 12:43:51 +0200 (Thu, 26 Mar 2015) $
#$Revision: 3140 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/2001495-incorrect-weighting-scheme.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001495
loop_
_publ_author_name
'Likforman, A.'
'Guittard, M.'
_publ_section_title
;
 Structure cristalline du sulfure d'ytterbium et d'indium:
 Yb~4/3~In~4/3~S~4~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1270
_journal_page_last               1271
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'In2 S4 Yb2'
_chemical_formula_weight         512.05
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m'
_atom_type_scat_source           'IntTabIV Tableaux 2.2A et 2.3.1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   10.873(5)
_cell_length_b                   10.873(5)
_cell_length_c                   10.873(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      10.65
_cell_measurement_theta_min      6.23
_cell_volume                     1285.4(10)
_diffrn_measurement_device       'Quatre cercles Synthex'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            97
_diffrn_reflns_theta_max         31.54
_diffrn_standards_decay_%        0.0022
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    26.1
_exptl_absorpt_correction_T_max  0.259
_exptl_absorpt_correction_T_min  0.129
_exptl_absorpt_correction_type
;
M\'ethode analytique (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            Noire
_exptl_crystal_density_diffrn    5.29(2)
_exptl_crystal_density_meas      5.40(10)
_exptl_crystal_density_method    pycnom\'etrie
_exptl_crystal_description       'Plaquette triangulaire'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.40
_refine_ls_extinction_coef       '0.66 x 10^2^'
_refine_ls_extinction_method     'Becker & Coppens (1975) type I'
_refine_ls_goodness_of_fit_obs   1.81
_refine_ls_number_parameters     '10 par cycle'
_refine_ls_number_reflns         68
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.0007
_refine_ls_structure_factor_coef 'F (ORXFLS; Busing, 1971)'
_refine_ls_weighting_scheme      1.0
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          68
_reflns_number_total             97
_reflns_observed_criterion       I>2\s(I)
_[local]_cod_data_source_file    du1005.cif
_[local]_cod_data_source_block   du1005_structure_1_of_1
_cod_original_cell_volume        1285(2)
_cod_database_code               2001495
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
In1 .125 .125 .125 .017(3)
Yb1 .0 .0 .0 .023(3)
Yb2 .5 .5 .5 .0213(4)
In2 .5 .5 .5 .0213(4)
S .2559(7) .2559(7) .25559(7) .0215(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
In1 S 2.465(5)
Yb1 S 2.784(5)
Yb2 S 2.656(5)
_journal_paper_doi 10.1107/S0108270192013131
