A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~)
Huang, Jin-Ling; Huang, Da-Ping; Liu, Shi-Xiong; Huang, Chang-Cang; Xu, Huai-Da; Acta Crystallographica Section C 54 (1998) 895–897; doi:10.1107/S010827019701860X

data_2007469
_publ_section_title
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 A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~)
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              895
_journal_page_last               897
_journal_paper_doi               10.1107/S010827019701860X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         '(Ta Te4 )6 I4 (Ta I6)'
_chemical_formula_sum            'I10 Ta7 Te24'
_chemical_formula_weight         5598.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                91.06(2)
_cell_angle_beta                 102.02(2)
_cell_angle_gamma                94.69(2)
_cell_formula_units_Z            1
_cell_length_a                   7.712(2)
_cell_length_b                   26.454(8)
_cell_length_c                   6.777(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      20
_cell_measurement_theta_min      12
_cell_volume                     1346.9(7)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10867
_diffrn_reflns_theta_max         33.1
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    32.468
_exptl_absorpt_correction_T_max  0.522
_exptl_absorpt_correction_T_min  0.292
_exptl_absorpt_correction_type   'refdelf (Waker & Stuart, 1983)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.90
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.5
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_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.72
_refine_diff_density_min         -3.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.440
_refine_ls_number_parameters     188
_refine_ls_number_reflns         5959
_refine_ls_R_factor_obs          .0318
_refine_ls_shift/esd_max         0.03
_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         .0554
_reflns_number_observed          5959
_reflns_number_total             10215
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            oh1093.cif
_cod_data_source_block           oh1093a
_cod_depositor_comments
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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 3008 2015-01-20 13:52:24Z robertas 

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 
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_cod_original_cell_volume        1346.8(6)
_cod_database_code               2007469