A new one-dimensional compound: synthesis and structure of InNb~3~(Se~2~)~6~
Deng, S.; Zhuang, H.; Huang, Jinshun; Huang, Jingling; Acta Crystallographica Section C 49 (1993) 786–788; doi:10.1107/S0108270192010904

data_2001810
_publ_section_title
;
 A new one-dimensional compound: synthesis and structure of
 InNb~3~(Se~2~)~6~
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              786
_journal_page_last               788
_journal_paper_doi               10.1107/S0108270192010904
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'In Nb3 Se12'
_chemical_formula_weight         1341.06
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_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                   9.4500(10)
_cell_length_b                   9.4500(10)
_cell_length_c                   19.068(9)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    300
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9
_cell_volume                     1702.8(8)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1284
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        3.6
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    28.57
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    5.23
_exptl_crystal_density_meas      5.20(10)
_exptl_crystal_description       'Square prismatic'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.35
_refine_diff_density_min         1.65
_refine_ls_extinction_coef       8.9E-7
_refine_ls_extinction_method     'Zachariasen (1963)'
_refine_ls_goodness_of_fit_obs   1.15
_refine_ls_number_parameters     43
_refine_ls_number_reflns         499
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+(0.02|F~o~|)^2^ +1.0]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          499
_reflns_number_total             1284
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1022.cif
_cod_data_source_block           mu1022_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~)+(0.02|F~o~|)^2^
+1.0]' 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~o~)+(0.02|F~o~|)^2^ +1.0]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1703.0(10)
_cod_original_formula_sum        'In1 Nb3 Se12'
_cod_database_code               2001810