Tl~2~Te and its relationship with Tl~5~Te~3~
Radovan Černý; Jean-Marc Joubert; Yaroslav Filinchuk; Yves Feutelais; Acta Crystallographica Section C 58 (2002) i63–i65; doi:10.1107/S0108270102005085

data_2012689
_publ_section_title
;
 Tl~2~Te and its relationship with Tl~5~Te~3~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i63
_journal_page_last               i65
_journal_paper_doi               10.1107/S0108270102005085
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'Tl2 Te '
_chemical_formula_structural     'Tl2 Te'
_chemical_formula_sum            'Te Tl2'
_chemical_formula_weight         536.37
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.761(7)
_cell_angle_gamma                90
_cell_formula_units_Z            44
_cell_length_a                   15.6621(9)
_cell_length_b                   8.9873(4)
_cell_length_c                   31.196(2)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     4313.9(4)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 1999)'
_computing_data_reduction
'ADDREF and SORTRF in Xtal (Hall et al., 2000), and TWIN in IPDS Software'
_computing_molecular_graphics    'ATOMS (Dowty, 1993)'
_computing_publication_material  'BONDLA and CIFIO in Xtal'
_computing_structure_refinement  'LSLS in Xtal '
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f oscillation'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.153
_diffrn_reflns_av_sigmaI/netI    0.167
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            12622
_diffrn_reflns_theta_full        25.93
_diffrn_reflns_theta_max         25.93
_diffrn_reflns_theta_min         2.62
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  10
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    89.103
_exptl_absorpt_correction_T_max  0.127
_exptl_absorpt_correction_T_min  0.019
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 1999)'
_exptl_crystal_colour            'metallic dark grey'
_exptl_crystal_density_diffrn    9.084
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             9416
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         8.97
_refine_diff_density_min         -8.32
_refine_ls_extinction_coef       0.005
_refine_ls_extinction_method     'B-C type 1 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   2.372
_refine_ls_matrix_type           'full matrix'
_refine_ls_number_constraints    0
_refine_ls_number_parameters     150
_refine_ls_number_reflns         1982
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.107
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.188
_refine_ls_wR_factor_obs         0.180
_reflns_number_gt                1989
_reflns_number_total             3865
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            br1351.cif
_cod_data_source_block           I
_cod_depositor_comments
;
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 
;
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012689
_cod_database_fobs_code          2012689