Redetermination of the structure of hessite, Ag~2~Te-III
van der Lee, A.; de Boer, J. L.; Acta Crystallographica Section C 49 (1993) 1444–1446; doi:10.1107/S0108270193003294

data_2001429
_publ_section_title
;
 Redetermination of the structure of hessite, Ag~2~Te-III
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1444
_journal_page_last               1446
_journal_paper_doi               10.1107/S0108270193003294
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ag2 Te'
_chemical_formula_weight         343.34
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.160(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1640(10)
_cell_length_b                   4.4680(10)
_cell_length_c                   8.9770(10)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    295
_cell_measurement_theta_max      33.19
_cell_measurement_theta_min      30.50
_cell_volume                     270.96(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4F'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6332
_diffrn_reflns_theta_max         49.99
_diffrn_standards_decay_%        '0.25, 0.20, 0.29'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    24.56
_exptl_absorpt_correction_T_max  7.95
_exptl_absorpt_correction_T_min  4.95
_exptl_absorpt_correction_type   'integration (Spek, 1983)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    8.395
_exptl_crystal_description       cylinder
_exptl_crystal_size_max          0.15
_exptl_crystal_size_rad          0.05
_refine_diff_density_max         5.7
_refine_diff_density_min         -5.8
_refine_ls_extinction_coef       370.E1(10)
_refine_ls_extinction_method     'Zachariasen (gaussian)'
_refine_ls_goodness_of_fit_obs   6.979
_refine_ls_number_parameters     29
_refine_ls_number_reflns         2266
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         <10^-5^
_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         0.042
_reflns_number_observed          2266
_reflns_number_total             3060
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            ha1058.cif
_cod_data_source_block           ha1058_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)' 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        271.00(10)
_cod_original_formula_sum        'Ag2 Te1'
_cod_database_code               2001429