Gladkovskyite, MnTlAs3S6, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia
Anatoly V. Kasatkin; E Makovicky; Jakub Plasil; Radek Skoda; Nikita V. Chukanov; Sergey Y. Stepanov; Atali A. Agakhanov; Fabrizio Nestola; Journal of GeoSciences 64 (2019) 207–218; doi:10.3190/jgeosci.290

data_1566237
_publ_section_title
;
 Gladkovskyite, MnTlAs3S6, a new thallium sulfosalt from the Vorontsovskoe
 gold deposit, Northern Urals, Russia
;
_journal_name_full               'Journal of GeoSciences'
_journal_page_first              207
_journal_page_last               218
_journal_paper_doi               10.3190/jgeosci.290
_journal_volume                  64
_journal_year                    2019
_chemical_formula_sum            'As3 Mn S6 Tl'
_chemical_formula_weight         676.4
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.6392(2)
_cell_length_b                   9.6392(2)
_cell_length_c                   6.4560(15)
_cell_measurement_reflns_used    3694
_cell_measurement_temperature    294(17)
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      3.97
_cell_volume                     519.49(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_diffrn_ambient_temperature      284
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4054
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_av_unetI/netI     0.015
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5407
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.47
_diffrn_reflns_theta_min         3.99
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    27.324
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    4.3245
_exptl_crystal_F_000             602
_refine_diff_density_max         0.76
_refine_diff_density_min         -0.33
_refine_ls_abs_structure_details
'  332 of Friedel pairs used in the refinement'
_refine_ls_abs_structure_Flack   -0.015(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.32
_refine_ls_goodness_of_fit_ref   1.32
_refine_ls_number_constraints    4
_refine_ls_number_parameters     31
_refine_ls_number_reflns         689
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0178
_refine_ls_shift/su_max          0.0476
_refine_ls_shift/su_mean         0.0165
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0412
_refine_ls_wR_factor_ref         0.0414
_reflns_number_gt                679
_reflns_number_total             689
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jgeosci.290_gladkovskyite.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     'P 3;-2c'
_cod_original_formula_sum        'As3 Mn1 S6 Tl1'
_cod_database_code               1566237