The crystal structure of KNa3Te8O18·5H2O exhibiting a ∞ 2[Te4O9]2− layer
Geng, Lei; Zeitschrift für Kristallographie - New Crystal Structures 237 (2022) 179–181; doi:10.1515/ncrs-2021-0415

data_8104994
_publ_section_title
;
 The crystal structure of KNa3Te8O18&#x00B7;5H2O exhibiting a \\infty
 2[Te4O9]2&#x2212; layer
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              179
_journal_page_last               181
_journal_paper_doi               10.1515/ncrs-2021-0415
_journal_volume                  237
_journal_year                    2022
_chemical_formula_sum            'H16 K Na3 O26 Te8'
_chemical_formula_weight         1561.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_cell_angle_alpha                67.582(2)
_cell_angle_beta                 66.167(2)
_cell_angle_gamma                77.861(2)
_cell_formula_units_Z            1
_cell_length_a                   8.5701(4)
_cell_length_b                   8.7278(4)
_cell_length_c                   10.4082(5)
_cell_measurement_reflns_used    9344
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5655
_cell_measurement_theta_min      2.53
_cell_volume                     656.85(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_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       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11149
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.566
_diffrn_reflns_theta_min         2.267
_exptl_absorpt_coefficient_mu    9.063
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.946
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_exptl_transmission_factor_max   0.484
_exptl_transmission_factor_min   0.256
_refine_diff_density_max         0.497
_refine_diff_density_min         -1.652
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3028
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0180
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0214P)^2^+2.0998P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0452
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2970
_reflns_number_total             3028
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0415_suppl.cif
_cod_data_source_block           a
_cod_original_cell_volume        656.85(6)
_cod_database_code               8104994
_shelx_estimated_absorpt_t_min   0.325
_shelx_estimated_absorpt_t_max   0.531