New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O
Ok, Kang Min; Halasyamani, P. Shiv; Chemistry of Materials 13 (2001) 4278–4284; doi:10.1021/cm0103489

data_4000683
_publ_section_title
;
 New Tellurites: Syntheses, Structures, and Characterization of
 K2Te4O9&#x00B7;3.2H2O, KGaTe6O14, and KGaTe2O6&#x00B7;1.8H2O
;
_journal_coden_ASTM              CMATEX
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4278
_journal_page_last               4284
_journal_paper_doi               10.1021/cm0103489
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'H8 K2 O12.2 Te4'
_chemical_formula_weight         790.20
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                60.8490(10)
_cell_angle_beta                 69.9180(10)
_cell_angle_gamma                85.9680(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5046(5)
_cell_length_b                   10.7097(8)
_cell_length_c                   10.7159(8)
_cell_measurement_temperature    293.0(2)
_cell_volume                     701.49(9)
_diffrn_ambient_temperature      293.0(2)
_diffrn_measured_fraction_theta_full 0.93
_diffrn_measured_fraction_theta_max 0.93
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_av_unetI/netI     0.019
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4283
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    8.886
_exptl_crystal_density_diffrn    3.81
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.697
_refine_diff_density_min         -1.555
_refine_diff_density_rms         0.284
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.56(4)
_refine_ls_extinction_coef       0.0040(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         3540
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0671P)^2^+2.0015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0859
_reflns_number_gt                3491
_reflns_number_total             3540
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            4000094_b.cif
_cod_database_code               4000683