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_4000096
_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_moiety         'Ga1 K1 O7.8 Te2 H3.6'
_chemical_formula_structural     'K GA TE2 O7.8 H3.6'
_chemical_formula_sum            'Ga H3.6 K O7.8 Te2'
_chemical_formula_weight         492.42
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                115.3950(10)
_cell_angle_beta                 93.9730(10)
_cell_angle_gamma                116.0110(10)
_cell_formula_units_Z            3
_cell_length_a                   8.8361(6)
_cell_length_b                   9.1648(6)
_cell_length_c                   9.9531(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     620.63(7)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             654
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.336
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       0.0030(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   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2638
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+1.3823P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0632
_cod_original_formula_sum        'Ga K O7.8 Te2 H3.6'
_cod_database_code               4000096