Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+
Dong Woo Lee; Kang Min Ok; Inorganic Chemistry 52 (2013) 6236–6238; doi:10.1021/ic4009152

data_4335134
_publ_section_title
;
 Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like
 Layered Framework Containing Both a Main-Group Cation, In3+, and a
 Lone-Pair Cation, Te4+
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6236
_journal_page_last               6238
_journal_paper_doi               10.1021/ic4009152
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'In Na1.4 O9.4 Te3.6'
_chemical_formula_weight         756.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 107.457(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2026(5)
_cell_length_b                   6.7162(3)
_cell_length_c                   13.0527(6)
_cell_measurement_temperature    298.0(2)
_cell_volume                     936.84(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298.0(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART BREEZE'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12314
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    13.609
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS(Blessing, 1995) 
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    5.333
_exptl_crystal_description       Block
_exptl_crystal_F_000             1630
_exptl_crystal_size_max          0.029
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.014
_refine_diff_density_max         2.214
_refine_diff_density_min         -2.641
_refine_diff_density_rms         0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1657
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0326P)^2^+4.1310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                1385
_reflns_number_total             1657
_reflns_threshold_expression     >2s\(I)
_cod_data_source_file            ic4009152_si_002_1.cif
_cod_data_source_block           Na1.4InTe3.6O9.4
_cod_database_code               4335134