Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution, Comparison with [Nb6O19](8-).
Abramov, Pavel A.; Zemerova, Tatiana P.; Moroz, Nikolay K.; Kompankov, Nikolay B.; Zhdanov, Artem A.; Tsygankova, Alfiya R.; Vicent, Cristian; Sokolov, Maxim N.; Inorganic chemistry 55 (2016) 1381–1389; doi:10.1021/acs.inorgchem.5b01806

data_4346623
_publ_section_title
;
 Synthesis and Characterization of [(OH)TeNb5O18](6-) in Water Solution,
 Comparison with [Nb6O19](8-).
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1381
_journal_page_last               1389
_journal_paper_doi               10.1021/acs.inorgchem.5b01806
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'H26 K6 Na Nb5.5 O32 Te0.5'
_chemical_formula_weight         1370.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                82.836(3)
_cell_angle_beta                 80.360(4)
_cell_angle_gamma                77.789(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7486(6)
_cell_length_b                   10.4111(6)
_cell_length_c                   16.5294(12)
_cell_measurement_temperature    296(2)
_cell_volume                     1609.56(18)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'SHELXLE (Sheldrick, 2011)'
_computing_publication_material  'CIFTAB-97 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22723
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.610
_diffrn_reflns_theta_min         1.255
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.239
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.828
_exptl_crystal_description       plate
_exptl_crystal_F_000             1317
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.798
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7135
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0305P)^2^+5.3519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0838
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5527
_reflns_number_total             7135
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5b01806_si_003.cif
_cod_data_source_block           zt
_cod_original_cell_volume        1609.57(18)
_cod_original_formula_sum        'H26 K6 Na Nb5.50 O32 Te0.50'
_cod_database_code               4346623
_shelx_estimated_absorpt_t_min   0.697
_shelx_estimated_absorpt_t_max   0.881
_shelxl_version_number           2013-4
_shelx_res_checksum              19492
_shelx_hkl_checksum              8869