Ca<sub>10</sub>Na<sub>10</sub>[Te<sub>9</sub>O<sub>42</sub>](H<sub>2</sub>O): a hydrothermally synthesized quaternary tellurium(vi) oxide containing edge-sharing octahedral trimers.
Zhang, Li-Yun; Lii, Kwang-Hwa; Dalton transactions (Cambridge, England : 2003) 48 (2019) 15231–15235; doi:10.1039/c9dt03521d

data_7701691
_publ_section_title
;
 Ca<sub>10</sub>Na<sub>10</sub>[Te<sub>9</sub>O<sub>42</sub>](H<sub>2</sub>O):
 a hydrothermally synthesized quaternary tellurium(vi) oxide containing
 edge-sharing octahedral trimers.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15231
_journal_page_last               15235
_journal_paper_doi               10.1039/c9dt03521d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'Ca10 Na10 Te9 O42, (H2 O)'
_chemical_formula_sum            'Ca10 H2 Na10 O43 Te9'
_chemical_formula_weight         2469.12
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-06-16 deposited with the CCDC.	2019-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                120.00(3)
_cell_formula_units_Z            6
_cell_length_a                   9.743(2)
_cell_length_b                   9.743(2)
_cell_length_c                   66.337(13)
_cell_measurement_reflns_used    1502
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.528
_cell_measurement_theta_min      2.491
_cell_volume                     5453(3)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0068
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       88
_diffrn_reflns_limit_l_min       -87
_diffrn_reflns_number            74673
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.258
_diffrn_reflns_theta_min         2.491
_diffrn_source                   'I\mS 3.0 microfocus X-ray source'
_exptl_absorpt_coefficient_mu    8.791
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.511
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_F_000             6744
_exptl_crystal_size_max          0.479
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.084
_refine_diff_density_max         1.293
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.000069(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         1502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0160
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0153P)^2^+65.4067P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0428
_refine_ls_wR_factor_ref         0.0441
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1379
_reflns_number_total             1502
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt03521d2.cif
_cod_data_source_block           CNTe24
_cod_original_cell_volume        5453(2)
_cod_original_sg_symbol_H-M      'R -3 c :h'
_cod_database_code               7701691
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.102
_shelx_estimated_absorpt_t_max   0.525
_shelx_res_checksum              68935