The low-symmetry lanthanum(III) oxotellurate(IV), La~10~Te~12~O~39~
Wang, Peng Li; Mozharivskyj, Yurij; Acta Crystallographica Section E 69 (2013) i36–; doi:10.1107/S1600536813012191

data_2238077
_publ_section_title
;
 The low-symmetry lanthanum(III) oxotellurate(IV), La~10~Te~12~O~39~
;
_journal_coeditor_code           WM2737
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i36
_journal_paper_doi               10.1107/S1600536813012191
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'La10 Te12 O39'
_chemical_formula_moiety         'La10 O39 Te12'
_chemical_formula_sum            'La10 O39 Te12'
_chemical_formula_weight         3544.30
_chemical_name_systematic
;
Decalanthanum dodecatellurium triacontnonaoxide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                95.53(3)
_cell_angle_beta                 100.88(3)
_cell_angle_gamma                93.13(3)
_cell_formula_units_Z            1
_cell_length_a                   5.6856(11)
_cell_length_b                   12.621(3)
_cell_length_c                   14.402(3)
_cell_measurement_reflns_used    18743
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      36.9
_cell_measurement_theta_min      2.9
_cell_volume                     1007.4(4)
_computing_cell_refinement       'X-AREA (Stoe, 2004)'
_computing_data_collection       'X-AREA (Stoe, 2004)'
_computing_data_reduction        'X-RED32 (Stoe, 2004)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.1414
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18743
_diffrn_reflns_theta_full        36.33
_diffrn_reflns_theta_max         36.33
_diffrn_reflns_theta_min         2.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.979
_exptl_absorpt_correction_T_max  0.7016
_exptl_absorpt_correction_T_min  0.2559
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(<i>X-SHAPE</i> and <i>X-RED32</i>; Stoe, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1506
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.036
_exptl_crystal_size_min          0.023
_refine_diff_density_max         3.707
_refine_diff_density_min         -3.978
_refine_ls_extinction_coef       0.00195(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.765
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         8922
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.765
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0122P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                5110
_reflns_number_total             8922
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2737.cif
_cod_data_source_block           I
_cod_original_cell_volume        1007.3(3)
_cod_database_code               2238077
_cod_database_fobs_code          2238077