Crystal structure of disamarium undecaoxotetratellurate(IV), Sm~2~Te~4~O~11~
K. Sugiyama; R. Simura; B. Wedel; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 131–132; doi:

data_8102898
_publ_section_title
;
Crystal structure of disamarium undecaoxotetratellurate(IV), Sm~2~Te~4~O~11~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              131
_journal_page_last               132
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'O11 Sm2 Te4'
_chemical_formula_weight         987.10
_chemical_name_systematic
;
disamarium undecaoxotetratellurate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.040(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5691(11)
_cell_length_b                   5.1790(7)
_cell_length_c                   16.2106(15)
_cell_measurement_reflns_used    2828
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.45
_cell_measurement_theta_min      2.61
_cell_volume                     1014.15(19)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    ATOMS
_computing_structure_refinement  SHELXL-97
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       omega/phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5590
_diffrn_reflns_theta_full        30.45
_diffrn_reflns_theta_max         30.45
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    22.796
_exptl_absorpt_correction_T_max  0.387
_exptl_absorpt_correction_T_min  0.282
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ABSCOR
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    6.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platy
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.833
_refine_diff_density_min         -2.549
_refine_diff_density_rms         0.590
_refine_ls_extinction_coef       0.00131(6)
_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   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         1538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                1117
_reflns_number_total             1538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409823.cff
_cod_data_source_block           smte01
_cod_original_sg_symbol_H-M      'C 1 2/c1 '
_cod_database_code               8102898