Tb~2~Mo~4~O~15~
Haruo Naruke; Toshihiro Yamase; Acta Crystallographica Section E 57 (2001) i106–i108; doi:10.1107/S1600536801018517

data_2200587
_publ_section_title
;
 Tb~2~Mo~4~O~15~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i106
_journal_page_last               i108
_journal_paper_doi               10.1107/S1600536801018517
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     'Tb2 Mo4 O15'
_chemical_formula_sum            'Mo4 O15 Tb2'
_chemical_formula_weight         941.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.827(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.8666(4)
_cell_length_b                   9.6596(3)
_cell_length_c                   10.5866(5)
_cell_measurement_reflns_used    3943
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.7
_cell_volume                     675.57(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2000'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full .9974
_diffrn_measured_fraction_theta_max .9974
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .045
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6254
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.971
_exptl_absorpt_correction_T_max  .512
_exptl_absorpt_correction_T_min  .284
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Higashi, 1999a,b)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             836
_exptl_crystal_size_max          .100
_exptl_crystal_size_mid          .100
_exptl_crystal_size_min          .050
_refine_diff_density_max         1.82
_refine_diff_density_min         -1.97
_refine_ls_extinction_coef       .0520(10)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   .900
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     98
_refine_ls_number_reflns         1543
_refine_ls_R_factor_gt           .0226
_refine_ls_shift/su_max          .0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0604
_reflns_number_gt                1454
_reflns_number_total             1545
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            br6034.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Mo4 O15 Tb2 '
_cod_database_code               2200587
_cod_database_fobs_code          2200587