The crystal structure of Tm~5~Re~2~O~12~
Ehrenberg, H.; Hartmann, T.; Wltschek, G.; Fuess, H.; Morgenroth, W.; Krane, H.-G.; Acta Crystallographica Section B 55 (1999) 849–852; doi:10.1107/S0108768199005194

data_2105634
_publ_section_title
;
 The crystal structure of Tm~5~Re~2~O~12~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              849
_journal_page_last               852
_journal_paper_doi               10.1107/S0108768199005194
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'O12 Re2 Tm5'
_chemical_formula_weight         1409.05
_chemical_name_systematic        'Pentathulium dirhenium dodecaoxide'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.816(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3717(7)
_cell_length_b                   5.6744(3)
_cell_length_c                   7.4805(4)
_cell_measurement_reflns_used    460
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      38.89
_cell_measurement_theta_min      3.43
_cell_volume                     499.96(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .717
_diffrn_measured_fraction_theta_max .717
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       omega-scans
_diffrn_radiation_monochromator  silicon
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .42750
_diffrn_reflns_av_R_equivalents  .0532
_diffrn_reflns_av_sigmaI/netI    .0912
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8671
_diffrn_reflns_theta_full        38.89
_diffrn_reflns_theta_max         38.89
_diffrn_reflns_theta_min         3.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.587
_exptl_absorpt_correction_T_max  .85
_exptl_absorpt_correction_T_min  .19
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    9.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1182
_refine_diff_density_max         14.225
_refine_diff_density_min         -12.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         4961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.246
_refine_ls_R_factor_all          .0849
_refine_ls_R_factor_gt           .0682
_refine_ls_shift/su_max          .000
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0103P)^2^+1.6684P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1518
_reflns_number_gt                4165
_reflns_number_total             4961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            os0018.cif
_cod_data_source_block           tm5
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2105634