β-BaTbF~6~
Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel; Acta Crystallographica Section C 53 (1997) 530–532; doi:10.1107/S0108270196014527

data_2006096
_publ_section_title
;
 \b-BaTbF~6~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              530
_journal_page_last               532
_journal_paper_doi               10.1107/S0108270196014527
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Ba F6 Tb'
_chemical_formula_weight         410.25
_space_group_IT_number           67
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7610(10)
_cell_length_b                   11.513(3)
_cell_length_c                   5.5234(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      19
_cell_measurement_theta_min      6
_cell_volume                     493.53(16)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_structure_refinement  MolEN
_computing_structure_solution    MolEN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            888
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.75
_exptl_absorpt_correction_T_max  0.321
_exptl_absorpt_correction_T_min  0.211
_exptl_absorpt_correction_type   '\y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.523
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         '2.358 e \%A^-3^ (close to Tb)'
_refine_diff_density_min         '-2.797 e \%A^-3^ (close to Tb)'
_refine_ls_extinction_coef       'g = 6.6(2) x 10^-7^'
_refine_ls_extinction_method
'|F~c~| = |F~o~|(1 + gI~c~) (Stout & Jensen, 1968)'
_refine_ls_goodness_of_fit_obs   1.615
_refine_ls_number_parameters     24
_refine_ls_number_reflns         769
_refine_ls_R_factor_obs          .026
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 1.0 for F~o~<0.8F~o~(max),
w = [0.8F~o~(max)/F~o~]^-2^ for F~o~>=0.8F~o~(max)
;
_refine_ls_wR_factor_obs         .030
_reflns_number_observed          779
_reflns_number_total             888
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            br1157.cif
_cod_data_source_block           global
_cod_original_cell_volume        493.57(17)
_cod_original_formula_sum        'Ba Tb F6'
_cod_database_code               2006096
_cod_database_fobs_code          2006096