Caesium Pentafluoroterbate, CsTbF~5~
Gaumet, Vincent; Avignant, Daniel; Acta Crystallographica Section C 53 (1997) 1176–1178; doi:10.1107/S0108270197005556

data_2006461
_publ_section_title
;
 Caesium Pentafluoroterbate, CsTbF~5~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1176
_journal_page_last               1178
_journal_paper_doi               10.1107/S0108270197005556
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Cs F5 Tb'
_chemical_formula_weight         386.82
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.0670(10)
_cell_length_b                   8.163(2)
_cell_length_c                   8.161(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      6
_cell_volume                     937.1(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'CAD-4 Structure Determination Package (Frenz, 1982)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_structure_refinement  'CAD-4 Structure Determination Package'
_computing_structure_solution    'CAD-4 Structure Determination Package'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1641
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    22.87
_exptl_absorpt_correction_T_max  0.9960
_exptl_absorpt_correction_T_min  0.5294
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         '2.274 e \%A^-3^ (near Tb)'
_refine_diff_density_min         '-2.596 e \%A^-3^ (near Cs)'
_refine_ls_extinction_coef       4.0e-7(1)
_refine_ls_extinction_method     '|F~c~| = |F~o~|(1 + gI~c~)'
_refine_ls_goodness_of_fit_obs   1.339
_refine_ls_number_parameters     39
_refine_ls_number_reflns         1094
_refine_ls_R_factor_obs          .026
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[\s^2^(F) + (0.02F)^2^ + 1] (Killean & Lawrence, 1969)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .028
_reflns_number_observed          1094
_reflns_number_total             1641
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            br1167.cif
_cod_data_source_block           CsTbF5
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_formula_sum        'Cs Tb F5'
_cod_database_code               2006461