Paraelastic Pb~5~Al~3~F~19~ at 370 K
Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C.; Acta Crystallographica Section C 51 (1995) 1731–1732; doi:10.1107/S0108270195001879

data_2003882
_publ_section_title
;
 Paraelastic Pb~5~Al~3~F~19~ at 370 K
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1731
_journal_page_last               1732
_journal_paper_doi               10.1107/S0108270195001879
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'melting and slow cooling'
_chemical_formula_analytical     'Pb5 Al3 F19'
_chemical_formula_moiety         'Pb5 Al3 F19'
_chemical_formula_sum            'Al3 F19 Pb5'
_chemical_formula_weight         1477.89
_chemical_name_systematic        ' ?'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.285(7)
_cell_length_b                   14.285(7)
_cell_length_c                   7.227(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    370
_cell_measurement_theta_max      26
_cell_measurement_theta_min      10
_cell_volume                     1474.8(12)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'local program (unpublished)'
_computing_molecular_graphics
'   CRYSTALS (Watkin, Carruthers & Betteridge, 1985)'
_computing_structure_refinement
'   CRYSTALS (Watkin, Carruthers & Betteridge, 1985)'
_diffrn_ambient_temperature      370
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \w/\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Xray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .065
_diffrn_reflns_av_sigmaI/netI    3
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -020
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -020
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5787
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         0
_diffrn_standards_decay_%        <4
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    56.4
_exptl_absorpt_correction_T_max  .0185
_exptl_absorpt_correction_T_min  .0009
_exptl_absorpt_correction_type   'by spherical model'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    6.66
_exptl_crystal_density_meas      6.66
_exptl_crystal_description       sphere
_exptl_crystal_F_000             2480
_exptl_crystal_size_rad          .3
_refine_diff_density_max         5
_refine_diff_density_min         -06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.12
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1115
_refine_ls_number_restraints     0
_refine_ls_restrained_S_obs      1.12
_refine_ls_R_factor_obs          .053
_refine_ls_shift/esd_max         .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      '[w][1-(\DF/6\sF)^2^]^2^'
_refine_ls_wR_factor_obs         .058
_reflns_number_observed          1314
_reflns_number_total             1715
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1109.cif
_cod_data_source_block           Pb5Al3F19
_cod_original_cell_volume        1475(3)
_cod_database_code               2003882