Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite with isolated RuO~6~ units
Zúñiga, F. J.; García-García, F. J.; Hoelzel, M.; Reller, A.; Acta Crystallographica Section C 66 (2010) i50–i54; doi:10.1107/S0108270110013879

data_2017640
_publ_section_title
;
 Al~14~Ba~8~La~26.3~Ru~18~Sr~53.7~O~167~: a variant of cubic perovskite
 with isolated RuO~6~ units
;
_journal_coeditor_code           FA3216
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i50
_journal_page_last               i54
_journal_paper_doi               10.1107/S0108270110013879
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'Al14 Ba8 La26.3 Ru18 Sr53.7 O167'
_chemical_formula_structural
'Ba0.167 La0.549 Sr1.118 Ru0.375 Al0.291 O3.483'
_chemical_formula_sum
'Al13.984 Ba8 La26.424 O167.193 Ru18.02 Sr53.64'
_chemical_formula_weight         14333.15
_chemical_name_systematic
;
aluminium barium lanthanum ruthenium strontium oxide
;
_space_group_IT_number           196
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.1970(10)
_cell_length_b                   16.1970(10)
_cell_length_c                   16.1970(10)
_cell_measurement_temperature    298
_cell_volume                     4249.2(5)
_computing_cell_refinement
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_computing_data_collection       'described by Hoelzel <i>et al.</i> (2007)'
_computing_data_reduction        'described by Hoelzel <i>et al.</i> (2007)'
_computing_molecular_graphics    '[Please provide missing details]'
_computing_publication_material
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_computing_structure_refinement
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_computing_structure_solution    '[Please provide missing details]'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'powder diffractometer'
_diffrn_radiation_monochromator  Ge(551)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.548
_exptl_absorpt_coefficient_mu    0.009
_exptl_absorpt_correction_T_max  0.9466
_exptl_absorpt_correction_T_min  0.9451
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_exptl_crystal_density_diffrn    5.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6299
_pd_char_colour                  black
_pd_char_particle_morphology     'octahedral, SEM'
_pd_instr_location
;
Spodi diffractometer, FRM II, Garching, Munich, Germany'
;
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        151.90
_pd_meas_2theta_range_min        0.950
_pd_meas_number_of_points        3019
_pd_meas_scan_method             step
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        151.9
_pd_proc_2theta_range_min        6.0
_pd_proc_info_excluded_regions   '0.950 to 6.0 irregular bcgr'
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0539
_pd_proc_ls_prof_wR_expected     0.035
_pd_proc_ls_prof_wR_factor       0.0599
_pd_proc_wavelength              1.548
_pd_spec_mounting                'Vanadium can'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              35
_pd_spec_size_equat              7
_pd_spec_size_thick              7
_refine_ls_goodness_of_fit_all   4.65
_refine_ls_number_constraints    1
_refine_ls_number_parameters     61
_refine_ls_number_restraints     1
_refine_ls_shift/su_max          0.0494
_refine_ls_shift/su_mean         0.0077
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            fa3216.cif
_cod_data_source_block           I_NPD
_cod_database_code               2017640