Large Oxygen Nonstoichiometry in La0.77Sr3.23Co2.75C0.25O8.40+δ Oxide (δ = 0, 1.3) Related to n= 3 RP Series
A. Demont; S. Hébert; J. Höwing; Y. Bréard; D. Pelloquin; Inorganic Chemistry 52 (2013) 1265–1274; doi:10.1021/ic3017694

data_4333788
_publ_contact_author_address
;
      Laboratoire CRISMAT
      6 Boulevard du Mar\'echal Juin
      14050 CAEN CEDEX 
      FRANCE
;
_publ_contact_author_email       antoine.demont@univ-rennes1.fr
_publ_contact_author_name        'Antoine Demont'
_publ_contact_author_phone       +33(0)223235875
_publ_section_title
;
 Large Oxygen Nonstoichiometry in La0.77Sr3.23Co2.75C0.25O8.40+\d Oxide
 (\d = 0, 1.3) Related to n= 3 RP Series
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1265
_journal_page_last               1274
_journal_paper_doi               10.1021/ic3017694
_journal_volume                  52
_journal_year                    2013
_chemical_formula_iupac          'Sr3.24 La0.76 Co2.757 C0.243 O8.3796'
_chemical_formula_sum            'C0.49 Co5.51 La1.52 O16.76 Sr6.48'
_chemical_formula_weight         1377.86
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.83994(10)
_cell_length_b                   3.83994(10)
_cell_length_c                   28.6923(11)
_cell_measurement_temperature    295
_cell_volume                     423.07(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.558
_diffrn_source                   'nuclear reactor'
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
'D. Schmitt and B. Ouladdiaf, J. Appl. Cryst.31 (1998)620'
_exptl_crystal_density_diffrn    5.408
_pd_block_diffractogram_id       rp3srla
_pd_calc_method                  '   Rietveld Refinement'
_pd_char_colour                  black
_pd_meas_2theta_range_inc        0.050024
_pd_meas_2theta_range_max        129.95000
_pd_meas_2theta_range_min        10.30000
_pd_meas_number_of_points        2394
_pd_prep_temperature             295
_pd_proc_2theta_range_inc        0.050000
_pd_proc_2theta_range_max        129.9500
_pd_proc_2theta_range_min        10.3000
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_prof_R_factor        3.5546
_pd_proc_ls_prof_wR_expected     4.0757
_pd_proc_ls_prof_wR_factor       4.6092
_pd_proc_wavelength              1.558000
_refine_ls_number_parameters     35
_refine_ls_number_reflns         159
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.8212
_refine_ls_shift/su_max          .01
_cod_data_source_file            ic3017694_si_001.cif
_cod_data_source_block           rp3
_cod_depositor_comments          'Adding Fobs data.'
_cod_database_code               4333788
_cod_database_fobs_code          4333788
_pd_proc_ls_prof_cr_factor       14.7624
_pd_proc_ls_prof_cwr_factor      13.3129
_pd_proc_ls_prof_cwr_expected    11.7721
_pd_proc_ls_prof_chi2            1.2789
_pd_proc_ls_prof_echi2           1.2789