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_4333789
_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 Co2.81 C0.19 O18.14'
_chemical_formula_sum            'C0.36 Co5.64 La1.52 O19.14 Sr6.48'
_chemical_formula_weight         1421.85
_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                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            1
_cell_length_a                   3.83187(7)
_cell_length_b                   3.83187(7)
_cell_length_c                   28.0582(7)
_cell_measurement_temperature    295
_cell_volume                     411.985(15)
_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    5.731
_pd_block_diffractogram_id       rp3srlaPo2
_pd_calc_method                  '   Rietveld Refinement'
_pd_char_colour                  black
_pd_meas_2theta_range_inc        0.050021
_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        0.050021
_pd_proc_2theta_range_max        129.9423
_pd_proc_2theta_range_min        10.2923
_pd_proc_ls_background_function  '   FullProf Background function number  '
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_prof_R_factor        3.4024
_pd_proc_ls_prof_wR_expected     3.2324
_pd_proc_ls_prof_wR_factor       4.4345
_pd_proc_wavelength              1.558000
_refine_ls_number_parameters     33
_refine_ls_number_reflns         152
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.8181
_refine_ls_shift/su_max          .01
_cod_data_source_file            ic3017694_si_002.cif
_cod_data_source_block           rp3srlaPo2
_cod_depositor_comments          'Adding Fobs data.'
_cod_original_cell_volume        411.986(14)
_cod_database_code               4333789
_cod_database_fobs_code          4333789
_pd_proc_ls_prof_cr_factor       12.1258
_pd_proc_ls_prof_cwr_factor      10.8838
_pd_proc_ls_prof_cwr_expected    7.9336
_pd_proc_ls_prof_chi2            1.8820
_pd_proc_ls_prof_echi2           1.8820