Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes
Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda; J. Mater. Chem. 14 (2004) 1142–1149; doi:10.1039/b315257j

data_7204804
_publ_section_title
;
 Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes
;
_journal_issue                   7
_journal_name_full               'J. Mater. Chem.'
_journal_page_first              1142
_journal_page_last               1149
_journal_paper_doi               10.1039/b315257j
_journal_volume                  14
_journal_year                    2004
_chemical_formula_sum            'La1.59 O4.36 Si'
_chemical_formula_weight         318.92
_chemical_name_systematic        ' ?'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_audit_creation_date             2003-09-18T13:17
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2003-09-18T13:17  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   9.72566(4)
_cell_length_b                   9.72566
_cell_length_c                   7.18636(4)
_cell_volume                     588.678(4)
_computing_structure_refinement  GSAS
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
No correction is applied.
;
_pd_block_id                     2003-09-18T13:17|LA955SI_RT||Overall
_pd_calc_method                  'Rietveld Refinement'
_pd_phase_name                   La9.55Si6O26.325
_pd_proc_info_datetime           2003-09-18T13:17:02
_pd_proc_ls_background_function
;   GSAS Background function number 7 with 36 terms.
Linear interpolation
1:    262.822     2:    179.214     3:    212.804     4:    185.495
5:    136.456     6:    169.595     7:    115.501     8:    109.212
9:    113.082    10:    124.517    11:    119.154    12:    144.085
13:    143.151    14:    168.197    15:    113.914    16:    106.643
17:    96.9342    18:    107.919    19:    103.212    20:    90.2960
21:    87.0013    22:    82.6587    23:    87.3404    24:    104.939
25:    101.409    26:    90.2478    27:    95.1814    28:    95.5179
29:    96.0519    30:    85.8099    31:    80.6924    32:    92.1068
33:    88.9361    34:    93.6357    35:    93.0526    36:    94.8351
;
_pd_proc_ls_prof_R_factor        0.0282
_pd_proc_ls_prof_wR_expected     0.0461
_pd_proc_ls_prof_wR_factor       0.0318
_refine_ls_goodness_of_fit_all   91.35
_refine_ls_matrix_type           full
_refine_ls_number_parameters     116
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.03241
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            b315257j.txt
_cod_data_source_block           LA955SI_RT_publ
_cod_original_cell_volume        588.67871
_cod_database_code               7204804
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000