Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron X-ray diffraction
Artini, Cristina; Costa, Giorgio A.; Pani, Marcella; Lausi, Andrea; Plaisier, Jasper; Journal of Solid State Chemistry 190 (2012) 24–28; doi:10.1016/j.jssc.2012.01.056

data_1562995
_publ_section_title
;
 Structural characterization of the CeO2/Gd2O3 mixed system by synchrotron
 X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              24
_journal_page_last               28
_journal_paper_doi               10.1016/j.jssc.2012.01.056
_journal_volume                  190
_journal_year                    2012
_chemical_formula_moiety         '0.4(Ce O2), 0.3(Gd2 O3)'
_chemical_formula_sum            'Ce0.4 Gd0.6 O1.7'
_chemical_formula_weight         177.60
_chemical_name_common            'Ce-Gd mixed oxide'
_space_group_IT_number           206
_space_group_name_Hall           '-I 2b 2c 3'
_space_group_name_H-M_alt        'I a -3'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            32
_cell_length_a                   10.8647(1)
_cell_length_b                   10.8647(1)
_cell_length_c                   10.8647(1)
_cell_measurement_temperature    298
_cell_volume                     1282.49(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector                 'fast scintillator detector'
_diffrn_measurement_device_type  'Huber 4-axes X-ray diffractometer'
_diffrn_measurement_method       '2\q in the range 5-55 deg'
_diffrn_radiation_probe          x-rays
_diffrn_radiation_wavelength     0.6890
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    32.82
_exptl_absorpt_correction_type   none
_pd_char_colour                  white
_pd_instr_location
;
 powder diffraction beamline (MCX) of the Elettra synchrotron radiation 
 facility located in Trieste, Italy
;
_pd_meas_2theta_range_inc        0.006055
_pd_meas_2theta_range_max        55.00000
_pd_meas_2theta_range_min        5.04360
_pd_meas_number_of_points        8253
_pd_meas_scan_method             step
_pd_prep_pressure                101
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.006055
_pd_proc_2theta_range_max        54.9815
_pd_proc_2theta_range_min        5.0251
_pd_proc_ls_background_function  '6-coefficients polynomial function'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        11.4333
_pd_proc_ls_prof_wR_expected     12.0686
_pd_proc_ls_prof_wR_factor       16.6978
_pd_proc_wavelength              0.689000
_pd_spec_mounting
'borosilicate capillary tube with inner diameter of 0.5 mm'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              0.5
_refine_ls_number_parameters     19
_refine_ls_number_reflns         289
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.9070
_cod_data_source_file            JSSC-2012-190-24.cif
_cod_data_source_block           C6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1282.50(2)
_cod_original_formula_sum        'Ce0.4 Gd0.6 O1.70'
_cod_database_code               1562995
_pd_proc_ls_prof_cr_factor       18.1359
_pd_proc_ls_prof_cwr_factor      22.5799
_pd_proc_ls_prof_cwr_expected    16.3200
_pd_proc_ls_prof_chi2            1.9143
_pd_proc_ls_prof_echi2           1.9532