High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).
Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.; Inorganic chemistry 53 (2014) 10140–10149; doi:10.1021/ic5011242

data_4341050
_publ_section_title
;
 High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray
 Diffraction (673 K &#x2264; T &#x2264; 1073 K).
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10140
_journal_page_last               10149
_journal_paper_doi               10.1021/ic5011242
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Ce0.7 Gd0.3 O1.85'
_chemical_formula_weight         174.86
_chemical_name_common            'Ce-Gd mixed oxide'
_space_group_IT_number           206
_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                   10.94590(2)
_cell_length_b                   10.94590(2)
_cell_length_c                   10.94590(2)
_cell_measurement_temperature    973
_cell_volume                     1311.458(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      973
_diffrn_detector                 'fast scintillator detector'
_diffrn_measurement_device_type  'Huber 4-axes X-ray diffractometer'
_diffrn_measurement_method       '2\q in the range 5-60 deg'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6890
_exptl_absorpt_coefficient_mu    29.22
_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        0.011535
_pd_meas_2theta_range_max        60.00000
_pd_meas_2theta_range_min        5.08190
_pd_meas_number_of_points        4763
_pd_meas_scan_method             step
_pd_prep_pressure                101
_pd_prep_temperature             1473
_pd_proc_2theta_range_inc        0.011535
_pd_proc_2theta_range_max        59.9822
_pd_proc_2theta_range_min        5.0641
_pd_proc_ls_background_function
;
linear interpolation between a set of background points with refinable heights
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        5.2314
_pd_proc_ls_prof_wR_expected     6.0309
_pd_proc_ls_prof_wR_factor       7.0271
_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_goodness_of_fit_all   1.165
_refine_ls_number_parameters     85
_refine_ls_number_reflns         365
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            1.3799
_refine_ls_shift/su_max          0.005
_cod_data_source_file            ic5011242_si_002.cif
_cod_data_source_block           Gd30-973
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4341042--4341061.cif.
;
_cod_original_cell_volume        1311.458(3)
_cod_database_code               4341050
_pd_proc_ls_prof_cr_factor       10.9381
_pd_proc_ls_prof_cwr_factor      10.6661
_pd_proc_ls_prof_cwr_expected    9.1540
_pd_proc_ls_prof_chi2            1.3576
_pd_proc_ls_prof_echi2           1.3918