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_4341052
_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            'Ce0.5 Gd0.5 O1.75'
_chemical_formula_weight         176.68
_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                   10.90602(2)
_cell_length_b                   10.90602(2)
_cell_length_c                   10.90602(2)
_cell_measurement_temperature    673
_cell_volume                     1297.176(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      673
_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    31.59
_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        0.011638
_pd_meas_2theta_range_max        60.00000
_pd_meas_2theta_range_min        5.08300
_pd_meas_number_of_points        4721
_pd_meas_scan_method             step
_pd_prep_pressure                101
_pd_prep_temperature             1473
_pd_proc_2theta_range_inc        0.011638
_pd_proc_2theta_range_max        59.9832
_pd_proc_2theta_range_min        5.0662
_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        5.9948
_pd_proc_ls_prof_wR_expected     5.2604
_pd_proc_ls_prof_wR_factor       8.1838
_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   1.556
_refine_ls_number_parameters     84
_refine_ls_number_reflns         361
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.4092
_refine_ls_shift/su_max          0.08
_cod_data_source_file            ic5011242_si_002.cif
_cod_data_source_block           Gd50-673
_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        1297.175(4)
_cod_database_code               4341052
_pd_proc_ls_prof_cr_factor       12.0916
_pd_proc_ls_prof_cwr_factor      12.5341
_pd_proc_ls_prof_cwr_expected    8.0567
_pd_proc_ls_prof_chi2            2.4203
_pd_proc_ls_prof_echi2           2.5291