#------------------------------------------------------------------------------
#$Date: 2021-05-31 10:33:57 +0200 (lun 31 de may de 2021) $
#$Revision: 265628 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/29/1562989.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1562989
loop_
_publ_author_name
'Artini, Cristina'
'Costa, Giorgio A.'
'Pani, Marcella'
'Lausi, Andrea'
'Plaisier, Jasper'
_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_sum            'Ce O2'
_chemical_formula_weight         172.12
_chemical_name_common            'Cerium oxide'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   5.4073(1)
_cell_length_b                   5.4073(1)
_cell_length_c                   5.4073(1)
_cell_measurement_temperature    298
_cell_volume                     158.103(5)
_computing_structure_refinement  DBWS-9807a
_diffrn_ambient_temperature      298
_diffrn_detector                 'proportional detector'
_diffrn_measurement_device_type  'Panalytical PW1710 diffractometer'
_diffrn_measurement_method       '2θ in the range 4-90 deg'
_diffrn_radiation_probe          x-rays
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    218.35
_exptl_absorpt_correction_type   none
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90.00
_pd_meas_2theta_range_min        4.00
_pd_meas_number_of_points        4300
_pd_meas_scan_method             step
_pd_prep_pressure                101
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        90
_pd_proc_2theta_range_min        15
_pd_proc_ls_background_function  '6-coefficients polynomial function'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        3.84
_pd_proc_ls_prof_wR_expected     2.03
_pd_proc_ls_prof_wR_factor       6.69
_pd_spec_mounting                'packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              20
_pd_spec_size_thick              1
_refine_ls_number_parameters     17
_refine_ls_number_reflns         289
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.45
_cod_data_source_file            JSSC-2012-190-24.cif
_cod_data_source_block           C0
_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        158.104(9)
_cod_database_code               1562989
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_type_symbol
Ce 0. 0. 0. 0.00633 1 Uiso Ce
O 0.2500 0.2500 0.2500 0.23(1) 1 Uiso O
loop_
_atom_type_symbol
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
ce 21.16710 2.81219 19.76950 0.22684 11.85130 17.60830 3.33049 127.11300
1.86264 -0.56400 2.63200
'International Tables Vol. C (1991), Tables 6.1.1.4 and 6.1.1.5'
o 3.04850 13.27710 2.28680 5.70110 1.54630 0.32390 0.86700 32.90890 0.25080
0.00800 0.00600
'International Tables Vol. C (1991), Tables 6.1.1.4 and 6.1.1.5'
