Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route
Go, Yong Bok; Jacobson, Allan J.; Chemistry of Materials 19 (2007) 4702–; doi:10.1021/cm071310k

data_4001400
_publ_section_title
;
 Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a
 Low-Temperature Solution Route
;
_journal_issue                   19
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4702
_journal_paper_doi               10.1021/cm071310k
_journal_volume                  19
_journal_year                    2007
_chemical_formula_analytical     'Ce0.9 Gd0.1 C H O4'
_chemical_formula_moiety         'Ce0.9 Gd0.1 CO3 OH'
_chemical_formula_sum            'C H Ce0.9 Gd0.1 O4'
_chemical_formula_weight         217.84
_chemical_name_systematic
; 
cerium gadolinium carbonato hydroxide
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.5501(2)
_cell_length_b                   7.3054(2)
_cell_length_c                   5.0045(1)
_cell_measurement_temperature    298
_cell_volume                     312.591(13)
_computing_structure_refinement  GSAS
_computing_structure_solution
;
FOX 1.2: V. Favre-Nicolin, R. J. Cerny, 
Appl. Cryst. 2002, 35, 734
;
_diffrn_ambient_temperature      298
_diffrn_detector_type            'germanium solid-state detector'
_diffrn_measurement_device_type  'Scintag XDS 2000 diffractometer'
_diffrn_radiation_monochromator  CuK\a
_diffrn_radiation_polarisn_ratio 0.7
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_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.
;
_exptl_crystal_density_diffrn    4.650
_exptl_crystal_F_000             390.4
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  colorless
_pd_char_particle_morphology     'cubic block'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        60.00
_pd_meas_2theta_range_min        5.00
_pd_meas_number_of_points        2751
_pd_meas_scan_method             step
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        60.00
_pd_proc_2theta_range_min        10.00
_pd_proc_info_datetime           2007-04-12T21:34:49
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  8 terms.
 Shifted Chebyshev function of 1st kind
      1:    120.705     2:   -88.6667     3:    39.2980     4:   -22.6535    
      5:    7.72394     6:   -3.16833     7:    6.49786     8:   -4.51295    
;
_pd_proc_ls_peak_cutoff          0.02000
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Peak tails are ignored  where the intensity is below 0.0200 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0643
_pd_proc_ls_prof_wR_expected     0.0534
_pd_proc_ls_prof_wR_factor       0.0913
_pd_proc_number_of_points        2751
_pd_spec_mounting                'amorphous stainless steel sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              '10 mm'
_pd_spec_size_thick              '0.6 mm'
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.73
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     31
_refine_ls_number_restraints     4
_refine_ls_R_Fsqd_factor         0.03063
_refine_ls_shift/su_max          0.2
_refine_ls_shift/su_mean         0.76
_reflns_d_resolution_high        1.549
_reflns_d_resolution_low         5.554
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              4
_reflns_limit_k_min              0
_reflns_limit_l_max              3
_reflns_limit_l_min              0
_reflns_number_total             128
_cod_data_source_file            cm071310ksi20070514_012815.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (68
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (108 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        312.59(2)
_cod_original_sg_symbol_Hall     'P 21 21 21'
_cod_original_formula_sum        'C H Ce0.90 Gd0.10 O4'
_cod_database_code               4001400
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000