Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics
Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold; Journal of Materials Chemistry C 2 (2014) 3345–3360; doi:10.1039/C3TC32345E

data_7233674
_publ_section_title
;
 Strain driven structural phase transformations in dysprosium doped BiFeO3
 ceramics
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              3345
_journal_page_last               3360
_journal_paper_doi               10.1039/C3TC32345E
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'Bi0.94 Dy0.06 Fe O3'
_chemical_formula_weight         310.04
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 124.9747(15)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.64469(28)
_cell_length_b                   5.57677(17)
_cell_length_c                   5.63227(16)
_cell_volume                     248.229(13)
_computing_structure_refinement  GSAS
_diffrn_radiation_probe          neutron
_exptl_absorpt_correction_T_max  1.06794
_exptl_absorpt_correction_T_min  1.01762
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 1
 Linear absorption correction
Term =    -0.13747E-01
Correction is refined.
;
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_fixed            168.33
_pd_meas_number_of_points        4610
_pd_phase_name                   'from D:/Work/Dy-BFO-HRPD/6 %/RT/BFO-R3c.cif'
_pd_proc_info_datetime           2014-01-02T15:39:08
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 18 terms.
 Shifted Chebyshev function of 1st kind
      1:   0.513698     2:   4.095950E-02 3:   1.180060E-02 4:  -6.149140E-02
      5:  -2.913460E-02 6:  -4.738190E-02 7:  -3.270920E-03 8:  -2.538290E-02
      9:   5.099920E-0310:  -1.143180E-0211:   1.979530E-0212:  -2.615310E-03
     13:  -4.720370E-0414:  -3.209870E-0215:  -2.438260E-0216:  -3.814980E-02
     17:  -2.487720E-0218:  -3.112370E-02
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
 TOF Profile function number 3 with  21 terms
 Profile coefficients for exponential pseudovoigt
  convolution Von Dreele, 1990 (unpublished)
 #1 (alp  ) =   0.1739 #2 (bet-0) = 0.024909 #3 (bet-1) = 0.007585
 #4 (sig-0) =      0.0 #5 (sig-1) =   1616.3 #6 (sig-2) =    217.7
 #7 (gam-0) =     0.00 #8 (gam-1) =     0.00 #9 (gam-2) =     0.00
 #10(gsf  ) =     0.00 #11(g1ec ) =     0.00 #12(g2ec ) =     0.00
 #13(rstr ) =    0.000 #14(rsta ) =    0.000 #15(rsca ) =    0.000
 #16(L11)   =    1.602 #17(L22)   =    1.293 #18(L33)   =    4.446
 #19(L12)   =    0.335 #20(L13)   =    2.422 #21(L23)   =   -1.111
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0800
_pd_proc_ls_prof_wR_expected     0.0279
_pd_proc_ls_prof_wR_factor       0.0703
_pd_proc_number_of_points        4610
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.53
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.04131
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.650
_reflns_d_resolution_low         2.404
_reflns_limit_h_max              15
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              7
_reflns_limit_l_min              -8
_reflns_number_total             473
_cod_data_source_file            J-Mater-Chem-C-2014-2-3345-1.cif
_cod_data_source_block           6PCRT-CC-FULL-2_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' 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 (90 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' 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 (52 times).

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        248.229(11)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7233674
_gsas_exptl_extinct_corr_t_min   0.83868
_gsas_exptl_extinct_corr_t_max   0.99999