Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.
Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee; Dalton transactions (Cambridge, England : 2003) 43 (2014) 16830–16837; doi:10.1039/c4dt02335h

data_7032564
_publ_section_title
;
 Transformation of a layered perovskite to a defect perovskite via
 cooperative Li-insertion and O/N substitution.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16830
_journal_page_last               16837
_journal_paper_doi               10.1039/c4dt02335h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'Li1.08 N2.32 O7.28 Sr2.92 Ta2.92'
_chemical_formula_weight         940.68
_chemical_name_systematic        ' ?'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
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_audit_update_record
' 2014-07-31T15:02  Initial CIF as created by GSAS2CIF'
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_cell_length_c                   8.06693(20)
_cell_volume                     261.208(7)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.548
_diffrn_radiation_probe          x-ray
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_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2014-07-31T15:02|LI03CIF|Young-Il_Kim|X-ray_Cu
_pd_calc_method                  'Rietveld Refinement'
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_pd_phase_name                   I4/mcm
_pd_proc_info_datetime           2014-07-31T15:02:28
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 7 with 16 terms.
 Linear interpolation
      1:    170.367     2:    137.035     3:    110.442     4:    112.839    
      5:    85.8520     6:    115.476     7:    65.6037     8:    79.2749    
      9:    76.9371    10:    72.6861    11:    82.5566    12:    75.0286    
     13:    97.4312    14:    106.894    15:    120.680    16:    124.371    
;
_pd_proc_ls_peak_cutoff          0.00050
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=     1.012 Frac     0.500  h= 0.000  k= 0.000  l= 1.000
 AXIS  2 Ratio=     0.693 Frac     0.500  h= 1.000  k= 0.000  l= 0.000
 Prefered orientation correction range: Min=   0.77343, Max=   1.40436
;
_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 0.0005 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0677
_pd_proc_ls_prof_wR_expected     0.0528
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_pd_spec_mounting                ' ?'
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_reflns_limit_h_min              0
_reflns_limit_k_max              5
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
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_cod_data_source_file            c4dt02335h4.cif
_cod_data_source_block           LI03CIF_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (118
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (792
times).

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

 Adding full bibliography for 7032562--7032565.cif.
;
_cod_database_code               7032564
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000