Nonstoichiometry, Structure, and Electrical Properties of "SrPrO~3~"
Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.; Chemistry of Materials 17 (2005) 5146–5154; doi:10.1021/cm050895k

data_4000618
_publ_section_title
;
 Nonstoichiometry, Structure, and Electrical Properties of "SrPrO~3~"
;
_journal_coden_ASTM              CMATEX
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5146
_journal_page_last               5154
_journal_paper_doi               10.1021/cm050895k
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'O3 Pr Sr0.96'
_chemical_formula_weight         273.28
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2ab'
_space_group_name_H-M_alt        'P b n m'
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_audit_update_record
' 2004-05-27T08:50  Initial CIF as created by GSAS2CIF'
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_cell_angle_gamma                90.0
_cell_formula_units_Z            4
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_computing_structure_refinement  GSAS
_diffrn_radiation_probe          neutron
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_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2004-05-27T08:50|SRPRO300K_PBNM|z|a
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_pd_phase_name                   srpro3_80K
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_pd_proc_info_datetime           2004-05-27T08:50:30
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 14 terms.
 Shifted Chebyshev function of 1st kind
      1:    41.8185     2:   -6.66563     3:    12.5681     4:  -0.110839    
      5:    6.81339     6:   -1.20484     7:    3.67918     8:   -1.34492    
      9:    2.14340    10:  -0.583473    11:   0.805915    12:  -0.739334    
     13:   0.906507    14:  -0.445314    
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
;
 CW Profile function number 1 with   6 terms
 Profile coefficients for Simpson's rule integration of Gaussian function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 Cooper & Sayer, J. Appl. Cryst., 8, 615-618 (1975).
 Thomas, J. Appl. Cryst., 10, 12-13(1977).
 #1(U)    =  291.160 #2(V)    = -313.430 #3(W)    =  201.390
 #4(asym) =   2.2680 #5(F1)   =    0.000 #6(F2)   =    0.000
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
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_cod_data_source_file            cm050895ksi20050629_010556.cif
_cod_data_source_block           SRPRO300K_PBNM_publ
_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 (45 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000618
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