Synthesis and Crystal Structure of Thorium Bis(hydrogenphosphate) Monohydrate
Miguel A. Salvadó; Pilar Pertierra; Germán R. Castro; Camino Trobajo; José R. García; Inorganic Chemistry 47 (2008) 1246–1248; doi:10.1021/ic702497x

data_4304889
_publ_section_title
;
Synthesis and Crystal Structure of Thorium Bis(hydrogenphosphate)
Monohydrate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1246
_journal_page_last               1248
_journal_paper_doi               10.1021/ic702497x
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'O9 P2 Th'
_chemical_formula_weight         437.98
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_audit_update_record
' 2007-10-05T11:39  Initial CIF as created by GSAS2CIF'
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_computing_structure_refinement  GSAS
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_diffrn_radiation_probe          x-ray
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        59.98
_pd_meas_2theta_range_min        3.0
_pd_proc_2theta_range_inc        0.02
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_pd_proc_2theta_range_min        2.96991
_pd_proc_info_datetime           2007-10-05T11:39:04
_pd_proc_ls_background_function
;   GSAS Background function number 2 with 25 terms.
 Cosine Fourier series
      1:   -4731.92     2:    5587.14     3:   -3442.52     4:    8768.56    
      5:   -6606.76     6:   -7077.28     7:    13412.1     8:   -5806.20    
      9:    1270.60    10:   -6566.20    11:    8350.11    12:   -1517.88    
     13:   -2157.68    14:   -2101.89    15:    4130.65    16:    1665.21    
     17:   -6580.13    18:    2850.36    19:    4340.62    20:   -5979.86    
     21:    1908.04    22:    1755.85    23:   -2069.24    24:    869.117    
     25:   -136.081    
;
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Peak tails are ignored  where the intensity is below 0.0100 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0867
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_refine_ls_shift/su_max          0.04
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_cod_data_source_file            ic702497x-file002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (39
times).

'_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 (32 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1507.15(12)
_cod_database_code               4304889