Dimensional reduction in zirconium phosphate; from layers to ribbons to chains
Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo; Journal of Materials Chemistry 13 (2003) 1215–; doi:10.1039/b211004k

data_7204568
_publ_section_title
;
 Dimensional reduction in zirconium phosphate; from layers to ribbons
 to chains
;
_journal_issue                   5
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1215
_journal_paper_doi               10.1039/b211004k
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'F H13 N3 O8.5 P2 Zr'
_chemical_formula_weight         363.22
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
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_computing_structure_refinement  GSAS
_computing_structure_solution    'EXPO (A. Altomare, et al., 1995)'
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
No correction is applied.
;
_pd_calc_method                  'Rietveld Refinement'
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_pd_proc_info_datetime           2002-11-04T00:15:35
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 20 terms.
Shifted Chebyshev function of 1st kind
1:    592.049     2:   -14.5746     3:    114.343     4:    70.1465    
5:   -25.9923     6:   -13.9345     7:    8.52756     8:   -20.7512    
9:    3.71931    10:   -15.3227    11:   -6.56506    12:    30.4468    
13:   -46.6884    14:    18.0580    15:   -26.6332    16:   -18.3998    
17:    9.70494    18:   -12.8170    19:   -8.86812    20:   -1.94432    
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_pref_orient_corr
;   March-Dollase
AXIS  1 Ratio=   0.98081  h= 0.000  k= 0.000  l= 1.000
Prefered orientation correction range: Min=   0.97135, Max=   1.05986
;
_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 0.0010 times the peak
Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.077
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; 
Aluminium sample holder with an oriented 
quartz crystal underneath
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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 (32
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 (25 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1120.43(6)
_cod_original_sg_symbol_Hall     P_2ac_2ab
_cod_database_code               7204568
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000