Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct Synthesis and Reversible Dehydration of the Zincophosphate Mu-19
Simon-Masseron, Angélique; Paillaud, Jean-Louis; Patarin, Joël; Chemistry of Materials 15 (2003) 1000–1005; doi:10.1021/cm021330g

data_4001635
_publ_section_title
;
 Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct
 Synthesis and Reversible Dehydration of the Zincophosphate Mu-19
;
_journal_coden_ASTM              CMATEX
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1000
_journal_page_last               1005
_journal_paper_doi               10.1021/cm021330g
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'C5 H15 N O9 P2 Zn'
_chemical_formula_weight         360.49
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2002-10-08T11:32
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2002-10-08T11:32  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.42002(13)
_cell_length_b                   10.45229(17)
_cell_length_c                   11.62209(17)
_cell_volume                     1265.80(3)
_computing_structure_refinement  GSAS
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.540598
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id
2002-10-08T11:32|ZNP8|Jean-Louis_PAILLAUD|Stoe_STADI-P
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
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_pd_meas_2theta_range_max        71.98
_pd_meas_2theta_range_min        10.02
_pd_meas_number_of_points        3099
_pd_phase_name                   'Zn4P8O40N4C20H68 (A. SIMON)'
_pd_proc_2theta_range_inc        0.02
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_pd_proc_2theta_range_min        10.02
_pd_proc_info_datetime           2002-10-08T11:32:14
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    1084.75     2:   -433.620     3:    19.2652     4:    136.402    
      5:   -75.7733     6:   -27.6883     7:    72.4232     8:   -44.8840    
      9:   -9.78966    10:    20.3411    11:   -13.3295    12:   0.559361    
;
_pd_proc_ls_peak_cutoff          0.00020
_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 0.0002 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0378
_pd_proc_ls_prof_wR_expected     0.0206
_pd_proc_ls_prof_wR_factor       0.0496
_pd_proc_number_of_points        3099
_pd_spec_mounting                ' ?'
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_refine_ls_matrix_type           full
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_reflns_limit_h_max              8
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_reflns_limit_l_max              8
_reflns_limit_l_min              0
_reflns_number_observed          362
_cod_data_source_file            cm021330g.cif
_cod_data_source_block
'CM021330G_Manuscript_Title_:_Mu-21: a three-dimensional microporous zincophosphate obtained by direct synthesis and reversible dehydration of the zincophosphate Mu-19'
_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 (290
times).

'_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 (62 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_cell_volume        1265.79749
_cod_database_code               4001635
_gsas_exptl_extinct_corr_t_min   1.00000
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