First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor
Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi; CrystEngComm  (2020) –; doi:10.1039/D0CE00644K

data_7240448
_publ_section_title
;
 First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring
 of Lamellar Aluminophosphate Precursor
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00644K
_journal_year                    2020
_chemical_formula_moiety         '2(Al3 O16 P4), 6(O1.48), 0.50(O), 6(K)'
_chemical_formula_sum            'Al6 K6 O41.38 P8'
_chemical_formula_weight         1306.32
_chemical_name_common            K-PreAFY
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_audit_update_record
;
2020-03-03 deposited with the CCDC.	2020-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.925(1)
_cell_length_b                   12.925(1)
_cell_length_c                   7.9339(7)
_cell_measurement_temperature    300
_cell_volume                     1147.83(16)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    'EXPO-2014 (Altomare et al., 2013)'
_diffrn_ambient_temperature      300
_diffrn_detector                 'Multiple Si microstrip detectors'
_diffrn_detector_type            'MYTHEN detector'
_diffrn_measurement_device_type  Debye-Scherrer
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.79940
_diffrn_source                   'Synchrotron radiation'
_exptl_crystal_density_diffrn    1.9175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       powder
_exptl_crystal_F_000             661.95
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  colorless
_pd_instr_location               ' BL02B2, SPring-8 (Japan) '
_pd_meas_2theta_range_inc        0.0060
_pd_meas_2theta_range_max        78.2100
_pd_meas_2theta_range_min        2.1000
_pd_meas_number_of_points        12686
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0060
_pd_proc_2theta_range_max        39.9960
_pd_proc_2theta_range_min        3.0060
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.05092
_pd_proc_ls_prof_wR_expected     0.01089
_pd_proc_ls_prof_wR_factor       0.07065
_pd_spec_mounting                ' 'Lindemann glass capillary''
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20.0
_pd_spec_size_equat              0.05
_pd_spec_size_thick              0.05
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   6.4863
_refine_ls_matrix_type           full
_refine_ls_number_constraints    8
_refine_ls_number_parameters     68
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.00859
_refine_ls_R_Fsqd_factor         0.00851
_refine_ls_R_I_factor            0.01792
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            d0ce00644k2.cif
_cod_data_source_block           KPreAFY
_cod_original_cell_volume        1147.8(2)
_cod_database_code               7240448