NaAl(SO<sub>4</sub>)F<sub>2</sub>: a single-layer two-dimensional perovskite.
Le Bail, Armel; Lossius, Lorentz Petter; Finnestad, Jone; Acta crystallographica. Section C, Structural chemistry 81 (2025) –; doi:10.1107/S2053229625004280

data_2312854
_publ_section_title
;
 NaAl(SO<sub>4</sub>)F<sub>2</sub>: a single-layer two-dimensional
 perovskite.
;
_journal_coeditor_code           VP3044
_journal_issue                   6
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229625004280
_journal_volume                  81
_journal_year                    2025
_chemical_formula_moiety         'Al F2 O4 S, (Na)'
_chemical_formula_sum            'Al F2 Na O4 S'
_chemical_formula_weight         184.031
_chemical_name_common            'sodium aluminium difluorosulfate'
_space_group_IT_number           138
_space_group_name_Hall           '-P 4ac 2ac'
_space_group_name_H-M_alt        'P 42/n c m :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   4.9196(3)
_cell_length_b                   4.9196(3)
_cell_length_c                   17.8704(9)
_cell_measurement_temperature    293
_cell_volume                     432.51(4)
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_structure_refinement
;
FULLPROF (Rodr\'iguez-Carvajal, 1993)
;
_computing_structure_solution
;
McMaille (Le Bail, 2004), SHELXS_97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293
_diffrn_detector                 X-celerator
_diffrn_measurement_device_type  CubiX-PRO
_diffrn_measurement_method       diffractometer
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   X-ray
_exptl_absorpt_coefficient_mu    9.750
_exptl_crystal_density_diffrn    2.826
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             360
_pd_block_id                     NaAlSO4F2
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_char_particle_morphology     'powder of platelets'
_pd_instr_location               Norway
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        87.99
_pd_meas_2theta_range_min        7.01000
_pd_meas_number_of_points        4050
_pd_meas_scan_method             step
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        88.0238
_pd_proc_2theta_range_min        7.0438
_pd_proc_ls_background_function  manual
_pd_proc_ls_pref_orient_corr     '(001) direction, p=0.803(3)'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        11.0661
_pd_proc_ls_prof_wR_expected     4.4345
_pd_proc_ls_prof_wR_factor       14.4983
_pd_proc_wavelength              1.540560
_pd_spec_mounting                'plate sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   3.269
_refine_ls_number_parameters     49
_refine_ls_number_reflns         301
_refine_ls_number_restraints     0
_cod_data_source_file            vp3044sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               2312854
_cod_database_fobs_code 2312854