One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures
Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov; Solid State Sciences 71 (2017) 111–116; doi:10.1016/j.solidstatesciences.2017.07.010

data_1548783
_publ_section_title
;
 One disorder out of two orders: Synthesis and crystal structures of
 cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous
 disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived
 structures
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              111
_journal_page_last               116
_journal_paper_doi               10.1016/j.solidstatesciences.2017.07.010
_journal_volume                  71
_journal_year                    2017
_chemical_absolute_configuration .
_chemical_formula_sum            'F4 N2 Na O6 Pb3'
_chemical_formula_weight         844.6
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.04064(3)
_cell_length_b                   4.04064(3)
_cell_length_c                   14.39848(17)
_cell_measurement_temperature    293
_cell_volume                     235.081(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54051
_exptl_absorpt_coefficient_mu    103.905
_exptl_crystal_density_diffrn    5.9657
_exptl_crystal_F_000             355
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        120.006
_pd_meas_2theta_range_min        11.000
_pd_meas_number_of_points        5578
_pd_proc_2theta_range_max        120.006
_pd_proc_2theta_range_min        11
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0504
_pd_proc_ls_prof_wR_expected     0.0620
_pd_proc_ls_prof_wR_factor       0.0692
_refine_diff_density_max         1.35
_refine_diff_density_min         -1.09
_refine_ls_goodness_of_fit_all   1.12
_refine_ls_number_constraints    0
_refine_ls_number_parameters     33
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.0281
_refine_ls_shift/su_mean         0.0072
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0234
_refine_ls_wR_factor_gt          0.0234
_cod_data_source_file            PbNaOFNO3-3.cif
_cod_data_source_block           3_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_Hall     '-I 4;-2'
_cod_original_formula_sum        'F4 N2 Na1 O6 Pb3'
_cod_database_code               1548783