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_1548781
_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            'F2 N Na0.985 O3 Pb1.015'
_chemical_formula_weight         332.9
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.57374(6)
_cell_length_b                   14.11358(16)
_cell_length_c                   5.63458(7)
_cell_measurement_temperature    293
_cell_volume                     443.247(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    75.986
_exptl_crystal_density_diffrn    4.9892
_exptl_crystal_F_000             572
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120.000
_pd_meas_2theta_range_min        10.000
_pd_meas_number_of_points        5501
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        120
_pd_proc_2theta_range_min        10
_pd_proc_ls_background_function  '13 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0536
_pd_proc_ls_prof_wR_expected     0.0347
_pd_proc_ls_prof_wR_factor       0.0749
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.66
_refine_ls_goodness_of_fit_all   2.16
_refine_ls_number_constraints    0
_refine_ls_number_parameters     37
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0115
_refine_ls_R_factor_gt           0.0115
_refine_ls_shift/su_max          0.0440
_refine_ls_shift/su_mean         0.0057
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0159
_refine_ls_wR_factor_gt          0.0159
_cod_data_source_file            PbNaOFNO3-1.cif
_cod_data_source_block           1_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_cell_volume        443.247(8)
_cod_original_sg_symbol_Hall     '-C -2x;-2yc;-2zc'
_cod_original_formula_sum        'F2 N1 Na0.985 O3 Pb1.015'
_cod_database_code               1548781