#------------------------------------------------------------------------------
#$Date: 2020-03-27 05:50:20 +0200 (Fri, 27 Mar 2020) $
#$Revision: 249769 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/02/7240208.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7240208
loop_
_publ_author_name
'Hao, Yucheng'
'Pan, Yang'
'Lin, Yuan'
'He, Linbo'
'Ge, Guangjie'
'Ruan, Yu'
'Zhou, Haida'
'Xue, Yang'
'Koirala, Kisan'
_publ_section_title
;
 Highly Porous Aluminophosphates with Unique Three Dimensional Open
 Framework Structures from Mild Hydrothermal Syntheses
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00075B
_journal_year                    2020
_chemical_formula_sum            'Al H Na O5 P'
_chemical_formula_weight         161.94
_chemical_name_systematic        'b-H Al Na O5 P'
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-18 deposited with the CCDC.	2020-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1977(2)
_cell_length_b                   6.1977(2)
_cell_length_c                   10.3826(9)
_cell_measurement_reflns_used    513
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6750
_cell_measurement_theta_min      3.8210
_cell_volume                     398.81(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.800
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.800
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            629
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.800
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.730
_diffrn_reflns_theta_min         3.829
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94706
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.680
_exptl_crystal_description       block
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.007
_refine_diff_density_min         -1.136
_refine_diff_density_rms         0.274
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.368
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     25
_refine_ls_number_reflns         160
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.325
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0752P)²+9.9917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1846
_refine_ls_wR_factor_ref         0.1856
_reflns_Friedel_coverage         0.000
_reflns_number_gt                153
_reflns_number_total             160
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00075b2.cif
_cod_data_source_block           b
_cod_original_formula_sum        'H Al Na O5 P'
_cod_database_code               7240208
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.5000 0.0000 0.2500 0.0055(10) Uani 1 8 d S T P . .
Al1 Al 0.5000 0.5000 0.3204(4) 0.0086(11) Uani 1 8 d S T P . .
O1 O 0.5000 0.5000 0.5000 0.0011(19) Uani 1 16 d S TU P . .
O2 O 0.5000 0.5000 0.1447(9) 0.0031(18) Uani 1 8 d S TU P . .
O3 O 0.5000 0.1975(8) 0.3380(5) 0.0038(12) Uani 0.874 2 d S TU P . .
Na1 Na 0.7831(11) 0.2169(11) 0.5000 0.012(2) Uani 0.4 4 d S TU P . .
Na2 Na 1.0000 0.285(6) 0.5000 0.007(7) Uani 0.1 4 d S TU P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 P1 O3 106.5(4) 28_545 27 ?
O3 P1 O3 110.97(19) 28_545 2_655 ?
O3 P1 O3 110.97(19) 27 2_655 ?
O3 P1 O3 110.97(19) 28_545 . ?
O3 P1 O3 110.97(19) 27 . ?
O3 P1 O3 106.5(4) 2_655 . ?
O3 P1 Na2 153.9(7) 28_545 3_645 ?
O3 P1 Na2 99.6(7) 27 3_645 ?
O3 P1 Na2 57.8(3) 2_655 3_645 ?
O3 P1 Na2 57.8(3) . 3_645 ?
O3 P1 Na2 57.8(3) 28_545 9_444 ?
O3 P1 Na2 57.8(3) 27 9_444 ?
O3 P1 Na2 99.6(7) 2_655 9_444 ?
O3 P1 Na2 153.9(7) . 9_444 ?
Na2 P1 Na2 142.3(8) 3_645 9_444 ?
O3 P1 Na2 99.6(7) 28_545 19_566 ?
O3 P1 Na2 153.9(7) 27 19_566 ?
O3 P1 Na2 57.8(3) 2_655 19_566 ?
O3 P1 Na2 57.8(3) . 19_566 ?
Na2 P1 Na2 54.4(13) 3_645 19_566 ?
Na2 P1 Na2 142.3(9) 9_444 19_566 ?
O3 P1 Na2 57.8(3) 28_545 25_655 ?
O3 P1 Na2 57.8(3) 27 25_655 ?
O3 P1 Na2 153.9(7) 2_655 25_655 ?
O3 P1 Na2 99.6(7) . 25_655 ?
Na2 P1 Na2 142.3(9) 3_645 25_655 ?
Na2 P1 Na2 54.4(13) 9_444 25_655 ?
Na2 P1 Na2 142.3(8) 19_566 25_655 ?
O3 P1 Na1 150.2(2) 28_545 . ?
O3 P1 Na1 92.47(19) 27 . ?
O3 P1 Na1 81.98(18) 2_655 . ?
O3 P1 Na1 39.5(2) . . ?
Na2 P1 Na1 24.2(2) 3_645 . ?
Na2 P1 Na1 149.02(13) 9_444 . ?
Na2 P1 Na1 63.8(6) 19_566 . ?
Na2 P1 Na1 119.8(5) 25_655 . ?
O3 P1 Na1 39.5(2) 28_545 9_444 ?
O3 P1 Na1 81.98(18) 27 9_444 ?
O3 P1 Na1 92.47(19) 2_655 9_444 ?
O3 P1 Na1 150.2(2) . 9_444 ?
Na2 P1 Na1 149.02(13) 3_645 9_444 ?
Na2 P1 Na1 24.2(2) 9_444 9_444 ?
Na2 P1 Na1 119.8(5) 19_566 9_444 ?
Na2 P1 Na1 63.8(6) 25_655 9_444 ?
Na1 P1 Na1 170.2(3) . 9_444 ?
O3 P1 Na1 150.2(2) 28_545 3_645 ?
O3 P1 Na1 92.47(19) 27 3_645 ?
O3 P1 Na1 39.5(2) 2_655 3_645 ?
O3 P1 Na1 81.98(18) . 3_645 ?
Na2 P1 Na1 24.2(2) 3_645 3_645 ?
Na2 P1 Na1 119.8(5) 9_444 3_645 ?
Na2 P1 Na1 63.8(6) 19_566 3_645 ?
Na2 P1 Na1 149.02(13) 25_655 3_645 ?
Na1 P1 Na1 46.4(3) . 3_645 ?
Na1 P1 Na1 125.43(2) 9_444 3_645 ?
O3 P1 Na1 81.98(18) 28_545 27 ?
O3 P1 Na1 39.5(2) 27 27 ?
O3 P1 Na1 92.47(19) 2_655 27 ?
O3 P1 Na1 150.2(2) . 27 ?
Na2 P1 Na1 119.8(5) 3_645 27 ?
Na2 P1 Na1 24.2(2) 9_444 27 ?
Na2 P1 Na1 149.02(13) 19_566 27 ?
Na2 P1 Na1 63.8(6) 25_655 27 ?
Na1 P1 Na1 125.43(2) . 27 ?
Na1 P1 Na1 46.4(3) 9_444 27 ?
Na1 P1 Na1 100.01(2) 3_645 27 ?
O2 Al1 O1 180.0 . . ?
O2 Al1 O3 95.6(2) . . ?
O1 Al1 O3 84.4(2) . . ?
O2 Al1 O3 95.6(2) . 3_655 ?
O1 Al1 O3 84.4(2) . 3_655 ?
O3 Al1 O3 89.46(4) . 3_655 ?
O2 Al1 O3 95.6(2) . 2_665 ?
O1 Al1 O3 84.4(2) . 2_665 ?
O3 Al1 O3 168.9(4) . 2_665 ?
O3 Al1 O3 89.46(4) 3_655 2_665 ?
O2 Al1 O3 95.6(2) . 4_565 ?
O1 Al1 O3 84.4(2) . 4_565 ?
O3 Al1 O3 89.46(4) . 4_565 ?
O3 Al1 O3 168.9(4) 3_655 4_565 ?
O3 Al1 O3 89.46(4) 2_665 4_565 ?
O2 Al1 Na1 126.92(13) . 3_655 ?
O1 Al1 Na1 53.08(13) . 3_655 ?
O3 Al1 Na1 120.3(2) . 3_655 ?
O3 Al1 Na1 51.62(13) 3_655 3_655 ?
O3 Al1 Na1 51.62(13) 2_665 3_655 ?
O3 Al1 Na1 120.3(2) 4_565 3_655 ?
O2 Al1 Na1 126.92(13) . . ?
O1 Al1 Na1 53.08(13) . . ?
O3 Al1 Na1 51.62(13) . . ?
O3 Al1 Na1 51.62(13) 3_655 . ?
O3 Al1 Na1 120.3(2) 2_665 . ?
O3 Al1 Na1 120.3(2) 4_565 . ?
Na1 Al1 Na1 68.85(13) 3_655 . ?
O2 Al1 Na1 126.92(13) . 17_666 ?
O1 Al1 Na1 53.08(13) . 17_666 ?
O3 Al1 Na1 120.3(2) . 17_666 ?
O3 Al1 Na1 120.3(2) 3_655 17_666 ?
O3 Al1 Na1 51.62(13) 2_665 17_666 ?
O3 Al1 Na1 51.62(13) 4_565 17_666 ?
Na1 Al1 Na1 68.85(13) 3_655 17_666 ?
Na1 Al1 Na1 106.2(3) . 17_666 ?
O2 Al1 Na1 126.92(13) . 19_566 ?
O1 Al1 Na1 53.08(13) . 19_566 ?
O3 Al1 Na1 51.62(13) . 19_566 ?
O3 Al1 Na1 120.3(2) 3_655 19_566 ?
O3 Al1 Na1 120.3(2) 2_665 19_566 ?
O3 Al1 Na1 51.62(13) 4_565 19_566 ?
Na1 Al1 Na1 106.2(3) 3_655 19_566 ?
Na1 Al1 Na1 68.85(13) . 19_566 ?
Na1 Al1 Na1 68.85(13) 17_666 19_566 ?
Al1 O1 Al1 180.0 17_666 . ?
Al1 O1 Na1 90.000(2) 17_666 19_566 ?
Al1 O1 Na1 90.000(3) . 19_566 ?
Al1 O1 Na1 90.000(2) 17_666 3_655 ?
Al1 O1 Na1 90.000(2) . 3_655 ?
Na1 O1 Na1 180.0(2) 19_566 3_655 ?
Al1 O1 Na1 90.0 17_666 . ?
Al1 O1 Na1 90.0 . . ?
Na1 O1 Na1 90.0 19_566 . ?
Na1 O1 Na1 90.0 3_655 . ?
Al1 O1 Na1 90.0 17_666 17_666 ?
Al1 O1 Na1 90.0 . 17_666 ?
Na1 O1 Na1 90.0 19_566 17_666 ?
Na1 O1 Na1 90.0 3_655 17_666 ?
Na1 O1 Na1 180.0 . 17_666 ?
Al1 O2 Na2 130.4(6) . 11_544 ?
Al1 O2 Na2 130.4(6) . 25_655 ?
Na2 O2 Na2 65.2(7) 11_544 25_655 ?
Al1 O2 Na2 130.4(6) . 27_565 ?
Na2 O2 Na2 99.2(12) 11_544 27_565 ?
Na2 O2 Na2 65.2(7) 25_655 27_565 ?
Al1 O2 Na2 130.4(6) . 9_454 ?
Na2 O2 Na2 65.2(7) 11_544 9_454 ?
Na2 O2 Na2 99.2(12) 25_655 9_454 ?
Na2 O2 Na2 65.2(7) 27_565 9_454 ?
Al1 O2 Na1 128.3(2) . 11_544 ?
Na2 O2 Na1 34.48(15) 11_544 11_544 ?
Na2 O2 Na1 34.48(15) 25_655 11_544 ?
Na2 O2 Na1 91.2(6) 27_565 11_544 ?
Na2 O2 Na1 91.2(6) 9_454 11_544 ?
Al1 O2 Na1 128.3(2) . 27_565 ?
Na2 O2 Na1 91.2(6) 11_544 27_565 ?
Na2 O2 Na1 91.2(6) 25_655 27_565 ?
Na2 O2 Na1 34.48(15) 27_565 27_565 ?
Na2 O2 Na1 34.48(15) 9_454 27_565 ?
Na1 O2 Na1 103.4(4) 11_544 27_565 ?
Al1 O2 Na1 128.3(2) . 25_655 ?
Na2 O2 Na1 91.2(6) 11_544 25_655 ?
Na2 O2 Na1 34.48(15) 25_655 25_655 ?
Na2 O2 Na1 34.48(15) 27_565 25_655 ?
Na2 O2 Na1 91.2(6) 9_454 25_655 ?
Na1 O2 Na1 67.4(2) 11_544 25_655 ?
Na1 O2 Na1 67.4(2) 27_565 25_655 ?
Al1 O2 Na1 128.3(2) . 9_454 ?
Na2 O2 Na1 34.48(15) 11_544 9_454 ?
Na2 O2 Na1 91.2(6) 25_655 9_454 ?
Na2 O2 Na1 91.2(6) 27_565 9_454 ?
Na2 O2 Na1 34.48(15) 9_454 9_454 ?
Na1 O2 Na1 67.4(2) 11_544 9_454 ?
Na1 O2 Na1 67.4(2) 27_565 9_454 ?
Na1 O2 Na1 103.4(4) 25_655 9_454 ?
P1 O3 Al1 137.7(3) . . ?
P1 O3 Na1 116.9(3) . . ?
Al1 O3 Na1 91.0(2) . . ?
P1 O3 Na1 116.9(3) . 19_566 ?
Al1 O3 Na1 91.0(2) . 19_566 ?
Na1 O3 Na1 92.3(3) . 19_566 ?
P1 O3 Na2 90.59(19) . 3_645 ?
Al1 O3 Na2 124.0(4) . 3_645 ?
Na1 O3 Na2 33.4(5) . 3_645 ?
Na1 O3 Na2 86.7(7) 19_566 3_645 ?
P1 O3 Na2 90.59(19) . 19_566 ?
Al1 O3 Na2 124.0(4) . 19_566 ?
Na1 O3 Na2 86.7(7) . 19_566 ?
Na1 O3 Na2 33.4(5) 19_566 19_566 ?
Na2 O3 Na2 65.3(14) 3_645 19_566 ?
Na2 Na1 Na2 125(3) 3_645 . ?
Na2 Na1 O2 68.7(11) 3_645 25_655 ?
Na2 Na1 O2 68.7(11) . 25_655 ?
Na2 Na1 O2 68.7(11) 3_645 9_545 ?
Na2 Na1 O2 68.7(11) . 9_545 ?
O2 Na1 O2 76.6(4) 25_655 9_545 ?
Na2 Na1 O3 74.8(10) 3_645 . ?
Na2 Na1 O3 134.7(3) . . ?
O2 Na1 O3 86.80(18) 25_655 . ?
O2 Na1 O3 143.2(3) 9_545 . ?
Na2 Na1 O3 134.7(3) 3_645 20_656 ?
Na2 Na1 O3 74.8(10) . 20_656 ?
O2 Na1 O3 143.2(3) 25_655 20_656 ?
O2 Na1 O3 86.80(18) 9_545 20_656 ?
O3 Na1 O3 123.3(4) . 20_656 ?
Na2 Na1 O3 134.7(3) 3_645 3_655 ?
Na2 Na1 O3 74.8(10) . 3_655 ?
O2 Na1 O3 86.80(18) 25_655 3_655 ?
O2 Na1 O3 143.2(3) 9_545 3_655 ?
O3 Na1 O3 66.0(3) . 3_655 ?
O3 Na1 O3 87.4(3) 20_656 3_655 ?
Na2 Na1 O3 74.8(10) 3_645 18_556 ?
Na2 Na1 O3 134.7(3) . 18_556 ?
O2 Na1 O3 143.2(3) 25_655 18_556 ?
O2 Na1 O3 86.80(18) 9_545 18_556 ?
O3 Na1 O3 87.4(3) . 18_556 ?
O3 Na1 O3 66.0(3) 20_656 18_556 ?
O3 Na1 O3 123.3(4) 3_655 18_556 ?
Na2 Na1 O1 117.6(14) 3_645 . ?
Na2 Na1 O1 117.6(14) . . ?
O2 Na1 O1 141.7(2) 25_655 . ?
O2 Na1 O1 141.7(2) 9_545 . ?
O3 Na1 O1 61.6(2) . . ?
O3 Na1 O1 61.6(2) 20_656 . ?
O3 Na1 O1 61.6(2) 3_655 . ?
O3 Na1 O1 61.6(2) 18_556 . ?
Na2 Na1 Na1 107.4(14) 3_645 19_666 ?
Na2 Na1 Na1 17.4(14) . 19_666 ?
O2 Na1 Na1 56.31(12) 25_655 19_666 ?
O2 Na1 Na1 56.31(12) 9_545 19_666 ?
O3 Na1 Na1 136.14(15) . 19_666 ?
O3 Na1 Na1 87.2(2) 20_656 19_666 ?
O3 Na1 Na1 87.2(2) 3_655 19_666 ?
O3 Na1 Na1 136.14(15) 18_556 19_666 ?
O1 Na1 Na1 135.000(2) . 19_666 ?
Na2 Na1 Na1 17.4(14) 3_645 3_645 ?
Na2 Na1 Na1 107.4(14) . 3_645 ?
O2 Na1 Na1 56.31(12) 25_655 3_645 ?
O2 Na1 Na1 56.31(12) 9_545 3_645 ?
O3 Na1 Na1 87.2(2) . 3_645 ?
O3 Na1 Na1 136.14(15) 20_656 3_645 ?
O3 Na1 Na1 136.14(15) 3_655 3_645 ?
O3 Na1 Na1 87.2(2) 18_556 3_645 ?
O1 Na1 Na1 135.000(3) . 3_645 ?
Na1 Na1 Na1 90.000(1) 19_666 3_645 ?
Na2 Na1 Al1 111.7(11) 3_645 17_666 ?
Na2 Na1 Al1 111.7(11) . 17_666 ?
O2 Na1 Al1 178.6(3) 25_655 17_666 ?
O2 Na1 Al1 104.76(18) 9_545 17_666 ?
O3 Na1 Al1 92.0(3) . 17_666 ?
O3 Na1 Al1 37.36(16) 20_656 17_666 ?
O3 Na1 Al1 92.0(3) 3_655 17_666 ?
O3 Na1 Al1 37.36(16) 18_556 17_666 ?
O1 Na1 Al1 36.92(13) . 17_666 ?
Na1 Na1 Al1 124.43(7) 19_666 17_666 ?
Na1 Na1 Al1 124.43(7) 3_645 17_666 ?
Na1 Na2 Na1 145(3) . 19_666 ?
Na1 Na2 O2 76.8(12) . 25_655 ?
Na1 Na2 O2 76.8(12) 19_666 25_655 ?
Na1 Na2 O2 76.8(12) . 9_545 ?
Na1 Na2 O2 76.8(12) 19_666 9_545 ?
O2 Na2 O2 80.8(12) 25_655 9_545 ?
Na1 Na2 O3 129.4(7) . 19_666 ?
Na1 Na2 O3 71.9(6) 19_666 19_666 ?
O2 Na2 O3 148.4(7) 25_655 19_666 ?
O2 Na2 O3 88.3(2) 9_545 19_666 ?
Na1 Na2 O3 71.9(6) . 20_656 ?
Na1 Na2 O3 129.4(7) 19_666 20_656 ?
O2 Na2 O3 148.4(7) 25_655 20_656 ?
O2 Na2 O3 88.3(2) 9_545 20_656 ?
O3 Na2 O3 59.4(6) 19_666 20_656 ?
Na1 Na2 O3 71.9(6) . 3_655 ?
Na1 Na2 O3 129.4(7) 19_666 3_655 ?
O2 Na2 O3 88.3(2) 25_655 3_655 ?
O2 Na2 O3 148.4(7) 9_545 3_655 ?
O3 Na2 O3 114.7(14) 19_666 3_655 ?
O3 Na2 O3 85.8(9) 20_656 3_655 ?
Na1 Na2 O3 129.4(7) . 4_665 ?
Na1 Na2 O3 71.9(6) 19_666 4_665 ?
O2 Na2 O3 88.3(2) 25_655 4_665 ?
O2 Na2 O3 148.4(7) 9_545 4_665 ?
O3 Na2 O3 85.8(9) 19_666 4_665 ?
O3 Na2 O3 114.7(14) 20_656 4_665 ?
O3 Na2 O3 59.4(6) 3_655 4_665 ?
Na1 Na2 Na2 27.6(14) . 3_645 ?
Na1 Na2 Na2 117.6(14) 19_666 3_645 ?
O2 Na2 Na2 57.4(3) 25_655 3_645 ?
O2 Na2 Na2 57.4(3) 9_545 3_645 ?
O3 Na2 Na2 137.0(4) 19_666 3_645 ?
O3 Na2 Na2 91.8(6) 20_656 3_645 ?
O3 Na2 Na2 91.8(6) 3_655 3_645 ?
O3 Na2 Na2 137.0(4) 4_665 3_645 ?
Na1 Na2 Na2 117.6(14) . 19_666 ?
Na1 Na2 Na2 27.6(14) 19_666 19_666 ?
O2 Na2 Na2 57.4(3) 25_655 19_666 ?
O2 Na2 Na2 57.4(3) 9_545 19_666 ?
O3 Na2 Na2 91.8(6) 19_666 19_666 ?
O3 Na2 Na2 137.0(4) 20_656 19_666 ?
O3 Na2 Na2 137.0(4) 3_655 19_666 ?
O3 Na2 Na2 91.8(6) 4_665 19_666 ?
Na2 Na2 Na2 90.000(3) 3_645 19_666 ?
Na1 Na2 Na2 107.4(14) . 17_766 ?
Na1 Na2 Na2 107.4(15) 19_666 17_766 ?
O2 Na2 Na2 139.6(6) 25_655 17_766 ?
O2 Na2 Na2 139.6(6) 9_545 17_766 ?
O3 Na2 Na2 57.3(7) 19_666 17_766 ?
O3 Na2 Na2 57.3(7) 20_656 17_766 ?
O3 Na2 Na2 57.3(7) 3_655 17_766 ?
O3 Na2 Na2 57.3(7) 4_665 17_766 ?
Na2 Na2 Na2 135.000(4) 3_645 17_766 ?
Na2 Na2 Na2 135.000(4) 19_666 17_766 ?
Na1 Na2 P1 97.9(5) . 9 ?
Na1 Na2 P1 97.9(5) 19_666 9 ?
O2 Na2 P1 157.6(12) 25_655 9 ?
O2 Na2 P1 76.79(18) 9_545 9 ?
O3 Na2 P1 31.6(2) 19_666 9 ?
O3 Na2 P1 31.6(2) 20_656 9 ?
O3 Na2 P1 111.0(11) 3_655 9 ?
O3 Na2 P1 111.0(11) 4_665 9 ?
Na2 Na2 P1 108.8(4) 3_645 9 ?
Na2 Na2 P1 108.8(4) 19_666 9 ?
Na2 Na2 P1 62.8(6) 17_766 9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 O3 1.527(5) 28_545 ?
P1 O3 1.527(5) 27 ?
P1 O3 1.527(5) 2_655 ?
P1 O3 1.527(5) . ?
P1 Na2 2.918(17) 3_645 ?
P1 Na2 2.918(17) 9_444 ?
P1 Na2 2.918(17) 19_566 ?
P1 Na2 2.918(17) 25_655 ?
P1 Na1 3.4093(9) . ?
P1 Na1 3.4093(9) 9_444 ?
P1 Na1 3.4093(9) 3_645 ?
P1 Na1 3.4093(9) 27 ?
Al1 O2 1.825(10) . ?
Al1 O1 1.864(4) . ?
Al1 O3 1.884(5) . ?
Al1 O3 1.884(5) 3_655 ?
Al1 O3 1.884(5) 2_665 ?
Al1 O3 1.884(5) 4_565 ?
Al1 Na1 3.104(8) 3_655 ?
Al1 Na1 3.104(8) . ?
Al1 Na1 3.104(8) 17_666 ?
Al1 Na1 3.104(8) 19_566 ?
O1 Al1 1.864(4) 17_666 ?
O1 Na1 2.482(10) 19_566 ?
O1 Na1 2.482(10) 3_655 ?
O1 Na1 2.482(10) . ?
O1 Na1 2.482(10) 17_666 ?
O2 Na2 2.32(3) 11_544 ?
O2 Na2 2.32(3) 25_655 ?
O2 Na2 2.32(3) 27_565 ?
O2 Na2 2.32(3) 9_454 ?
O2 Na1 2.423(10) 11_544 ?
O2 Na1 2.423(10) 27_565 ?
O2 Na1 2.423(10) 25_655 ?
O2 Na1 2.423(10) 9_454 ?
O3 Na1 2.434(6) . ?
O3 Na1 2.434(6) 19_566 ?
O3 Na2 2.47(2) 3_645 ?
O3 Na2 2.47(2) 19_566 ?
Na1 Na2 1.409(12) 3_645 ?
Na1 Na2 1.409(12) . ?
Na1 O2 2.423(10) 25_655 ?
Na1 O2 2.423(10) 9_545 ?
Na1 O3 2.434(6) 20_656 ?
Na1 O3 2.434(6) 3_655 ?
Na1 O3 2.434(6) 18_556 ?
Na1 Na1 2.688(14) 19_666 ?
Na1 Na1 2.688(14) 3_645 ?
Na1 Al1 3.104(8) 17_666 ?
Na2 Na1 1.409(12) 19_666 ?
Na2 O2 2.32(3) 25_655 ?
Na2 O2 2.32(3) 9_545 ?
Na2 O3 2.47(2) 19_666 ?
Na2 O3 2.47(2) 20_656 ?
Na2 O3 2.47(2) 3_655 ?
Na2 O3 2.47(2) 4_665 ?
Na2 Na2 2.50(5) 3_645 ?
Na2 Na2 2.50(5) 19_666 ?
Na2 Na2 2.67(7) 17_766 ?
Na2 P1 2.918(17) 9 ?
