# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_y
_database_code_depnum_ccdc_archive 'CCDC 1046363'
_audit_update_record             
;
2015-03-12 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        JU103
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H3 Al4 Na3 O19 P4'
_chemical_formula_weight         607.79

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'
H H 0.0000 0.0000 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   7.5370(18)
_cell_length_b                   12.525(3)
_cell_length_c                   9.700(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.510(4)
_cell_angle_gamma                90.00
_cell_volume                     905.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2912
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      30.95

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             600
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.8536
_exptl_absorpt_correction_T_max  0.8726
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5077
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         26.44
_reflns_number_total             1944
_reflns_number_gt                1783
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1724P)²+28.4650P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.012(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1944
_refine_ls_number_parameters     167
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1212
_refine_ls_R_factor_gt           0.1169
_refine_ls_wR_factor_ref         0.3291
_refine_ls_wR_factor_gt          0.3265
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.1676(4) 0.8700(2) 1.1433(3) 0.0093(7) Uani 1 1 d . . .
Al2 Al 0.5000 1.0000 1.0000 0.0106(9) Uani 1 2 d S . .
Al3 Al 0.1983(5) 0.7500 0.6722(4) 0.0107(9) Uani 1 2 d S . .
P1 P 0.1149(3) 0.94612(18) 0.8295(2) 0.0093(7) Uani 1 1 d . . .
P2 P 0.4481(4) 0.7500 0.9783(3) 0.0101(8) Uani 1 2 d S . .
P3 P 0.2594(5) 0.7500 1.4206(3) 0.0121(8) Uani 1 2 d S . .
O1 O 0.3439(8) 0.9724(5) 1.1304(6) 0.0110(13) Uani 1 1 d . . .
O2 O 0.0249(12) 0.7500 1.1569(9) 0.0098(18) Uani 1 2 d S . .
O3 O 0.2841(9) 0.8496(6) 1.3353(6) 0.0138(14) Uani 1 1 d . . .
O4 O 0.0631(9) 0.8882(6) 0.9564(7) 0.0141(14) Uani 1 1 d . . .
O5 O 0.0118(9) 0.9608(6) 1.2129(7) 0.0160(15) Uani 1 1 d . . .
O6 O 0.3097(9) 0.9820(6) 0.8530(6) 0.0130(14) Uani 1 1 d . . .
O7 O 0.5639(9) 0.8502(5) 1.0009(7) 0.0129(14) Uani 1 1 d . . .
O8 O 0.3445(13) 0.7500 0.8319(10) 0.015(2) Uani 1 2 d S . .
O9 O 0.3180(12) 0.7500 1.0902(9) 0.0100(18) Uani 1 2 d S . .
O10 O 0.0841(9) 0.8702(5) 0.7012(7) 0.0145(15) Uani 1 1 d . . .
O11 O 0.3816(13) 0.7500 0.5636(9) 0.014(2) Uani 1 2 d S . .
O12 O 0.0761(14) 0.7500 0.4774(10) 0.019(2) Uani 1 2 d S . .
Na1 Na 0.0651(18) 0.9694(11) 0.4646(11) 0.036(3) Uani 0.40 1 d P . .
Na2 Na 0.8357(8) 0.7500 0.9416(6) 0.0121(14) Uani 0.80 2 d SP . .
Na3 Na 0.4109(13) 1.1082(10) 0.7054(11) 0.040(3) Uani 0.50 1 d P . .
Na4 Na 0.259(2) 1.2500 0.670(2) 0.048(5) Uani 0.40 2 d SP . .
H1O H 0.3004 1.0288 1.1841 0.071 Uiso 1 1 d R . .
H2O H -0.0636 0.7500 1.2183 0.071 Uiso 1 2 d SR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Al1 O5 1.834(7) . ?
Al1 O2 1.864(6) . ?
Al1 O1 1.865(7) . ?
Al1 O4 1.881(7) . ?
Al1 O3 1.955(7) . ?
Al1 O9 1.995(7) . ?
Al1 Na2 3.301(6) 1_455 ?
Al1 Na3 3.308(10) 3_677 ?
Al1 Na1 3.546(12) 1_556 ?
Al2 O6 1.881(6) 3_677 ?
Al2 O6 1.881(6) . ?
Al2 O1 1.882(6) . ?
Al2 O1 1.882(6) 3_677 ?
Al2 O7 1.937(7) . ?
Al2 O7 1.937(7) 3_677 ?
Al2 Na3 3.144(10) . ?
Al2 Na3 3.144(10) 3_677 ?
Al3 O8 1.763(10) . ?
Al3 O10 1.777(7) 4_575 ?
Al3 O10 1.777(7) . ?
Al3 O11 1.857(10) . ?
Al3 O12 1.976(10) . ?
Al3 P3 2.550(5) 1_554 ?
Al3 Na1 3.467(13) 4_575 ?
Al3 Na1 3.467(13) . ?
P1 O6 1.520(7) . ?
P1 O5 1.525(7) 3_577 ?
P1 O4 1.528(7) . ?
P1 O10 1.556(7) . ?
P1 Na1 3.155(11) 3_576 ?
P1 Na3 3.368(10) . ?
P2 O8 1.517(10) . ?
P2 O7 1.526(7) 4_575 ?
P2 O7 1.526(7) . ?
P2 O9 1.566(9) . ?
P2 Na2 2.995(7) . ?
P3 O3 1.523(7) . ?
P3 O3 1.523(7) 4_575 ?
P3 O11 1.548(9) 1_556 ?
P3 O12 1.562(11) 1_556 ?
P3 Al3 2.550(5) 1_556 ?
P3 Na1 3.173(14) 4_576 ?
P3 Na1 3.173(13) 1_556 ?
P3 Na3 3.424(11) 3_677 ?
P3 Na3 3.424(10) 2_647 ?
O1 Na3 2.471(11) 3_677 ?
O1 H1O 0.9628 . ?
O2 Al1 1.864(6) 4_575 ?
O2 Na2 2.348(11) 1_455 ?
O2 Na4 2.90(2) 3_577 ?
O2 H2O 0.9582 . ?
O3 Na3 2.447(12) 3_677 ?
O3 Na1 2.677(15) 1_556 ?
O4 Na2 2.425(8) 1_455 ?
O5 P1 1.525(7) 3_577 ?
O5 Na1 2.417(12) 1_556 ?
O6 Na3 2.336(12) . ?
O7 Na2 2.540(9) . ?
O7 Na3 2.875(13) 3_677 ?
O9 Al1 1.995(7) 4_575 ?
O10 Na1 2.595(13) . ?
O10 Na1 2.711(14) 3_576 ?
O11 P3 1.548(9) 1_554 ?
O12 P3 1.562(11) 1_554 ?
O12 Na4 2.71(2) 3_576 ?
O12 Na1 2.752(14) 4_575 ?
O12 Na1 2.752(14) . ?
Na1 Na1 1.49(3) 3_576 ?
Na1 O5 2.417(12) 1_554 ?
Na1 O3 2.677(15) 1_554 ?
Na1 O10 2.711(14) 3_576 ?
Na1 P1 3.155(11) 3_576 ?
Na1 P3 3.173(13) 1_554 ?
Na1 Al1 3.546(12) 1_554 ?
Na1 Na3 3.670(17) . ?
Na1 Na4 3.778(19) 3_576 ?
Na2 O2 2.348(11) 1_655 ?
Na2 O4 2.425(8) 1_655 ?
Na2 O4 2.425(8) 4_675 ?
Na2 O7 2.540(9) 4_575 ?
Na2 Al1 3.301(6) 1_655 ?
Na2 Al1 3.301(6) 4_675 ?
Na2 Na4 3.93(2) 3_677 ?
Na3 Na4 2.114(15) . ?
Na3 O3 2.447(12) 3_677 ?
Na3 O1 2.471(11) 3_677 ?
Na3 O7 2.875(13) 3_677 ?
Na3 Al1 3.308(10) 3_677 ?
Na3 P3 3.424(10) 3_677 ?
Na3 Na3 3.55(2) 4_585 ?
Na3 Na1 3.844(17) 3_576 ?
Na4 Na3 2.114(15) 4_585 ?
Na4 O12 2.71(2) 3_576 ?
Na4 O2 2.90(2) 3_577 ?
Na4 Na1 3.778(19) 3_576 ?
Na4 Na1 3.778(19) 2_556 ?
Na4 Na2 3.93(2) 3_677 ?
Na4 Na1 4.195(18) 4_585 ?

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
O5 Al1 O2 93.8(3) . . ?
O5 Al1 O1 95.7(3) . . ?
O2 Al1 O1 169.7(3) . . ?
O5 Al1 O4 94.6(3) . . ?
O2 Al1 O4 90.1(4) . . ?
O1 Al1 O4 93.0(3) . . ?
O5 Al1 O3 87.3(3) . . ?
O2 Al1 O3 90.6(4) . . ?
O1 Al1 O3 86.0(3) . . ?
O4 Al1 O3 178.0(3) . . ?
O5 Al1 O9 168.9(3) . . ?
O2 Al1 O9 76.5(3) . . ?
O1 Al1 O9 93.6(3) . . ?
O4 Al1 O9 90.9(3) . . ?
O3 Al1 O9 87.4(3) . . ?
O5 Al1 Na2 91.7(3) . 1_455 ?
O2 Al1 Na2 44.0(3) . 1_455 ?
O1 Al1 Na2 139.3(2) . 1_455 ?
O4 Al1 Na2 46.5(2) . 1_455 ?
O3 Al1 Na2 134.4(2) . 1_455 ?
O9 Al1 Na2 85.1(3) . 1_455 ?
O5 Al1 Na3 114.3(3) . 3_677 ?
O2 Al1 Na3 124.2(3) . 3_677 ?
O1 Al1 Na3 47.6(3) . 3_677 ?
O4 Al1 Na3 130.9(3) . 3_677 ?
O3 Al1 Na3 47.3(3) . 3_677 ?
O9 Al1 Na3 68.4(3) . 3_677 ?
Na2 Al1 Na3 153.4(3) 1_455 3_677 ?
O5 Al1 Na1 39.1(3) . 1_556 ?
O2 Al1 Na1 91.0(4) . 1_556 ?
O1 Al1 Na1 93.9(3) . 1_556 ?
O4 Al1 Na1 133.6(3) . 1_556 ?
O3 Al1 Na1 48.2(3) . 1_556 ?
O9 Al1 Na1 134.2(3) . 1_556 ?
Na2 Al1 Na1 115.9(3) 1_455 1_556 ?
Na3 Al1 Na1 84.3(3) 3_677 1_556 ?
O6 Al2 O6 180.000(2) 3_677 . ?
O6 Al2 O1 89.7(3) 3_677 . ?
O6 Al2 O1 90.3(3) . . ?
O6 Al2 O1 90.3(3) 3_677 3_677 ?
O6 Al2 O1 89.7(3) . 3_677 ?
O1 Al2 O1 179.999(2) . 3_677 ?
O6 Al2 O7 87.2(3) 3_677 . ?
O6 Al2 O7 92.8(3) . . ?
O1 Al2 O7 89.9(3) . . ?
O1 Al2 O7 90.1(3) 3_677 . ?
O6 Al2 O7 92.8(3) 3_677 3_677 ?
O6 Al2 O7 87.2(3) . 3_677 ?
O1 Al2 O7 90.1(3) . 3_677 ?
O1 Al2 O7 89.9(3) 3_677 3_677 ?
O7 Al2 O7 179.999(3) . 3_677 ?
O6 Al2 Na3 132.4(3) 3_677 . ?
O6 Al2 Na3 47.6(3) . . ?
O1 Al2 Na3 128.2(3) . . ?
O1 Al2 Na3 51.8(3) 3_677 . ?
O7 Al2 Na3 116.2(3) . . ?
O7 Al2 Na3 63.8(3) 3_677 . ?
O6 Al2 Na3 47.6(3) 3_677 3_677 ?
O6 Al2 Na3 132.4(3) . 3_677 ?
O1 Al2 Na3 51.8(3) . 3_677 ?
O1 Al2 Na3 128.2(3) 3_677 3_677 ?
O7 Al2 Na3 63.8(3) . 3_677 ?
O7 Al2 Na3 116.2(3) 3_677 3_677 ?
Na3 Al2 Na3 180.000(2) . 3_677 ?
O8 Al3 O10 96.6(3) . 4_575 ?
O8 Al3 O10 96.6(3) . . ?
O10 Al3 O10 115.8(5) 4_575 . ?
O8 Al3 O11 94.4(5) . . ?
O10 Al3 O11 120.6(3) 4_575 . ?
O10 Al3 O11 120.6(3) . . ?
O8 Al3 O12 169.3(5) . . ?
O10 Al3 O12 89.1(3) 4_575 . ?
O10 Al3 O12 89.1(3) . . ?
O11 Al3 O12 74.8(4) . . ?
O8 Al3 P3 131.5(4) . 1_554 ?
O10 Al3 P3 108.2(2) 4_575 1_554 ?
O10 Al3 P3 108.2(2) . 1_554 ?
O11 Al3 P3 37.1(3) . 1_554 ?
O12 Al3 P3 37.8(3) . 1_554 ?
O8 Al3 Na1 126.9(2) . 4_575 ?
O10 Al3 Na1 46.8(3) 4_575 4_575 ?
O10 Al3 Na1 131.2(4) . 4_575 ?
O11 Al3 Na1 81.2(3) . 4_575 ?
O12 Al3 Na1 52.5(2) . 4_575 ?
P3 Al3 Na1 61.4(2) 1_554 4_575 ?
O8 Al3 Na1 126.9(2) . . ?
O10 Al3 Na1 131.2(4) 4_575 . ?
O10 Al3 Na1 46.8(3) . . ?
O11 Al3 Na1 81.2(3) . . ?
O12 Al3 Na1 52.5(2) . . ?
P3 Al3 Na1 61.4(2) 1_554 . ?
Na1 Al3 Na1 104.9(4) 4_575 . ?
O6 P1 O5 111.5(4) . 3_577 ?
O6 P1 O4 112.1(4) . . ?
O5 P1 O4 110.8(4) 3_577 . ?
O6 P1 O10 109.1(4) . . ?
O5 P1 O10 103.8(4) 3_577 . ?
O4 P1 O10 109.2(4) . . ?
O6 P1 Na1 108.2(4) . 3_576 ?
O5 P1 Na1 48.0(3) 3_577 3_576 ?
O4 P1 Na1 139.5(4) . 3_576 ?
O10 P1 Na1 59.2(4) . 3_576 ?
O6 P1 Na3 36.8(3) . . ?
O5 P1 Na3 82.2(3) 3_577 . ?
O4 P1 Na3 146.7(3) . . ?
O10 P1 Na3 96.4(4) . . ?
Na1 P1 Na3 72.2(3) 3_576 . ?
O8 P2 O7 109.8(3) . 4_575 ?
O8 P2 O7 109.8(3) . . ?
O7 P2 O7 110.7(5) 4_575 . ?
O8 P2 O9 111.1(5) . . ?
O7 P2 O9 107.7(3) 4_575 . ?
O7 P2 O9 107.7(3) . . ?
O8 P2 Na2 105.3(4) . . ?
O7 P2 Na2 58.0(3) 4_575 . ?
O7 P2 Na2 58.0(3) . . ?
O9 P2 Na2 143.5(4) . . ?
O3 P3 O3 110.0(5) . 4_575 ?
O3 P3 O11 112.5(3) . 1_556 ?
O3 P3 O11 112.5(3) 4_575 1_556 ?
O3 P3 O12 112.2(3) . 1_556 ?
O3 P3 O12 112.2(4) 4_575 1_556 ?
O11 P3 O12 97.1(5) 1_556 1_556 ?
O3 P3 Al3 125.0(3) . 1_556 ?
O3 P3 Al3 125.0(3) 4_575 1_556 ?
O11 P3 Al3 46.4(4) 1_556 1_556 ?
O12 P3 Al3 50.8(4) 1_556 1_556 ?
O3 P3 Na1 151.5(4) . 4_576 ?
O3 P3 Na1 57.3(4) 4_575 4_576 ?
O11 P3 Na1 96.0(3) 1_556 4_576 ?
O12 P3 Na1 60.1(3) 1_556 4_576 ?
Al3 P3 Na1 73.7(2) 1_556 4_576 ?
O3 P3 Na1 57.3(4) . 1_556 ?
O3 P3 Na1 151.5(4) 4_575 1_556 ?
O11 P3 Na1 96.0(3) 1_556 1_556 ?
O12 P3 Na1 60.1(3) 1_556 1_556 ?
Al3 P3 Na1 73.7(2) 1_556 1_556 ?
Na1 P3 Na1 120.0(6) 4_576 1_556 ?
O3 P3 Na3 39.5(3) . 3_677 ?
O3 P3 Na3 94.4(4) 4_575 3_677 ?
O11 P3 Na3 87.3(4) 1_556 3_677 ?
O12 P3 Na3 148.5(2) 1_556 3_677 ?
Al3 P3 Na3 125.8(2) 1_556 3_677 ?
Na1 P3 Na3 150.6(4) 4_576 3_677 ?
Na1 P3 Na3 88.4(3) 1_556 3_677 ?
O3 P3 Na3 94.4(4) . 2_647 ?
O3 P3 Na3 39.5(3) 4_575 2_647 ?
O11 P3 Na3 87.3(4) 1_556 2_647 ?
O12 P3 Na3 148.5(2) 1_556 2_647 ?
Al3 P3 Na3 125.8(2) 1_556 2_647 ?
Na1 P3 Na3 88.4(3) 4_576 2_647 ?
Na1 P3 Na3 150.6(4) 1_556 2_647 ?
Na3 P3 Na3 62.5(4) 3_677 2_647 ?
Al1 O1 Al2 133.9(4) . . ?
Al1 O1 Na3 98.5(4) . 3_677 ?
Al2 O1 Na3 91.5(3) . 3_677 ?
Al1 O1 H1O 99.5 . . ?
Al2 O1 H1O 121.7 . . ?
Na3 O1 H1O 103.5 3_677 . ?
Al1 O2 Al1 107.5(5) 4_575 . ?
Al1 O2 Na2 102.6(3) 4_575 1_455 ?
Al1 O2 Na2 102.6(3) . 1_455 ?
Al1 O2 Na4 121.5(3) 4_575 3_577 ?
Al1 O2 Na4 121.5(3) . 3_577 ?
Na2 O2 Na4 96.4(5) 1_455 3_577 ?
Al1 O2 H2O 120.4 4_575 . ?
Al1 O2 H2O 120.4 . . ?
Na2 O2 H2O 99.6 1_455 . ?
Na4 O2 H2O 3.2 3_577 . ?
P3 O3 Al1 123.4(4) . . ?
P3 O3 Na3 117.2(5) . 3_677 ?
Al1 O3 Na3 96.8(4) . 3_677 ?
P3 O3 Na1 94.1(4) . 1_556 ?
Al1 O3 Na1 98.7(4) . 1_556 ?
Na3 O3 Na1 127.9(5) 3_677 1_556 ?
P1 O4 Al1 135.5(4) . . ?
P1 O4 Na2 123.6(4) . 1_455 ?
Al1 O4 Na2 99.3(3) . 1_455 ?
P1 O5 Al1 141.7(4) 3_577 . ?
P1 O5 Na1 104.0(5) 3_577 1_556 ?
Al1 O5 Na1 112.3(4) . 1_556 ?
P1 O6 Al2 139.5(4) . . ?
P1 O6 Na3 120.3(4) . . ?
Al2 O6 Na3 95.9(4) . . ?
P2 O7 Al2 131.3(4) . . ?
P2 O7 Na2 91.4(3) . . ?
Al2 O7 Na2 133.3(3) . . ?
P2 O7 Na3 104.1(4) . 3_677 ?
Al2 O7 Na3 79.0(3) . 3_677 ?
Na2 O7 Na3 112.1(3) . 3_677 ?
P2 O8 Al3 172.5(7) . . ?
P2 O9 Al1 128.1(3) . 4_575 ?
P2 O9 Al1 128.1(3) . . ?
Al1 O9 Al1 97.7(4) 4_575 . ?
P1 O10 Al3 128.8(4) . . ?
P1 O10 Na1 113.4(5) . . ?
Al3 O10 Na1 103.3(4) . . ?
P1 O10 Na1 91.2(4) . 3_576 ?
Al3 O10 Na1 134.6(4) . 3_576 ?
Na1 O10 Na1 32.5(6) . 3_576 ?
P3 O11 Al3 96.6(5) 1_554 . ?
P3 O12 Al3 91.5(5) 1_554 . ?
P3 O12 Na4 128.1(7) 1_554 3_576 ?
Al3 O12 Na4 140.5(7) . 3_576 ?
P3 O12 Na1 90.4(4) 1_554 4_575 ?
Al3 O12 Na1 92.9(3) . 4_575 ?
Na4 O12 Na1 87.5(3) 3_576 4_575 ?
P3 O12 Na1 90.4(4) 1_554 . ?
Al3 O12 Na1 92.9(3) . . ?
Na4 O12 Na1 87.5(3) 3_576 . ?
Na1 O12 Na1 174.2(6) 4_575 . ?
Na1 Na1 O5 117.8(10) 3_576 1_554 ?
Na1 Na1 O10 78.0(9) 3_576 . ?
O5 Na1 O10 148.3(7) 1_554 . ?
Na1 Na1 O3 176.4(15) 3_576 1_554 ?
O5 Na1 O3 61.5(4) 1_554 1_554 ?
O10 Na1 O3 100.9(5) . 1_554 ?
Na1 Na1 O10 69.5(9) 3_576 3_576 ?
O5 Na1 O10 56.1(3) 1_554 3_576 ?
O10 Na1 O10 147.5(6) . 3_576 ?
O3 Na1 O10 111.6(5) 1_554 3_576 ?
Na1 Na1 O12 120.7(13) 3_576 . ?
O5 Na1 O12 90.0(5) 1_554 . ?
O10 Na1 O12 59.0(4) . . ?
O3 Na1 O12 56.3(4) 1_554 . ?
O10 Na1 O12 140.7(5) 3_576 . ?
Na1 Na1 P1 91.2(9) 3_576 3_576 ?
O5 Na1 P1 28.0(2) 1_554 3_576 ?
O10 Na1 P1 157.0(6) . 3_576 ?
O3 Na1 P1 88.7(3) 1_554 3_576 ?
O10 Na1 P1 29.55(18) 3_576 3_576 ?
O12 Na1 P1 112.4(5) . 3_576 ?
Na1 Na1 P3 148.9(13) 3_576 1_554 ?
O5 Na1 P3 80.6(4) 1_554 1_554 ?
O10 Na1 P3 74.8(4) . 1_554 ?
O3 Na1 P3 28.6(2) 1_554 1_554 ?
O10 Na1 P3 136.1(4) 3_576 1_554 ?
O12 Na1 P3 29.5(3) . 1_554 ?
P1 Na1 P3 108.3(4) 3_576 1_554 ?
Na1 Na1 Al3 107.1(10) 3_576 . ?
O5 Na1 Al3 122.8(5) 1_554 . ?
O10 Na1 Al3 29.9(2) . . ?
O3 Na1 Al3 71.4(3) 1_554 . ?
O10 Na1 Al3 172.3(6) 3_576 . ?
O12 Na1 Al3 34.7(3) . . ?
P1 Na1 Al3 147.1(5) 3_576 . ?
P3 Na1 Al3 44.90(19) 1_554 . ?
Na1 Na1 Al1 146.1(10) 3_576 1_554 ?
O5 Na1 Al1 28.6(2) 1_554 1_554 ?
O10 Na1 Al1 128.2(5) . 1_554 ?
O3 Na1 Al1 33.0(2) 1_554 1_554 ?
O10 Na1 Al1 82.2(3) 3_576 1_554 ?
O12 Na1 Al1 71.3(4) . 1_554 ?
P1 Na1 Al1 56.19(19) 3_576 1_554 ?
P3 Na1 Al1 54.0(2) 1_554 1_554 ?
Al3 Na1 Al1 98.6(3) . 1_554 ?
Na1 Na1 Na3 85.2(10) 3_576 . ?
O5 Na1 Na3 131.3(6) 1_554 . ?
O10 Na1 Na3 73.9(3) . . ?
O3 Na1 Na3 97.7(4) 1_554 . ?
O10 Na1 Na3 102.7(5) 3_576 . ?
O12 Na1 Na3 115.5(4) . . ?
P1 Na1 Na3 125.9(5) 3_576 . ?
P3 Na1 Na3 101.4(4) 1_554 . ?
Al3 Na1 Na3 83.6(3) . . ?
Al1 Na1 Na3 119.9(4) 1_554 . ?
Na1 Na1 Na4 95.6(12) 3_576 3_576 ?
O5 Na1 Na4 67.4(5) 1_554 3_576 ?
O10 Na1 Na4 84.6(5) . 3_576 ?
O3 Na1 Na4 80.9(4) 1_554 3_576 ?
O10 Na1 Na4 98.3(4) 3_576 3_576 ?
O12 Na1 Na4 45.8(4) . 3_576 ?
P1 Na1 Na4 76.2(4) 3_576 3_576 ?
P3 Na1 Na4 67.1(3) 1_554 3_576 ?
Al3 Na1 Na4 75.0(4) . 3_576 ?
Al1 Na1 Na4 69.7(4) 1_554 3_576 ?
Na3 Na1 Na4 157.9(5) . 3_576 ?
O2 Na2 O4 67.4(3) 1_655 1_655 ?
O2 Na2 O4 67.4(3) 1_655 4_675 ?
O4 Na2 O4 91.1(4) 1_655 4_675 ?
O2 Na2 O7 101.7(3) 1_655 4_575 ?
O4 Na2 O7 157.8(3) 1_655 4_575 ?
O4 Na2 O7 102.7(2) 4_675 4_575 ?
O2 Na2 O7 101.7(3) 1_655 . ?
O4 Na2 O7 102.7(2) 1_655 . ?
O4 Na2 O7 157.8(3) 4_675 . ?
O7 Na2 O7 59.2(3) 4_575 . ?
O2 Na2 P2 111.6(3) 1_655 . ?
O4 Na2 P2 133.3(2) 1_655 . ?
O4 Na2 P2 133.3(2) 4_675 . ?
O7 Na2 P2 30.61(17) 4_575 . ?
O7 Na2 P2 30.61(17) . . ?
O2 Na2 Al1 33.44(15) 1_655 1_655 ?
O4 Na2 Al1 34.21(17) 1_655 1_655 ?
O4 Na2 Al1 79.8(2) 4_675 1_655 ?
O7 Na2 Al1 131.0(3) 4_575 1_655 ?
O7 Na2 Al1 101.9(2) . 1_655 ?
P2 Na2 Al1 126.61(19) . 1_655 ?
O2 Na2 Al1 33.44(15) 1_655 4_675 ?
O4 Na2 Al1 79.8(2) 1_655 4_675 ?
O4 Na2 Al1 34.21(17) 4_675 4_675 ?
O7 Na2 Al1 101.9(2) 4_575 4_675 ?
O7 Na2 Al1 131.0(3) . 4_675 ?
P2 Na2 Al1 126.61(19) . 4_675 ?
Al1 Na2 Al1 54.16(13) 1_655 4_675 ?
O2 Na2 Na4 47.2(4) 1_655 3_677 ?
O4 Na2 Na4 99.8(3) 1_655 3_677 ?
O4 Na2 Na4 99.8(3) 4_675 3_677 ?
O7 Na2 Na4 61.1(3) 4_575 3_677 ?
O7 Na2 Na4 61.1(3) . 3_677 ?
P2 Na2 Na4 64.4(3) . 3_677 ?
Al1 Na2 Na4 70.2(3) 1_655 3_677 ?
Al1 Na2 Na4 70.2(3) 4_675 3_677 ?
Na4 Na3 O6 116.7(7) . . ?
Na4 Na3 O3 107.0(6) . 3_677 ?
O6 Na3 O3 130.1(5) . 3_677 ?
Na4 Na3 O1 141.6(8) . 3_677 ?
O6 Na3 O1 67.0(3) . 3_677 ?
O3 Na3 O1 64.0(3) 3_677 3_677 ?
Na4 Na3 O7 87.8(7) . 3_677 ?
O6 Na3 O7 59.7(3) . 3_677 ?
O3 Na3 O7 101.2(4) 3_677 3_677 ?
O1 Na3 O7 60.1(3) 3_677 3_677 ?
Na4 Na3 Al2 123.1(8) . . ?
O6 Na3 Al2 36.5(2) . . ?
O3 Na3 Al2 99.2(3) 3_677 . ?
O1 Na3 Al2 36.8(2) 3_677 . ?
O7 Na3 Al2 37.20(18) 3_677 . ?
Na4 Na3 Al1 117.7(6) . 3_677 ?
O6 Na3 Al1 99.4(4) . 3_677 ?
O3 Na3 Al1 35.9(2) 3_677 3_677 ?
O1 Na3 Al1 33.9(2) 3_677 3_677 ?
O7 Na3 Al1 68.1(3) 3_677 3_677 ?
Al2 Na3 Al1 64.55(19) . 3_677 ?
Na4 Na3 P1 101.0(6) . . ?
O6 Na3 P1 22.9(2) . . ?
O3 Na3 P1 151.1(5) 3_677 . ?
O1 Na3 P1 89.7(3) 3_677 . ?
O7 Na3 P1 72.9(3) 3_677 . ?
Al2 Na3 P1 58.60(17) . . ?
Al1 Na3 P1 122.3(3) 3_677 . ?
Na4 Na3 P3 85.0(6) . 3_677 ?
O6 Na3 P3 152.9(4) . 3_677 ?
O3 Na3 P3 23.3(2) 3_677 3_677 ?
O1 Na3 P3 85.9(3) 3_677 3_677 ?
O7 Na3 P3 108.3(4) 3_677 3_677 ?
Al2 Na3 P3 118.6(3) . 3_677 ?
Al1 Na3 P3 54.22(17) 3_677 3_677 ?
P1 Na3 P3 174.0(4) . 3_677 ?
Na4 Na3 Na3 32.9(5) . 4_585 ?
O6 Na3 Na3 132.6(4) . 4_585 ?
O3 Na3 Na3 77.5(3) 3_677 4_585 ?
O1 Na3 Na3 114.1(3) 3_677 4_585 ?
O7 Na3 Na3 79.6(3) 3_677 4_585 ?
Al2 Na3 Na3 115.5(2) . 4_585 ?
Al1 Na3 Na3 85.3(2) 3_677 4_585 ?
P1 Na3 Na3 127.1(2) . 4_585 ?
P3 Na3 Na3 58.8(2) 3_677 4_585 ?
Na4 Na3 Na1 88.8(6) . . ?
O6 Na3 Na1 78.7(4) . . ?
O3 Na3 Na1 126.5(5) 3_677 . ?
O1 Na3 Na1 127.6(5) 3_677 . ?
O7 Na3 Na1 130.8(4) 3_677 . ?
Al2 Na3 Na1 114.2(4) . . ?
Al1 Na3 Na1 150.0(5) 3_677 . ?
P1 Na3 Na1 59.8(3) . . ?
P3 Na3 Na1 120.2(4) 3_677 . ?
Na3 Na3 Na1 118.3(3) 4_585 . ?
Na4 Na3 Na1 72.2(5) . 3_576 ?
O6 Na3 Na1 73.9(4) . 3_576 ?
O3 Na3 Na1 145.5(5) 3_677 3_576 ?
O1 Na3 Na1 137.3(5) 3_677 3_576 ?
O7 Na3 Na1 113.1(4) 3_677 3_576 ?
Al2 Na3 Na1 109.9(3) . 3_576 ?
Al1 Na3 Na1 170.1(4) 3_677 3_576 ?
P1 Na3 Na1 51.4(2) . 3_576 ?
P3 Na3 Na1 131.2(3) 3_677 3_576 ?
Na3 Na3 Na1 104.7(3) 4_585 3_576 ?
Na1 Na3 Na1 22.7(4) . 3_576 ?
Na3 Na4 Na3 114.3(10) . 4_585 ?
Na3 Na4 O12 121.7(5) . 3_576 ?
Na3 Na4 O12 121.7(5) 4_585 3_576 ?
Na3 Na4 O2 109.6(7) . 3_577 ?
Na3 Na4 O2 109.6(7) 4_585 3_577 ?
O12 Na4 O2 66.3(5) 3_576 3_577 ?
Na3 Na4 Na1 75.6(4) . 3_576 ?
Na3 Na4 Na1 166.9(8) 4_585 3_576 ?
O12 Na4 Na1 46.7(3) 3_576 3_576 ?
O2 Na4 Na1 73.0(4) 3_577 3_576 ?
Na3 Na4 Na1 166.9(8) . 2_556 ?
Na3 Na4 Na1 75.6(4) 4_585 2_556 ?
O12 Na4 Na1 46.7(3) 3_576 2_556 ?
O2 Na4 Na1 73.0(4) 3_577 2_556 ?
Na1 Na4 Na1 93.3(5) 3_576 2_556 ?
Na3 Na4 Na2 91.0(7) . 3_677 ?
Na3 Na4 Na2 91.0(7) 4_585 3_677 ?
O12 Na4 Na2 102.7(6) 3_576 3_677 ?
O2 Na4 Na2 36.4(3) 3_577 3_677 ?
Na1 Na4 Na2 97.6(4) 3_576 3_677 ?
Na1 Na4 Na2 97.6(4) 2_556 3_677 ?
Na3 Na4 Na1 61.0(4) . . ?
Na3 Na4 Na1 157.3(9) 4_585 . ?
O12 Na4 Na1 61.1(3) 3_576 . ?
O2 Na4 Na1 92.3(4) 3_577 . ?
Na1 Na4 Na1 20.7(4) 3_576 . ?
Na1 Na4 Na1 106.4(4) 2_556 . ?
Na2 Na4 Na1 110.9(4) 3_677 . ?
Na3 Na4 Na1 157.3(9) . 4_585 ?
Na3 Na4 Na1 61.0(4) 4_585 4_585 ?
O12 Na4 Na1 61.1(3) 3_576 4_585 ?
O2 Na4 Na1 92.3(4) 3_577 4_585 ?
Na1 Na4 Na1 106.4(4) 3_576 4_585 ?
Na1 Na4 Na1 20.7(4) 2_556 4_585 ?
Na2 Na4 Na1 110.9(4) 3_677 4_585 ?
Na1 Na4 Na1 113.8(6) . 4_585 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.44
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         4.844
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.369
