# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 1999
# CCDC Number: 182/1451
 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 1999-09-07 at 10:29:20
#  Using CIFtbx version 2.6.2 16 Jun 1998
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.1beta3
#  Request file    : c:\wingx\files\archive.dat
#  CIF files read  : stan34nc
 
 
data_stan34nc
 
_audit_creation_date            1999-09-07T10:29:20-00:00
_audit_creation_method         'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.1beta3
_audit_conform_dict_location    ftp://ftp.iucr.org/cifdics/cif_core2.1beta.dic
_publ_requested_category        FM
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_name_systematic
;
 ?
;
_chemical_formula_sum                   'C6 H34 Al3 Cl Li2 O25 P6'
_chemical_formula_weight                822.42
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
 
_cell_length_a                          10.1220(3)
_cell_length_b                          9.4659(2)
_cell_length_c                          15.78490
_cell_angle_alpha                       90
_cell_angle_beta                        95.8050(10)
_cell_angle_gamma                       90
_cell_volume                            1504.66(6)
_cell_formula_units_Z                   2
_cell_measurement_temperature           150(2)
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_density_diffrn           1.815
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    844
_exptl_special_details
;
 ?
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           0.629
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_ambient_temperature             150(2)
_diffrn_radiation_wavelength            0.6894
_diffrn_radiation_type                  synchrotron
_diffrn_radiation_monochromator         'silicon (111)'
_diffrn_reflns_number                   15374
_diffrn_reflns_av_R_equivalents         0.0874
_diffrn_reflns_av_sigmaI/netI           0.0711
_diffrn_reflns_limit_h_min              -13
_diffrn_reflns_limit_h_max              13
_diffrn_reflns_limit_k_min              -13
_diffrn_reflns_limit_k_max              13
_diffrn_reflns_limit_l_min              -22
_diffrn_reflns_limit_l_max              21
_diffrn_reflns_theta_min                2.29
_diffrn_reflns_theta_max                30.46
_diffrn_reflns_theta_full               30.46
_diffrn_measured_fraction_theta_full
                                        0.937
_diffrn_measured_fraction_theta_max
                                        0.937
_reflns_number_total                    8145
_reflns_number_gt                       7936
_reflns_threshold_expression            >2sigma(I)
 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 1997)'
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           mixed
_refine_ls_extinction_method            none
_refine_ls_number_reflns                8145
_refine_ls_number_parameters            382
_refine_ls_number_restraints            1
_refine_ls_R_factor_all                 0.0552
_refine_ls_R_factor_gt                  0.0541
_refine_ls_wR_factor_ref                0.1379
_refine_ls_wR_factor_gt                 0.1368
_refine_ls_goodness_of_fit_ref          0.675
_refine_ls_restrained_S_all             0.675
_refine_ls_shift/su_max                 0.056
_refine_ls_shift/su_mean                0.009
_refine_ls_abs_structure_details
                                    'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack          0.40(12)
_refine_diff_density_max                1.389
_refine_diff_density_min                -0.804
_refine_diff_density_rms                0.146
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
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
P1 P 0.59919(11) 0.02456(12) 0.07226(7) 0.0069(2) Uani 1 1 d . . .
P2 P 0.39520(11) 0.82101(12) -0.57080(6) 0.0068(2) Uani 1 1 d . . .
P3 P 0.41548(11) 0.73120(12) -0.29125(7) 0.0076(2) Uani 1 1 d . . .
P4 P 0.22921(11) 0.00838(13) -0.08223(7) 0.0104(2) Uani 1 1 d . . .
P5 P 0.59240(11) 0.11292(12) -0.20744(7) 0.0070(2) Uani 1 1 d . . .
P6 P 0.77176(12) 0.82968(14) -0.42139(7) 0.0108(2) Uani 1 1 d . . .
C1 C 0.7700(4) 0.0348(6) 0.0515(3) 0.0154(10) Uani 1 1 d . . .
H1A H 0.7751 0.0445 -0.0099 0.023 Uiso 1 1 calc R . .
H1B H 0.8164 -0.0514 0.072 0.023 Uiso 1 1 calc R . .
H1C H 0.8118 0.1169 0.0811 0.023 Uiso 1 1 calc R . .
C2 C 0.2250(5) 0.8212(6) -0.5488(3) 0.0135(9) Uani 1 1 d . . .
H2A H 0.1883 0.9165 -0.5574 0.02 Uiso 1 1 calc R . .
H2B H 0.2194 0.7919 -0.4898 0.02 Uiso 1 1 calc R . .
H2C H 0.1743 0.7552 -0.5874 0.02 Uiso 1 1 calc R . .
C3 C 0.2409(4) 0.7297(6) -0.2825(3) 0.0141(9) Uani 1 1 d . . .
H3A H 0.2203 0.6564 -0.2421 0.021 Uiso 1 1 calc R . .
H3B H 0.1932 0.7098 -0.3384 0.021 Uiso 1 1 calc R . .
H3C H 0.2134 0.822 -0.2624 0.021 Uiso 1 1 calc R . .
C4 C 0.1686(6) -0.0505(7) 0.0133(3) 0.0223(12) Uani 1 1 d . . .
H4A H 0.243 -0.0607 0.0578 0.033 Uiso 1 1 calc R . .
H4B H 0.1243 -0.1419 0.0034 0.033 Uiso 1 1 calc R . .
H4C H 0.1052 0.0186 0.0316 0.033 Uiso 1 1 calc R . .
C5 C 0.7669(4) 0.1091(7) -0.2149(3) 0.0175(10) Uani 1 1 d . . .
H5A H 0.7962 0.0109 -0.2194 0.026 Uiso 1 1 calc R . .
H5B H 0.8133 0.1523 -0.1639 0.026 Uiso 1 1 calc R . .
H5C H 0.7871 0.1618 -0.2654 0.026 Uiso 1 1 calc R . .
C6 C 0.8382(5) 0.8965(6) -0.5140(3) 0.0204(11) Uani 1 1 d . . .
H6A H 0.7655 0.9288 -0.5552 0.031 Uiso 1 1 calc R . .
H6B H 0.8878 0.8216 -0.5397 0.031 Uiso 1 1 calc R . .
H6C H 0.8978 0.9759 -0.498 0.031 Uiso 1 1 calc R . .
O1 O 0.5285(3) -0.0928(3) 0.01713(18) 0.0080(6) Uani 1 1 d . . .
O2 O 0.5964(3) -0.0124(4) 0.16637(19) 0.0079(6) Uani 1 1 d . . .
O3 O 0.5380(3) 0.1684(4) 0.04886(19) 0.0095(6) Uani 1 1 d . . .
O4 O 0.4723(3) 0.9351(4) -0.51653(19) 0.0090(6) Uani 1 1 d . . .
O5 O 0.3958(3) 0.8553(4) -0.66521(19) 0.0100(6) Uani 1 1 d . . .
O6 O 0.4515(3) 0.6725(4) -0.5488(2) 0.0098(6) Uani 1 1 d . . .
O7 O 0.4571(3) 0.5808(4) -0.31717(19) 0.0105(6) Uani 1 1 d . . .
O8 O 0.4394(3) 0.8237(4) -0.36768(19) 0.0095(6) Uani 1 1 d . . .
O9 O 0.4932(3) 0.7759(4) -0.20861(19) 0.0102(6) Uani 1 1 d . . .
O10 O 0.3246(3) -0.0999(4) -0.1116(2) 0.0108(6) Uani 1 1 d . . .
O11 O 0.0973(3) 0.0051(5) -0.1468(2) 0.0194(8) Uani 1 1 d . . .
O12 O 0.2807(4) 0.1578(4) -0.0750(2) 0.0161(7) Uani 1 1 d . . .
O13 O 0.5632(3) 0.0223(4) -0.13024(19) 0.0100(6) Uani 1 1 d . . .
O14 O 0.5517(3) 0.2632(4) -0.18285(19) 0.0103(6) Uani 1 1 d . . .
O15 O 0.5159(3) 0.0668(4) -0.29052(19) 0.0104(6) Uani 1 1 d . . .
O16 O 0.6851(3) -0.2284(4) -0.0838(2) 0.0131(6) Uani 1 1 d . . .
O17 O 0.6826(3) 0.9398(4) -0.3882(2) 0.0139(7) Uani 1 1 d . . .
O18 O 0.8966(4) 0.8073(5) -0.3522(2) 0.0218(8) Uani 1 1 d . . .
O19 O 0.7106(4) 0.6848(4) -0.4366(2) 0.0145(7) Uani 1 1 d . . .
O20 O 0.3469(3) 0.3264(4) -0.3028(2) 0.0122(6) Uani 1 1 d . . .
O21 O 0.6595(3) 0.5216(4) -0.1988(2) 0.0122(6) Uani 1 1 d . . .
O22 O 0.3246(3) 1.0790(4) -0.4116(2) 0.0127(6) Uani 1 1 d . . .
O23 O -0.0871(4) -0.4455(5) -0.2479(3) 0.0306(9) Uani 1 1 d . . .
O24 O 0.1122(5) 0.3353(5) -0.2246(3) 0.0355(10) Uani 1 1 d . . .
Cl1 Cl 1.06033(11) 1.07145(15) -0.33449(7) 0.0215(2) Uani 1 1 d . . .
O28 O -0.0712(4) -0.2252(5) -0.1294(3) 0.0360(10) Uani 1 1 d . . .
Li1 Li 0.5270(11) -0.2847(14) 0.0739(7) 0.03 Uiso 1 1 d . . .
Li2 Li 0.5260(11) 0.6285(14) -0.4279(7) 0.03 Uiso 1 1 d . . .
Al6 Al 0.50201(13) -0.15279(15) -0.09864(8) 0.0080(3) Uani 1 1 d . . .
Al8 Al 0.50466(16) 0.4214(2) -0.25065(10) 0.00753(18) Uani 1 1 d . . .
Al9 Al 0.50599(13) 0.99664(15) -0.40035(8) 0.0078(2) Uani 1 1 d . . .
 
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_23
    _atom_site_aniso_U_13
    _atom_site_aniso_U_12
P1 0.0105(4) 0.0048(5) 0.0053(4) 0.0000(4) 0.0001(4) 0.0004(4)
P2 0.0105(4) 0.0058(5) 0.0041(4) 0.0004(4) 0.0004(3) 0.0002(4)
P3 0.0124(5) 0.0052(5) 0.0050(4) 0.0009(4) 0.0007(4) 0.0005(4)
P4 0.0116(5) 0.0087(5) 0.0106(5) -0.0014(4) -0.0005(4) -0.0001(4)
P5 0.0119(5) 0.0046(5) 0.0044(4) -0.0002(4) -0.0001(3) 0.0003(4)
P6 0.0112(5) 0.0114(6) 0.0093(5) -0.0025(4) -0.0012(4) 0.0007(4)
C1 0.0070(17) 0.021(3) 0.018(2) 0.0026(19) 0.0002(15) 0.0017(17)
C2 0.019(2) 0.013(2) 0.0097(19) -0.0023(16) 0.0059(15) -0.0035(17)
C3 0.015(2) 0.015(2) 0.012(2) 0.0009(18) 0.0005(15) 0.0005(18)
C4 0.027(3) 0.030(3) 0.009(2) -0.002(2) 0.0015(18) -0.005(2)
C5 0.0106(19) 0.026(3) 0.016(2) 0.003(2) 0.0021(16) 0.0036(19)
C6 0.023(2) 0.018(3) 0.021(2) 0.000(2) 0.0095(19) -0.006(2)
O1 0.0156(14) 0.0039(14) 0.0038(13) 0.0005(11) -0.0021(10) -0.0011(12)
O2 0.0114(13) 0.0072(15) 0.0053(12) -0.0038(11) 0.0008(10) -0.0027(12)
O3 0.0186(15) 0.0041(14) 0.0054(13) 0.0003(11) -0.0006(11) 0.0016(12)
O4 0.0120(14) 0.0092(16) 0.0059(13) -0.0008(12) 0.0014(10) -0.0019(13)
O5 0.0178(14) 0.0083(16) 0.0040(12) 0.0032(12) 0.0010(11) 0.0010(12)
O6 0.0146(14) 0.0066(15) 0.0082(14) 0.0003(12) 0.0004(11) 0.0037(12)
O7 0.0187(15) 0.0052(15) 0.0075(13) -0.0005(12) 0.0011(11) 0.0040(12)
O8 0.0176(15) 0.0037(14) 0.0069(13) 0.0029(12) -0.0009(11) -0.0031(13)
O9 0.0181(15) 0.0092(15) 0.0025(12) -0.0006(12) -0.0022(11) -0.0027(13)
O10 0.0104(14) 0.0061(15) 0.0150(15) -0.0002(12) -0.0028(11) 0.0028(11)
O11 0.0154(15) 0.028(2) 0.0135(15) 0.0003(13) -0.0052(12) 0.0058(14)
O12 0.0161(16) 0.0104(16) 0.0220(17) -0.0037(13) 0.0029(13) -0.0016(13)
O13 0.0179(15) 0.0086(16) 0.0038(13) -0.0001(11) 0.0021(11) -0.0006(13)
O14 0.0192(15) 0.0057(15) 0.0057(13) 0.0007(12) 0.0005(11) 0.0003(13)
O15 0.0179(14) 0.0073(14) 0.0055(12) -0.0006(12) -0.0012(11) 0.0003(13)
O16 0.0127(14) 0.0152(17) 0.0114(14) 0.0052(13) 0.0010(11) 0.0042(13)
O17 0.0131(15) 0.0152(18) 0.0127(15) -0.0059(13) -0.0023(12) 0.0019(13)
O18 0.0148(15) 0.024(2) 0.0252(17) -0.0028(15) -0.0076(13) 0.0059(14)
O19 0.0171(16) 0.0100(16) 0.0162(16) -0.0037(12) 0.0003(12) -0.0020(13)
O20 0.0136(14) 0.0112(16) 0.0117(14) -0.0028(13) 0.0001(11) -0.0038(13)
O21 0.0151(14) 0.0087(16) 0.0123(15) -0.0008(12) -0.0004(12) 0.0013(13)
O22 0.0152(14) 0.0122(16) 0.0112(14) 0.0012(13) 0.0038(11) 0.0012(13)
O23 0.0267(18) 0.026(2) 0.041(2) 0.0013(17) 0.0109(16) 0.0003(16)
O24 0.037(2) 0.030(2) 0.042(2) -0.0134(19) 0.0154(19) -0.0070(18)
Cl1 0.0180(5) 0.0247(6) 0.0215(5) 0.0005(5) 0.0007(4) -0.0025(4)
O28 0.0205(18) 0.026(2) 0.061(3) 0.004(2) 0.0008(19) -0.0075(16)
Al6 0.0133(6) 0.0059(6) 0.0047(5) -0.0001(5) 0.0006(4) 0.0015(5)
Al8 0.0126(4) 0.0049(4) 0.0049(4) 0.0000(3) -0.0003(3) 0.0004(3)
Al9 0.0125(6) 0.0051(6) 0.0055(5) -0.0001(5) -0.0002(4) -0.0011(5)
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_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
P1 O3 1.526(4) . ?
P1 O2 1.529(3) . ?
P1 O1 1.542(3) . ?
P1 C1 1.795(4) . ?
P1 Li1 3.018(13) . ?
P2 O5 1.526(3) . ?
P2 O4 1.541(3) . ?
P2 O6 1.543(4) . ?
P2 C2 1.791(5) . ?
P2 Li2 3.019(13) 2_654 ?
P2 Li2 3.091(12) . ?
P3 O9 1.514(3) . ?
P3 O8 1.530(3) . ?
P3 O7 1.551(4) . ?
P3 C3 1.786(5) . ?
P3 Li2 2.709(11) . ?
P4 O12 1.508(4) . ?
P4 O10 1.513(4) . ?
P4 O11 1.596(4) . ?
P4 C4 1.774(5) . ?
P5 O15 1.518(3) . ?
P5 O14 1.541(4) . ?
P5 O13 1.543(3) . ?
P5 C5 1.782(5) . ?
P5 Li1 2.713(11) 2_655 ?
P6 O17 1.507(4) . ?
P6 O19 1.514(4) . ?
P6 O18 1.598(4) . ?
P6 C6 1.786(5) . ?
P6 Li2 3.126(12) . ?
O1 Al6 1.907(3) . ?
O1 Li1 2.026(13) . ?
O2 Al8 1.867(4) 2_645 ?
O3 Al6 1.926(4) 2_655 ?
O3 Li1 2.031(12) 2_655 ?
O4 Al9 1.922(3) . ?
O4 Li2 2.031(13) 2_654 ?
O5 Al8 1.855(4) 2_654 ?
O6 Al9 1.916(4) 2_644 ?
O6 Li2 2.023(12) . ?
O7 Al8 1.873(4) . ?
O7 Li2 1.999(12) . ?
O8 Al9 1.863(4) . ?
O8 Li2 2.293(13) . ?
O9 Al6 1.856(3) 1_565 ?
O10 Al6 1.855(3) . ?
O12 Li1 2.019(12) 2_655 ?
O13 Al6 1.856(4) . ?
O13 Li1 2.265(13) 2_655 ?
O14 Al8 1.874(4) . ?
O14 Li1 2.019(12) 2_655 ?
O15 Al9 1.850(3) 1_545 ?
O16 Al6 1.979(3) . ?
O17 Al9 1.858(4) . ?
O19 Li2 1.961(12) . ?
O20 Al8 1.941(4) . ?
O21 Al8 1.941(4) . ?
O22 Al9 1.986(4) . ?
Li1 O14 2.019(12) 2_645 ?
Li1 O12 2.019(12) 2_645 ?
Li1 O3 2.031(12) 2_645 ?
Li1 O13 2.265(13) 2_645 ?
Li1 P5 2.713(11) 2_645 ?
Li1 Al6 2.983(12) . ?
Li2 O4 2.031(13) 2_644 ?
Li2 Al9 2.972(12) 2_644 ?
Li2 P2 3.019(13) 2_644 ?
Al6 O9 1.856(3) 1_545 ?
Al6 O3 1.926(4) 2_645 ?
Al8 O5 1.855(4) 2_644 ?
Al8 O2 1.867(4) 2_655 ?
Al9 O15 1.850(3) 1_565 ?
Al9 O6 1.916(4) 2_654 ?
Al9 Li2 2.972(12) 2_654 ?
 
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 O2 113.11(18) . . ?
O3 P1 O1 110.62(18) . . ?
O2 P1 O1 109.29(18) . . ?
O3 P1 C1 106.4(2) . . ?
O2 P1 C1 107.6(2) . . ?
O1 P1 C1 109.7(2) . . ?
O3 P1 Li1 140.8(3) . . ?
O2 P1 Li1 75.0(3) . . ?
O1 P1 Li1 37.5(3) . . ?
C1 P1 Li1 107.0(3) . . ?
O5 P2 O4 110.02(19) . . ?
O5 P2 O6 112.03(19) . . ?
O4 P2 O6 111.00(19) . . ?
O5 P2 C2 106.7(2) . . ?
O4 P2 C2 109.6(2) . . ?
O6 P2 C2 107.3(2) . . ?
O5 P2 Li2 76.2(3) . 2_654 ?
O4 P2 Li2 37.7(3) . 2_654 ?
O6 P2 Li2 142.0(2) . 2_654 ?
C2 P2 Li2 105.1(3) . 2_654 ?
O5 P2 Li2 142.6(3) . . ?
O4 P2 Li2 81.5(3) . . ?
O6 P2 Li2 34.7(3) . . ?
C2 P2 Li2 102.0(3) . . ?
Li2 P2 Li2 118.63(18) 2_654 . ?
O9 P3 O8 114.20(19) . . ?
O9 P3 O7 110.6(2) . . ?
O8 P3 O7 104.41(18) . . ?
O9 P3 C3 111.6(2) . . ?
O8 P3 C3 107.6(2) . . ?
O7 P3 C3 108.1(2) . . ?
O9 P3 Li2 124.5(3) . . ?
O8 P3 Li2 57.8(3) . . ?
O7 P3 Li2 46.8(3) . . ?
C3 P3 Li2 123.3(3) . . ?
O12 P4 O10 115.6(2) . . ?
O12 P4 O11 109.1(2) . . ?
O10 P4 O11 108.1(2) . . ?
O12 P4 C4 112.2(3) . . ?
O10 P4 C4 109.5(3) . . ?
O11 P4 C4 101.4(2) . . ?
O15 P5 O14 110.9(2) . . ?
O15 P5 O13 113.63(19) . . ?
O14 P5 O13 103.70(18) . . ?
O15 P5 C5 111.1(2) . . ?
O14 P5 C5 109.1(2) . . ?
O13 P5 C5 108.1(2) . . ?
O15 P5 Li1 123.1(3) . 2_655 ?
O14 P5 Li1 47.4(3) . 2_655 ?
O13 P5 Li1 56.6(3) . 2_655 ?
C5 P5 Li1 125.5(3) . 2_655 ?
O17 P6 O19 115.6(2) . . ?
O17 P6 O18 108.3(2) . . ?
O19 P6 O18 105.7(2) . . ?
O17 P6 C6 109.1(2) . . ?
O19 P6 C6 111.9(2) . . ?
O18 P6 C6 105.6(2) . . ?
O17 P6 Li2 86.0(3) . . ?
O19 P6 Li2 29.7(3) . . ?
O18 P6 Li2 120.9(3) . . ?
C6 P6 Li2 123.6(3) . . ?
P1 O1 Al6 140.2(2) . . ?
P1 O1 Li1 114.8(4) . . ?
Al6 O1 Li1 98.6(4) . . ?
P1 O2 Al8 146.5(2) . 2_645 ?
P1 O3 Al6 141.5(2) . 2_655 ?
P1 O3 Li1 120.7(4) . 2_655 ?
Al6 O3 Li1 97.8(4) 2_655 2_655 ?
P2 O4 Al9 140.7(2) . . ?
P2 O4 Li2 114.7(4) . 2_654 ?
Al9 O4 Li2 97.5(4) . 2_654 ?
P2 O5 Al8 145.8(2) . 2_654 ?
P2 O6 Al9 142.3(2) . 2_644 ?
P2 O6 Li2 119.6(4) . . ?
Al9 O6 Li2 97.9(4) 2_644 . ?
P3 O7 Al8 130.75(19) . . ?
P3 O7 Li2 98.7(4) . . ?
Al8 O7 Li2 125.4(4) . . ?
P3 O8 Al9 144.3(2) . . ?
P3 O8 Li2 87.9(3) . . ?
Al9 O8 Li2 115.4(3) . . ?
P3 O9 Al6 151.6(2) . 1_565 ?
P4 O10 Al6 142.1(2) . . ?
P4 O12 Li1 125.4(4) . 2_655 ?
P5 O13 Al6 143.6(2) . . ?
P5 O13 Li1 88.8(3) . 2_655 ?
Al6 O13 Li1 117.1(3) . 2_655 ?
P5 O14 Al8 130.7(2) . . ?
P5 O14 Li1 98.4(4) . 2_655 ?
Al8 O14 Li1 124.5(4) . 2_655 ?
P5 O15 Al9 152.6(2) . 1_545 ?
P6 O17 Al9 140.2(2) . . ?
P6 O19 Li2 127.8(4) . . ?
O1 Li1 O14 101.3(6) . 2_645 ?
O1 Li1 O12 101.3(5) . 2_645 ?
O14 Li1 O12 121.0(6) 2_645 2_645 ?
O1 Li1 O3 77.9(4) . 2_645 ?
O14 Li1 O3 138.1(6) 2_645 2_645 ?
O12 Li1 O3 99.7(5) 2_645 2_645 ?
O1 Li1 O13 156.7(6) . 2_645 ?
O14 Li1 O13 68.7(4) 2_645 2_645 ?
O12 Li1 O13 101.9(5) 2_645 2_645 ?
O3 Li1 O13 95.4(5) 2_645 2_645 ?
O1 Li1 P5 133.4(6) . 2_645 ?
O14 Li1 P5 34.2(2) 2_645 2_645 ?
O12 Li1 P5 113.7(5) 2_645 2_645 ?
O3 Li1 P5 122.4(5) 2_645 2_645 ?
O13 Li1 P5 34.64(18) 2_645 2_645 ?
O1 Li1 Al6 39.2(2) . . ?
O14 Li1 Al6 132.8(6) 2_645 . ?
O12 Li1 Al6 96.5(4) 2_645 . ?
O3 Li1 Al6 39.8(2) 2_645 . ?
O13 Li1 Al6 134.1(5) 2_645 . ?
P5 Li1 Al6 148.8(4) 2_645 . ?
O1 Li1 P1 27.6(2) . . ?
O14 Li1 P1 84.6(4) 2_645 . ?
O12 Li1 P1 91.6(4) 2_645 . ?
O3 Li1 P1 105.0(5) 2_645 . ?
O13 Li1 P1 153.3(5) 2_645 . ?
P5 Li1 P1 118.7(4) 2_645 . ?
Al6 Li1 P1 65.5(3) . . ?
O19 Li2 O7 122.8(6) . . ?
O19 Li2 O6 98.4(5) . . ?
O7 Li2 O6 137.9(6) . . ?
O19 Li2 O4 99.5(5) . 2_644 ?
O7 Li2 O4 101.1(6) . 2_644 ?
O6 Li2 O4 78.3(4) . 2_644 ?
O19 Li2 O8 102.5(6) . . ?
O7 Li2 O8 68.7(4) . . ?
O6 Li2 O8 96.0(5) . . ?
O4 Li2 O8 157.8(6) 2_644 . ?
O19 Li2 P3 115.5(5) . . ?
O7 Li2 P3 34.5(2) . . ?
O6 Li2 P3 122.2(5) . . ?
O4 Li2 P3 133.6(5) 2_644 . ?
O8 Li2 P3 34.35(18) . . ?
O19 Li2 Al9 93.9(4) . 2_644 ?
O7 Li2 Al9 133.4(6) . 2_644 ?
O6 Li2 Al9 39.7(2) . 2_644 ?
O4 Li2 Al9 39.9(2) 2_644 2_644 ?
O8 Li2 Al9 134.9(5) . 2_644 ?
P3 Li2 Al9 149.5(4) . 2_644 ?
O19 Li2 P2 90.4(4) . 2_644 ?
O7 Li2 P2 84.5(4) . 2_644 ?
O6 Li2 P2 105.4(5) . 2_644 ?
O4 Li2 P2 27.6(2) 2_644 2_644 ?
O8 Li2 P2 153.2(5) . 2_644 ?
P3 Li2 P2 118.8(4) . 2_644 ?
Al9 Li2 P2 66.0(3) 2_644 2_644 ?
O19 Li2 P2 97.5(5) . . ?
O7 Li2 P2 127.6(5) . . ?
O6 Li2 P2 25.7(2) . . ?
O4 Li2 P2 103.8(4) 2_644 . ?
O8 Li2 P2 71.0(3) . . ?
P3 Li2 P2 100.9(4) . . ?
Al9 Li2 P2 65.4(2) 2_644 . ?
P2 Li2 P2 131.1(4) 2_644 . ?
O19 Li2 P6 22.5(2) . . ?
O7 Li2 P6 117.1(5) . . ?
O6 Li2 P6 97.2(4) . . ?
O4 Li2 P6 121.5(5) 2_644 . ?
O8 Li2 P6 80.3(4) . . ?
P3 Li2 P6 98.4(4) . . ?
Al9 Li2 P6 107.4(3) 2_644 . ?
P2 Li2 P6 112.2(3) 2_644 . ?
P2 Li2 P6 86.9(3) . . ?
O13 Al6 O10 94.32(16) . . ?
O13 Al6 O9 93.41(15) . 1_545 ?
O10 Al6 O9 92.32(15) . 1_545 ?
O13 Al6 O1 88.46(15) . . ?
O10 Al6 O1 93.78(15) . . ?
O9 Al6 O1 173.47(17) 1_545 . ?
O13 Al6 O3 169.83(16) . 2_645 ?
O10 Al6 O3 92.36(16) . 2_645 ?
O9 Al6 O3 93.98(16) 1_545 2_645 ?
O1 Al6 O3 83.45(14) . 2_645 ?
O13 Al6 O16 91.19(16) . . ?
O10 Al6 O16 174.39(18) . . ?
O9 Al6 O16 86.29(15) 1_545 . ?
O1 Al6 O16 87.42(15) . . ?
O3 Al6 O16 82.33(16) 2_645 . ?
O13 Al6 Li1 128.3(3) . . ?
O10 Al6 Li1 101.8(2) . . ?
O9 Al6 Li1 133.9(3) 1_545 . ?
O1 Al6 Li1 42.2(3) . . ?
O3 Al6 Li1 42.4(3) 2_645 . ?
O16 Al6 Li1 75.4(2) . . ?
O5 Al8 O2 179.6(2) 2_644 2_655 ?
O5 Al8 O7 89.89(16) 2_644 . ?
O2 Al8 O7 90.04(15) 2_655 . ?
O5 Al8 O14 90.80(16) 2_644 . ?
O2 Al8 O14 89.26(15) 2_655 . ?
O7 Al8 O14 179.3(2) . . ?
O5 Al8 O21 89.61(16) 2_644 . ?
O2 Al8 O21 90.75(15) 2_655 . ?
O7 Al8 O21 89.64(17) . . ?
O14 Al8 O21 90.11(16) . . ?
O5 Al8 O20 91.33(16) 2_644 . ?
O2 Al8 O20 88.32(15) 2_655 . ?
O7 Al8 O20 88.95(17) . . ?
O14 Al8 O20 91.30(17) . . ?
O21 Al8 O20 178.3(2) . . ?
O15 Al9 O17 92.68(15) 1_565 . ?
O15 Al9 O8 92.45(16) 1_565 . ?
O17 Al9 O8 95.08(17) . . ?
O15 Al9 O6 95.01(16) 1_565 2_654 ?
O17 Al9 O6 92.32(17) . 2_654 ?
O8 Al9 O6 169.23(16) . 2_654 ?
O15 Al9 O4 172.27(16) 1_565 . ?
O17 Al9 O4 94.98(15) . . ?
O8 Al9 O4 87.91(15) . . ?
O6 Al9 O4 83.67(15) 2_654 . ?
O15 Al9 O22 84.53(15) 1_565 . ?
O17 Al9 O22 173.68(19) . . ?
O8 Al9 O22 90.71(16) . . ?
O6 Al9 O22 82.29(16) 2_654 . ?
O4 Al9 O22 87.74(14) . . ?
O15 Al9 Li2 134.0(3) 1_565 2_654 ?
O17 Al9 Li2 103.3(2) . 2_654 ?
O8 Al9 Li2 127.8(3) . 2_654 ?
O6 Al9 Li2 42.4(3) 2_654 2_654 ?
O4 Al9 Li2 42.7(3) . 2_654 ?
O22 Al9 Li2 74.9(2) . 2_654 ?