#------------------------------------------------------------------------------
#$Date: 2017-09-11 09:26:27 +0300 (Mon, 11 Sep 2017) $
#$Revision: 200438 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/42/4324243.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_4324243
loop_
_publ_author_name
'Zhong Sun'
'Hui Wang'
'Hong-Ge-Er Tong'
'Shao-Fan Sun'
_publ_contact_author
;
    Zhong Sun
    College of Chemistry and Chemical Engineering
    Inner Mongolia University
    235 West University Road
    Hohhot 010021
    P. R. China
;
_publ_contact_author_email       cesz2008@126.com
_publ_contact_author_fax         +86-471-4992981
_publ_contact_author_phone       +86-471-4990061-60318
_publ_section_title
;
 A Giant Polyaluminum Species S-Al32 and Two Aluminum Polyoxocations
 Involving Coordination by Sulfate Ions S-Al32 and S-K-Al13
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              559
_journal_page_last               564
_journal_paper_doi               10.1021/ic101875r
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'Al13 H55 O56 S3'
_chemical_formula_weight         1398.36
_chemical_name_common            'polyaluminum sulphate'
_chemical_name_systematic        'polyaluminum sulphate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.99(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.799(7)
_cell_length_b                   11.637(4)
_cell_length_c                   22.864(6)
_cell_measurement_reflns_used    8053
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.47
_cell_volume                     4642(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0995
_diffrn_reflns_av_sigmaI/netI    0.1579
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22636
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    0.554
_exptl_absorpt_correction_T_max  0.9166
_exptl_absorpt_correction_T_min  0.8973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.558
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         8183
_refine_ls_number_restraints     206
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.2210
_refine_ls_R_factor_gt           0.0904
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1649
_reflns_number_gt                3736
_reflns_number_total             8183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101875r_si_001_1.cif
_cod_data_source_block           Al52H220O224S12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

2017-09-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'Al52 H220 O224 S12'
_cod_original_formula_weight         5593.44
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4324243
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.5000 0.5965(2) 0.7500 0.0080(5) Uani 1 2 d S . .
Al2 Al 0.55954(13) 0.51009(19) 0.64333(11) 0.0148(6) Uani 1 1 d . . .
Al3 Al 0.44432(15) 0.6877(2) 0.58767(12) 0.0230(7) Uani 1 1 d . C .
Al4 Al 0.43983(16) 0.8698(2) 0.67519(13) 0.0293(5) Uani 1 1 d . . .
Al5 Al 0.32297(16) 0.6860(2) 0.61779(13) 0.0293(5) Uani 1 1 d . . .
Al6 Al 0.32071(13) 0.50881(19) 0.70554(11) 0.0136(6) Uani 1 1 d . . .
Al7 Al 0.44020(13) 0.32691(19) 0.76560(11) 0.0144(6) Uani 1 1 d . . .
Al8 Al 0.0000 0.8022(2) 0.2500 0.0080(5) Uani 1 2 d S . .
Al9 Al 0.05959(14) 0.5299(2) 0.23495(12) 0.0227(7) Uani 1 1 d . . .
Al10 Al 0.17685(13) 0.71104(19) 0.29357(11) 0.0171(6) Uani 1 1 d . . .
Al11 Al 0.17764(12) 0.88961(18) 0.38350(11) 0.0106(5) Uani 1 1 d . . .
Al12 Al 0.05859(13) 1.07409(18) 0.32451(11) 0.0142(6) Uani 1 1 d . . .
Al13 Al 0.05640(13) 0.89211(19) 0.41400(11) 0.0158(6) Uani 1 1 d . . .
Al14 Al -0.05853(14) 0.7126(2) 0.35732(12) 0.0229(7) Uani 1 1 d . . .
O1 O 0.4388(3) 0.6863(4) 0.6732(2) 0.0219(8) Uani 1 1 d . . .
O2 O 0.4392(3) 0.5054(4) 0.7665(2) 0.0189(9) Uani 1 1 d . . .
O3 O 0.4553(3) 0.5292(4) 0.5868(2) 0.0219(8) Uani 1 1 d . . .
H3 H 0.4220 0.4802 0.5662 0.026 Uiso 1 1 calc R . .
O4 O 0.3144(3) 0.5302(4) 0.6220(2) 0.0219(8) Uani 1 1 d . . .
H4 H 0.3091 0.4814 0.5938 0.026 Uiso 1 1 calc R . .
O5 O 0.4523(3) 0.3139(4) 0.6889(2) 0.0174(13) Uani 1 1 d . . .
H5 H 0.4196 0.3050 0.6474 0.021 Uiso 1 1 calc R . .
O6 O 0.5514(3) 0.6697(4) 0.6384(2) 0.0189(9) Uani 1 1 d . . .
H6 H 0.5852 0.7186 0.6540 0.023 Uiso 1 1 calc R . .
O7 O 0.3162(3) 0.6673(4) 0.6947(3) 0.0324(11) Uani 1 1 d . . .
H7 H 0.3122 0.7167 0.7181 0.039 Uiso 1 1 calc R . .
O8 O 0.4521(3) 0.8785(4) 0.7615(3) 0.0324(11) Uani 1 1 d . . .
H8 H 0.4189 0.8847 0.7703 0.039 Uiso 1 1 calc R . .
O9 O 0.4435(3) 0.8491(5) 0.5968(3) 0.0368(11) Uani 1 1 d . . .
H9 H 0.4445 0.8985 0.5718 0.044 Uiso 1 1 calc R . .
O10 O 0.3365(3) 0.8440(4) 0.6255(3) 0.0300(10) Uani 1 1 d . . .
H10 H 0.3027 0.8929 0.6096 0.036 Uiso 1 1 calc R . .
O11 O 0.3333(3) 0.5117(4) 0.7949(3) 0.0300(10) Uani 1 1 d . . .
H11 H 0.3002 0.5133 0.8040 0.036 Uiso 1 1 calc R . .
O12 O 0.3368(3) 0.6820(4) 0.5404(3) 0.0368(11) Uani 1 1 d . . .
H12 H 0.3045 0.6787 0.4984 0.044 Uiso 1 1 calc R . .
O13 O 0.3362(3) 0.3506(4) 0.7099(3) 0.0319(15) Uani 1 1 d . . .
H13 H 0.3030 0.3010 0.6907 0.038 Uiso 1 1 calc R . .
O14 O 0.4427(3) 0.3508(4) 0.8488(2) 0.0224(14) Uani 1 1 d . . .
H14 H 0.4444 0.3020 0.8755 0.027 Uiso 1 1 calc R . .
O15 O 0.2096(3) 0.4887(5) 0.6608(3) 0.0378(16) Uani 1 1 d . . .
H15B H 0.2001 0.4205 0.6616 0.045 Uiso 1 1 calc R . .
H15A H 0.1882 0.5505 0.6449 0.045 Uiso 1 1 d R . .
O16 O 0.2127(3) 0.7041(5) 0.5541(3) 0.0437(18) Uani 1 1 d . . .
H16B H 0.1914 0.6888 0.5745 0.052 Uiso 1 1 calc R . .
H16A H 0.2018 0.7267 0.5157 0.052 Uiso 1 1 d R . .
O17 O 0.5703(4) 0.5024(4) 0.5640(3) 0.0519(14) Uani 1 1 d . . .
H17B H 0.6094 0.4668 0.5750 0.062 Uiso 1 1 calc R . .
H17A H 0.5368 0.5405 0.5313 0.062 Uiso 1 1 d R . .
O18 O 0.4276(3) 0.1602(4) 0.7714(3) 0.0362(16) Uani 1 1 d . . .
H18B H 0.4653 0.1346 0.8070 0.043 Uiso 1 1 calc R . .
H18A H 0.3868 0.1394 0.7368 0.043 Uiso 1 1 d R . .
O19 O 0.4272(4) 1.0345(4) 0.6589(3) 0.0519(14) Uani 1 1 d . . .
H19B H 0.4333 1.0512 0.6273 0.062 Uiso 1 1 calc R . .
H19A H 0.4157 1.0650 0.6842 0.062 Uiso 1 1 d R . .
O20 O 0.4370(3) 0.7132(5) 0.4973(3) 0.0435(18) Uani 1 1 d D . .
H20 H 0.4180 0.6619 0.4680 0.052 Uiso 0.50 1 calc PR A 1
O21 O 0.0617(3) 0.8930(4) 0.3276(2) 0.0175(12) Uani 1 1 d . . .
O22 O -0.0615(3) 0.7078(4) 0.2661(2) 0.0157(13) Uani 1 1 d . . .
O23 O 0.1861(3) 0.8698(4) 0.3065(2) 0.0190(9) Uani 1 1 d . . .
H23 H 0.1923 0.9187 0.2842 0.023 Uiso 1 1 calc R . .
O24 O 0.0467(3) 1.0893(4) 0.2374(2) 0.0190(9) Uani 1 1 d . . .
H24 H 0.0797 1.1001 0.2288 0.023 Uiso 1 1 calc R . .
O25 O -0.0501(3) 0.8695(4) 0.3675(2) 0.0204(9) Uani 1 1 d . . .
H25 H -0.0841 0.9175 0.3550 0.024 Uiso 1 1 calc R . .
O26 O 0.1814(3) 0.7262(4) 0.3784(2) 0.0204(9) Uani 1 1 d . . .
H26 H 0.1842 0.6766 0.4052 0.024 Uiso 1 1 calc R . .
O27 O 0.0478(3) 0.7297(4) 0.4133(2) 0.0240(14) Uani 1 1 d . . .
H27 H 0.0815 0.6807 0.4323 0.029 Uiso 1 1 calc R . .
O28 O -0.0455(3) 0.5192(4) 0.1895(3) 0.0322(11) Uani 1 1 d . . .
H28 H -0.0778 0.5118 0.1477 0.039 Uiso 1 1 calc R . .
O29 O -0.0538(3) 0.5530(4) 0.3480(2) 0.0322(11) Uani 1 1 d . . .
H29 H -0.0500 0.5034 0.3752 0.039 Uiso 1 1 calc R . .
O30 O 0.1646(3) 0.8843(4) 0.4599(2) 0.0239(10) Uani 1 1 d . . .
H30 H 0.1973 0.8799 0.5017 0.029 Uiso 1 1 calc R . .
O31 O 0.1652(3) 0.5542(4) 0.2896(2) 0.0239(10) Uani 1 1 d . . .
H31 H 0.1991 0.5055 0.3079 0.029 Uiso 1 1 calc R . .
O32 O 0.1650(3) 1.0485(4) 0.3725(2) 0.0224(13) Uani 1 1 d . . .
H32 H 0.1987 1.0971 0.3857 0.027 Uiso 1 1 calc R . .
O33 O 0.0528(3) 1.0503(4) 0.4019(2) 0.0204(13) Uani 1 1 d . . .
H33 H 0.0494 1.0995 0.4257 0.024 Uiso 1 1 calc R . .
O34 O -0.1664(3) 0.7163(4) 0.2940(2) 0.0267(14) Uani 1 1 d . . .
H34 H -0.2000 0.7193 0.3024 0.032 Uiso 1 1 calc R . .
O35 O 0.0667(3) 0.9119(4) 0.5039(2) 0.0286(15) Uani 1 1 d . . .
H35B H 0.0251 0.9008 0.4990 0.034 Uiso 1 1 calc R . .
H35A H 0.1086 0.9399 0.5325 0.034 Uiso 1 1 d R . .
O36 O 0.2885(3) 0.9024(4) 0.4506(2) 0.0281(10) Uani 1 1 d . . .
H36B H 0.2993 0.9684 0.4654 0.034 Uiso 1 1 calc R . .
H36A H 0.3091 0.8405 0.4538 0.034 Uiso 1 1 d R . .
O37 O 0.2895(3) 0.6936(4) 0.3408(2) 0.0281(10) Uani 1 1 d . . .
H37B H 0.3005 0.6251 0.3459 0.034 Uiso 1 1 calc R . .
H37A H 0.3101 0.7565 0.3544 0.034 Uiso 1 1 d R . .
O38 O 0.0719(3) 0.3623(4) 0.2310(3) 0.0429(17) Uani 1 1 d . . .
H38B H 0.0297 0.3326 0.2057 0.051 Uiso 1 1 calc R . .
H38A H 0.1170 0.3449 0.2585 0.051 Uiso 1 1 d R . .
O39 O 0.0727(3) 1.2415(4) 0.3424(2) 0.0279(15) Uani 1 1 d . . .
H39B H 0.0810 1.2550 0.3811 0.033 Uiso 1 1 calc R . .
H39A H 0.0597 1.2762 0.3064 0.033 Uiso 1 1 d R . .
O40 O -0.0707(4) 0.6900(5) 0.4334(3) 0.057(2) Uani 1 1 d D . .
H40 H -0.1147 0.6651 0.4123 0.068 Uiso 0.50 1 calc PR B 3
S1 S 0.4641(6) 0.8199(8) 0.4795(5) 0.141(3) Uani 0.50 1 d PDU C 1
O41 O 0.4956(7) 0.9130(10) 0.5308(6) 0.074(3) Uani 0.50 1 d PDU C 1
O42 O 0.5242(7) 0.7924(11) 0.4638(7) 0.074(3) Uani 0.50 1 d PDU C 1
O43 O 0.3937(7) 0.8667(12) 0.4120(6) 0.106(6) Uani 0.50 1 d PDU C 1
S2 S -0.0537(4) 0.6879(5) 0.5015(4) 0.079(2) Uani 0.50 1 d PDU D 3
O44 O 0.0075(8) 0.7746(12) 0.5520(7) 0.096(5) Uani 0.50 1 d PDU D 3
O45 O -0.1206(8) 0.6926(14) 0.5077(8) 0.114(6) Uani 0.50 1 d PDU D 3
O46 O -0.0105(12) 0.5705(13) 0.5348(9) 0.203(11) Uani 0.50 1 d PDU D 3
S3 S 0.23465(19) 0.9847(3) 0.69358(17) 0.0778(10) Uani 1 1 d D E 4
O47 O 0.2071(4) 0.9516(7) 0.6217(4) 0.099(3) Uani 1 1 d D E 4
O48 O 0.1697(4) 0.9701(6) 0.7040(3) 0.071(2) Uani 1 1 d D E 4
O49 O 0.2983(5) 0.8997(8) 0.7402(5) 0.141(4) Uani 1 1 d D E 4
O50 O 0.2636(5) 1.1056(7) 0.7097(5) 0.140(4) Uani 1 1 d DU E 4
S4 S 0.7168(2) 0.3602(3) 0.03593(16) 0.0899(12) Uani 1 1 d DU F 5
O51 O 0.7107(9) 0.4490(13) 0.0765(7) 0.060(5) Uani 0.43 1 d PDU F 5
O51' O 0.6618(7) 0.3247(10) 0.0607(6) 0.074(4) Uani 0.57 1 d PDU F 5
O52 O 0.7988(8) 0.378(2) 0.0466(11) 0.068(9) Uani 0.23 1 d PDU F 5
O52' O 0.7442(6) 0.4774(8) 0.0604(5) 0.078(4) Uani 0.77 1 d PDU F 5
O53 O 0.7246(11) 0.2416(11) 0.0650(8) 0.081(6) Uani 0.43 1 d PDU F 5
O53' O 0.7747(7) 0.2733(10) 0.0592(6) 0.069(4) Uani 0.57 1 d PDU F 5
O54 O 0.6640(4) 0.3654(6) -0.0415(3) 0.066(2) Uani 1 1 d D F 5
O55 O 0.2342(7) 0.2922(10) 0.2922(6) 0.114(4) Uani 0.75 1 d PU G 6
H55 H 0.2001 0.2797 0.2991 0.136 Uiso 1 1 calc R G 6
O55' O 0.283(2) 0.213(2) 0.3192(14) 0.098(12) Uani 0.25 1 d PU G 6
H55' H 0.3249 0.2377 0.3286 0.118 Uiso 1 1 calc R G 6
O56 O 0.3261(12) 1.0900(17) 0.5325(10) 0.116(8) Uani 0.40 1 d PU H 6
H56 H 0.3354 1.1214 0.5684 0.139 Uiso 1 1 calc R H 6
O56' O 0.2590(9) 1.0929(12) 0.5488(7) 0.127(6) Uani 0.60 1 d PU I 6
H56' H 0.2661 1.1232 0.5842 0.153 Uiso 1 1 calc R I 6
O57 O -0.1161(15) 0.5037(19) 0.5088(13) 0.113(9) Uani 0.34 1 d PU J 6
H57 H -0.0704 0.5115 0.5388 0.135 Uiso 1 1 calc R J 6
O57' O -0.1559(7) 0.4796(10) 0.5407(5) 0.090(4) Uani 0.66 1 d PU J 6
H57' H -0.1539 0.4104 0.5483 0.108 Uiso 1 1 calc R J 6
O58 O 0.1483(8) 0.2937(12) 0.1747(8) 0.130(5) Uani 0.66 1 d PU K 6
H58 H 0.1756 0.2364 0.1877 0.156 Uiso 1 1 calc R K 6
O58' O 0.1199(14) 0.311(2) 0.1089(13) 0.116(10) Uani 0.34 1 d PU K 6
H58' H 0.1222 0.2514 0.0910 0.139 Uiso 1 1 calc R K 6
O59 O 0.3348(13) 0.9189(19) 0.3250(10) 0.124(10) Uani 0.35 1 d PDU L 6
H59 H 0.2921 0.9402 0.2934 0.149 Uiso 1 1 calc R L 6
O59' O 0.3883(8) 1.0321(12) 0.3666(7) 0.133(5) Uani 0.65 1 d PU L 6
H59' H 0.4290 1.0274 0.3689 0.160 Uiso 1 1 calc R L 6
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1 Al1 O1 110.4(3) 2_656 .
O1 Al1 O2 109.2(2) 2_656 .
O1 Al1 O2 109.2(2) . .
O1 Al1 O2 109.2(2) 2_656 2_656
O1 Al1 O2 109.2(2) . 2_656
O2 Al1 O2 109.7(3) . 2_656
O3 Al2 O6 78.6(2) . .
O3 Al2 O11 172.1(2) . 2_656
O6 Al2 O11 93.8(2) . 2_656
O3 Al2 O14 96.1(2) . 2_656
O6 Al2 O14 172.1(3) . 2_656
O11 Al2 O14 91.1(2) 2_656 2_656
O3 Al2 O17 92.3(3) . .
O6 Al2 O17 92.4(2) . .
O11 Al2 O17 90.5(3) 2_656 .
O14 Al2 O17 93.8(2) 2_656 .
O3 Al2 O2 94.3(2) . 2_656
O6 Al2 O2 92.2(2) . 2_656
O11 Al2 O2 83.4(2) 2_656 2_656
O14 Al2 O2 82.2(2) 2_656 2_656
O17 Al2 O2 172.6(3) . 2_656
O3 Al2 Al3 39.02(16) . .
O6 Al2 Al3 39.85(16) . .
O11 Al2 Al3 133.21(19) 2_656 .
O14 Al2 Al3 134.16(19) 2_656 .
O17 Al2 Al3 96.39(19) . .
O2 Al2 Al3 90.87(16) 2_656 .
O3 Al2 Al6 138.00(18) . 2_656
O6 Al2 Al6 93.82(17) . 2_656
O11 Al2 Al6 39.12(16) 2_656 2_656
O14 Al2 Al6 86.09(17) 2_656 2_656
O17 Al2 Al6 129.5(2) . 2_656
O2 Al2 Al6 44.27(15) 2_656 2_656
Al3 Al2 Al6 119.17(10) . 2_656
O3 Al2 Al7 97.55(17) . 2_656
O6 Al2 Al7 136.20(18) . 2_656
O11 Al2 Al7 86.13(17) 2_656 2_656
O14 Al2 Al7 37.99(15) 2_656 2_656
O17 Al2 Al7 131.38(19) . 2_656
O2 Al2 Al7 44.20(14) 2_656 2_656
Al3 Al2 Al7 120.43(10) . 2_656
Al6 Al2 Al7 60.03(8) 2_656 2_656
O6 Al3 O3 77.6(2) . .
O6 Al3 O9 97.0(3) . .
O3 Al3 O9 174.1(3) . .
O6 Al3 O12 171.2(2) . .
O3 Al3 O12 94.2(2) . .
O9 Al3 O12 91.1(3) . .
O6 Al3 O20 92.9(2) . .
O3 Al3 O20 94.3(2) . .
O9 Al3 O20 88.1(2) . .
O12 Al3 O20 90.8(3) . .
O6 Al3 O1 94.3(2) . .
O3 Al3 O1 94.3(2) . .
O9 Al3 O1 83.8(2) . .
O12 Al3 O1 83.1(2) . .
O20 Al3 O1 169.8(3) . .
O6 Al3 Al2 39.40(15) . .
O3 Al3 Al2 38.39(17) . .
O9 Al3 Al2 136.0(2) . .
O12 Al3 Al2 132.1(2) . .
O20 Al3 Al2 97.99(19) . .
O1 Al3 Al2 92.19(16) . .
O6 Al3 Al4 97.25(17) . .
O3 Al3 Al4 140.28(18) . .
O9 Al3 Al4 37.45(16) . .
O12 Al3 Al4 87.06(19) . .
O20 Al3 Al4 125.36(19) . .
O1 Al3 Al4 46.37(15) . .
Al2 Al3 Al4 122.76(11) . .
O6 Al3 Al5 136.92(18) . .
O3 Al3 Al5 97.00(18) . .
O9 Al3 Al5 85.44(19) . .
O12 Al3 Al5 40.12(17) . .
O20 Al3 Al5 130.1(2) . .
O1 Al3 Al5 43.03(16) . .
Al2 Al3 Al5 120.14(10) . .
Al4 Al3 Al5 60.04(9) . .
O10 Al4 O9 91.7(3) . .
O10 Al4 O8 96.0(3) . .
O9 Al4 O8 170.4(3) . .
O10 Al4 O8 169.9(3) . 2_656
O9 Al4 O8 95.2(3) . 2_656
O8 Al4 O8 76.4(3) . 2_656
O10 Al4 O19 93.0(3) . .
O9 Al4 O19 90.9(3) . .
O8 Al4 O19 94.4(3) . .
O8 Al4 O19 94.2(3) 2_656 .
O10 Al4 O1 80.1(2) . .
O9 Al4 O1 81.6(2) . .
O8 Al4 O1 94.1(2) . .
O8 Al4 O1 93.6(2) 2_656 .
O19 Al4 O1 169.6(3) . .
O10 Al4 Al4 133.8(2) . 2_656
O9 Al4 Al4 132.0(2) . 2_656
O8 Al4 Al4 39.02(18) . 2_656
O8 Al4 Al4 37.75(16) 2_656 2_656
O19 Al4 Al4 99.4(2) . 2_656
O1 Al4 Al4 90.96(15) . 2_656
O10 Al4 Al3 85.44(19) . .
O9 Al4 Al3 38.39(18) . .
O8 Al4 Al3 136.5(2) . .
O8 Al4 Al3 95.39(18) 2_656 .
O19 Al4 Al3 129.0(2) . .
O1 Al4 Al3 43.22(14) . .
Al4 Al4 Al3 117.90(10) 2_656 .
O10 Al4 Al5 36.92(17) . .
O9 Al4 Al5 86.1(2) . .
O8 Al4 Al5 96.6(2) . .
O8 Al4 Al5 136.23(19) 2_656 .
O19 Al4 Al5 129.5(2) . .
O1 Al4 Al5 43.17(15) . .
Al4 Al4 Al5 119.34(9) 2_656 .
Al3 Al4 Al5 60.07(9) . .
O4 Al5 O10 172.8(3) . .
O4 Al5 O7 76.9(2) . .
O10 Al5 O7 96.5(2) . .
O4 Al5 O12 95.2(2) . .
O10 Al5 O12 91.1(2) . .
O7 Al5 O12 171.2(3) . .
O4 Al5 O16 92.2(3) . .
O10 Al5 O16 91.2(3) . .
O7 Al5 O16 93.2(3) . .
O12 Al5 O16 91.1(2) . .
O4 Al5 O1 94.9(2) . .
O10 Al5 O1 82.6(2) . .
O7 Al5 O1 94.9(3) . .
O12 Al5 O1 81.6(2) . .
O16 Al5 O1 170.3(2) . .
O4 Al5 Al6 38.61(16) . .
O10 Al5 Al6 134.43(19) . .
O7 Al5 Al6 38.73(17) . .
O12 Al5 Al6 132.89(19) . .
O16 Al5 Al6 97.97(19) . .
O1 Al5 Al6 91.74(16) . .
O4 Al5 Al3 98.00(19) . .
O10 Al5 Al3 84.83(18) . .
O7 Al5 Al3 137.6(2) . .
O12 Al5 Al3 38.65(18) . .
O16 Al5 Al3 129.24(19) . .
O1 Al5 Al3 42.99(15) . .
Al6 Al5 Al3 120.29(10) . .
O4 Al5 Al4 140.7(2) . .
O10 Al5 Al4 36.29(18) . .
O7 Al5 Al4 97.6(2) . .
O12 Al5 Al4 85.9(2) . .
O16 Al5 Al4 127.1(2) . .
O1 Al5 Al4 46.28(15) . .
Al6 Al5 Al4 121.85(11) . .
Al3 Al5 Al4 59.89(9) . .
O13 Al6 O4 95.8(2) . .
O13 Al6 O7 169.7(3) . .
O4 Al6 O7 76.1(2) . .
O13 Al6 O11 92.4(2) . .
O4 Al6 O11 170.7(3) . .
O7 Al6 O11 95.3(2) . .
O13 Al6 O15 91.7(2) . .
O4 Al6 O15 94.3(2) . .
O7 Al6 O15 95.1(3) . .
O11 Al6 O15 89.8(2) . .
O13 Al6 O2 80.6(2) . .
O4 Al6 O2 95.0(2) . .
O7 Al6 O2 93.7(2) . .
O11 Al6 O2 82.0(2) . .
O15 Al6 O2 168.5(2) . .
O13 Al6 Al5 132.37(19) . .
O4 Al6 Al5 37.93(16) . .
O7 Al6 Al5 38.59(16) . .
O11 Al6 Al5 133.06(19) . .
O15 Al6 Al5 100.48(18) . .
O2 Al6 Al5 91.01(16) . .
O13 Al6 Al7 36.32(17) . .
O4 Al6 Al7 98.26(17) . .
O7 Al6 Al7 137.6(2) . .
O11 Al6 Al7 85.74(17) . .
O15 Al6 Al7 127.29(19) . .
O2 Al6 Al7 44.35(14) . .
Al5 Al6 Al7 120.18(10) . .
O13 Al6 Al2 86.07(18) . 2_656
O4 Al6 Al2 137.93(19) . 2_656
O7 Al6 Al2 95.8(2) . 2_656
O11 Al6 Al2 38.29(16) . 2_656
O15 Al6 Al2 127.69(18) . 2_656
O2 Al6 Al2 43.72(14) . 2_656
Al5 Al6 Al2 118.97(10) . 2_656
Al7 Al6 Al2 60.25(8) . 2_656
O13 Al7 O5 94.0(2) . .
O13 Al7 O5 170.7(2) . 2_656
O5 Al7 O5 77.9(2) . 2_656
O13 Al7 O14 93.0(2) . .
O5 Al7 O14 171.4(3) . .
O5 Al7 O14 94.7(2) 2_656 .
O13 Al7 O18 92.5(2) . .
O5 Al7 O18 94.1(2) . .
O5 Al7 O18 92.6(2) 2_656 .
O14 Al7 O18 90.5(2) . .
O13 Al7 O2 81.0(2) . .
O5 Al7 O2 95.5(2) . .
O5 Al7 O2 95.1(2) 2_656 .
O14 Al7 O2 80.7(2) . .
O18 Al7 O2 168.7(2) . .
O13 Al7 Al7 131.7(2) . 2_656
O5 Al7 Al7 39.11(15) . 2_656
O5 Al7 Al7 39.54(14) 2_656 2_656
O14 Al7 Al7 132.8(2) . 2_656
O18 Al7 Al7 100.22(16) . 2_656
O2 Al7 Al7 90.96(14) . 2_656
O13 Al7 Al6 36.88(17) . .
O5 Al7 Al6 97.32(17) . .
O5 Al7 Al6 138.83(18) 2_656 .
O14 Al7 Al6 85.30(17) . .
O18 Al7 Al6 128.6(2) . .
O2 Al7 Al6 44.11(15) . .
Al7 Al7 Al6 119.58(8) 2_656 .
O13 Al7 Al2 86.01(18) . 2_656
O5 Al7 Al2 138.46(18) . 2_656
O5 Al7 Al2 96.99(16) 2_656 2_656
O14 Al7 Al2 37.28(15) . 2_656
O18 Al7 Al2 127.39(17) . 2_656
O2 Al7 Al2 43.41(14) . 2_656
Al7 Al7 Al2 119.37(9) 2_656 2_656
Al6 Al7 Al2 59.72(8) . 2_656
O21 Al8 O21 110.4(3) . 2
O21 Al8 O22 109.8(2) . .
O21 Al8 O22 109.4(2) 2 .
O21 Al8 O22 109.4(2) . 2
O21 Al8 O22 109.8(2) 2 2
O22 Al8 O22 107.9(3) . 2
O28 Al9 O29 92.1(2) . 2
O28 Al9 O31 172.0(3) . .
O29 Al9 O31 93.4(2) 2 .
O28 Al9 O28 77.7(3) . 2
O29 Al9 O28 168.6(3) 2 2
O31 Al9 O28 96.2(2) . 2
O28 Al9 O38 92.9(3) . .
O29 Al9 O38 91.9(2) 2 .
O31 Al9 O38 92.6(2) . .
O28 Al9 O38 93.7(2) 2 .
O28 Al9 O22 94.9(2) . 2
O29 Al9 O22 80.5(2) 2 2
O31 Al9 O22 80.4(2) . 2
O28 Al9 O22 95.1(2) 2 2
O38 Al9 O22 169.3(3) . 2
O28 Al9 Al9 39.85(17) . 2
O29 Al9 Al9 130.8(2) 2 2
O31 Al9 Al9 133.3(2) . 2
O28 Al9 Al9 38.32(17) 2 2
O38 Al9 Al9 99.17(18) . 2
O22 Al9 Al9 91.50(15) 2 2
O28 Al9 Al10 137.77(19) . .
O29 Al9 Al10 86.44(19) 2 .
O31 Al9 Al10 37.15(16) . .
O28 Al9 Al10 97.60(18) 2 .
O38 Al9 Al10 129.3(2) . .
O22 Al9 Al10 43.26(14) 2 .
Al9 Al9 Al10 119.63(9) 2 .
O28 Al9 Al14 95.72(18) . 2
O29 Al9 Al14 37.13(16) 2 2
O31 Al9 Al14 85.31(18) . 2
O28 Al9 Al14 137.77(18) 2 2
O38 Al9 Al14 128.44(18) . 2
O22 Al9 Al14 43.39(14) 2 2
Al9 Al9 Al14 119.15(9) 2 2
Al10 Al9 Al14 59.75(8) . 2
O31 Al10 O23 172.7(2) . .
O31 Al10 O34 92.5(2) . 2
O23 Al10 O34 94.5(2) . 2
O31 Al10 O26 94.3(2) . .
O23 Al10 O26 78.6(2) . .
O34 Al10 O26 172.2(2) 2 .
O31 Al10 O37 90.6(2) . .
O23 Al10 O37 91.5(2) . .
O34 Al10 O37 90.0(2) 2 .
O26 Al10 O37 93.8(2) . .
O31 Al10 O22 82.6(2) . 2
O23 Al10 O22 96.2(2) . 2
O34 Al10 O22 82.9(2) 2 2
O26 Al10 O22 94.1(2) . 2
O37 Al10 O22 169.9(2) . 2
O31 Al10 Al11 133.83(19) . .
O23 Al10 Al11 38.86(15) . .
O34 Al10 Al11 132.51(19) 2 .
O26 Al10 Al11 40.15(15) . .
O37 Al10 Al11 97.90(17) . .
O22 Al10 Al11 92.18(16) 2 .
O31 Al10 Al14 86.85(17) . 2
O23 Al10 Al14 97.35(16) . 2
O34 Al10 Al14 38.88(17) 2 2
O26 Al10 Al14 137.73(19) . 2
O37 Al10 Al14 128.47(18) . 2
O22 Al10 Al14 44.04(15) 2 2
Al11 Al10 Al14 120.03(10) . 2
O31 Al10 Al9 37.81(17) . .
O23 Al10 Al9 140.51(19) . .
O34 Al10 Al9 87.25(18) 2 .
O26 Al10 Al9 95.74(18) . .
O37 Al10 Al9 127.99(18) . .
O22 Al10 Al9 44.79(14) 2 .
Al11 Al10 Al9 121.16(11) . .
Al14 Al10 Al9 60.96(8) 2 .
O23 Al11 O32 94.2(2) . .
O23 Al11 O26 78.0(2) . .
O32 Al11 O26 170.5(2) . .
O23 Al11 O30 170.8(2) . .
O32 Al11 O30 94.4(2) . .
O26 Al11 O30 93.2(2) . .
O23 Al11 O36 94.2(2) . .
O32 Al11 O36 92.9(2) . .
O26 Al11 O36 93.1(2) . .
O30 Al11 O36 88.8(2) . .
O23 Al11 O21 95.6(2) . .
O32 Al11 O21 82.1(2) . .
O26 Al11 O21 93.2(2) . .
O30 Al11 O21 82.2(2) . .
O36 Al11 O21 169.3(2) . .
O23 Al11 Al10 38.59(16) . .
O32 Al11 Al10 131.64(18) . .
O26 Al11 Al10 39.83(16) . .
O30 Al11 Al10 132.30(18) . .
O36 Al11 Al10 99.12(17) . .
O21 Al11 Al10 91.21(15) . .
O23 Al11 Al13 138.52(18) . .
O32 Al11 Al13 86.94(18) . .
O26 Al11 Al13 95.33(18) . .
O30 Al11 Al13 38.84(15) . .
O36 Al11 Al13 127.23(17) . .
O21 Al11 Al13 43.43(15) . .
Al10 Al11 Al13 119.64(10) . .
O23 Al11 Al12 98.21(16) . .
O32 Al11 Al12 37.37(16) . .
O26 Al11 Al12 137.71(18) . .
O30 Al11 Al12 86.59(17) . .
O36 Al11 Al12 129.18(18) . .
O21 Al11 Al12 44.82(14) . .
Al10 Al11 Al12 120.57(9) . .
Al13 Al11 Al12 59.75(8) . .
O33 Al12 O24 94.5(2) . 2
O33 Al12 O24 170.1(3) . .
O24 Al12 O24 76.3(3) 2 .
O33 Al12 O32 95.0(2) . .
O24 Al12 O32 169.2(2) 2 .
O24 Al12 O32 93.8(2) . .
O33 Al12 O39 91.6(2) . .
O24 Al12 O39 92.5(2) 2 .
O24 Al12 O39 92.6(2) . .
O32 Al12 O39 92.3(2) . .
O33 Al12 O21 80.6(2) . .
O24 Al12 O21 97.1(2) 2 .
O24 Al12 O21 96.5(2) . .
O32 Al12 O21 79.5(2) . .
O39 Al12 O21 168.1(2) . .
O33 Al12 Al12 131.8(2) . 2
O24 Al12 Al12 38.90(15) 2 2
O24 Al12 Al12 38.47(16) . 2
O32 Al12 Al12 130.5(2) . 2
O39 Al12 Al12 100.21(14) . 2
O21 Al12 Al12 91.71(14) . 2
O33 Al12 Al13 37.11(15) . .
O24 Al12 Al13 98.01(18) 2 .
O24 Al12 Al13 139.28(18) . .
O32 Al12 Al13 86.57(17) . .
O39 Al12 Al13 128.09(18) . .
O21 Al12 Al13 43.48(14) . .
Al12 Al12 Al13 119.31(9) 2 .
O33 Al12 Al11 86.01(17) . .
O24 Al12 Al11 139.09(18) 2 .
O24 Al12 Al11 98.33(18) . .
O32 Al12 Al11 36.98(15) . .
O39 Al12 Al11 128.38(18) . .
O21 Al12 Al11 42.57(14) . .
Al12 Al12 Al11 119.18(9) 2 .
Al13 Al12 Al11 59.67(8) . .
O33 Al13 O25 96.6(2) . .
O33 Al13 O27 171.9(2) . .
O25 Al13 O27 77.3(2) . .
O33 Al13 O30 93.9(2) . .
O25 Al13 O30 169.2(2) . .
O27 Al13 O30 92.0(2) . .
O33 Al13 O35 90.7(2) . .
O25 Al13 O35 91.8(2) . .
O27 Al13 O35 94.7(2) . .
O30 Al13 O35 90.4(2) . .
O33 Al13 O21 82.5(2) . .
O25 Al13 O21 97.0(2) . .
O27 Al13 O21 93.0(2) . .
O30 Al13 O21 82.1(2) . .
O35 Al13 O21 169.4(2) . .
O33 Al13 Al14 133.79(19) . .
O25 Al13 Al14 38.31(16) . .
O27 Al13 Al14 39.37(17) . .
O30 Al13 Al14 130.89(18) . .
O35 Al13 Al14 98.42(18) . .
O21 Al13 Al14 92.15(16) . .
O33 Al13 Al11 86.81(18) . .
O25 Al13 Al11 139.21(18) . .
O27 Al13 Al11 94.39(19) . .
O30 Al13 Al11 39.10(15) . .
O35 Al13 Al11 128.86(19) . .
O21 Al13 Al11 43.00(15) . .
Al14 Al13 Al11 119.28(10) . .
O33 Al13 Al12 37.11(15) . .
O25 Al13 Al12 99.53(16) . .
O27 Al13 Al12 138.00(18) . .
O30 Al13 Al12 87.49(17) . .
O35 Al13 Al12 127.29(18) . .
O21 Al13 Al12 45.35(14) . .
Al14 Al13 Al12 121.74(9) . .
Al11 Al13 Al12 60.58(8) . .
O29 Al14 O27 93.9(2) . .
O29 Al14 O34 92.8(2) . .
O27 Al14 O34 171.4(2) . .
O29 Al14 O25 171.9(3) . .
O27 Al14 O25 79.1(2) . .
O34 Al14 O25 93.8(2) . .
O29 Al14 O40 90.4(3) . .
O27 Al14 O40 94.9(3) . .
O34 Al14 O40 90.6(3) . .
O25 Al14 O40 94.2(3) . .
O29 Al14 O22 80.4(2) . .
O27 Al14 O22 93.9(2) . .
O34 Al14 O22 81.8(2) . .
O25 Al14 O22 96.0(2) . .
O40 Al14 O22 167.7(3) . .
O29 Al14 Al13 133.1(2) . .
O27 Al14 Al13 40.12(16) . .
O34 Al14 Al13 132.15(19) . .
O25 Al14 Al13 39.43(16) . .
O40 Al14 Al13 100.3(2) . .
O22 Al14 Al13 92.01(16) . .
O29 Al14 Al10 85.59(17) . 2
O27 Al14 Al10 136.43(19) . 2
O34 Al14 Al10 38.83(16) . 2
O25 Al14 Al10 96.64(17) . 2
O40 Al14 Al10 128.7(2) . 2
O22 Al14 Al10 42.96(15) . 2
Al13 Al14 Al10 119.17(10) . 2
O29 Al14 Al9 36.56(17) . 2
O27 Al14 Al9 96.34(19) . 2
O34 Al14 Al9 85.78(17) . 2
O25 Al14 Al9 139.52(19) . 2
O40 Al14 Al9 126.3(2) . 2
O22 Al14 Al9 43.83(14) . 2
Al13 Al14 Al9 121.10(11) . 2
Al10 Al14 Al9 59.29(8) 2 2
Al1 O1 Al5 124.6(3) . .
Al1 O1 Al3 123.8(3) . .
Al5 O1 Al3 94.0(2) . .
Al1 O1 Al4 123.8(3) . .
Al5 O1 Al4 90.5(2) . .
Al3 O1 Al4 90.4(2) . .
Al1 O2 Al2 123.9(3) . 2_656
Al1 O2 Al6 123.4(2) . .
Al2 O2 Al6 92.0(2) 2_656 .
Al1 O2 Al7 124.2(3) . .
Al2 O2 Al7 92.4(2) 2_656 .
Al6 O2 Al7 91.5(2) . .
Al2 O3 Al3 102.6(3) . .
Al2 O3 H3 128.7 . .
Al3 O3 H3 128.7 . .
Al5 O4 Al6 103.5(3) . .
Al5 O4 H4 128.3 . .
Al6 O4 H4 128.3 . .
Al7 O5 Al7 101.4(2) . 2_656
Al7 O5 H5 129.3 . .
Al7 O5 H5 129.3 2_656 .
Al2 O6 Al3 100.7(2) . .
Al2 O6 H6 129.6 . .
Al3 O6 H6 129.6 . .
Al5 O7 Al6 102.7(3) . .
Al5 O7 H7 128.7 . .
Al6 O7 H7 128.7 . .
Al4 O8 Al4 103.2(3) . 2_656
Al4 O8 H8 128.4 . .
Al4 O8 H8 128.4 2_656 .
Al4 O9 Al3 104.2(3) . .
Al4 O9 H9 127.9 . .
Al3 O9 H9 127.9 . .
Al4 O10 Al5 106.8(3) . .
Al4 O10 H10 126.6 . .
Al5 O10 H10 126.6 . .
Al2 O11 Al6 102.6(3) 2_656 .
Al2 O11 H11 128.7 2_656 .
Al6 O11 H11 128.7 . .
Al3 O12 Al5 101.2(3) . .
Al3 O12 H12 129.4 . .
Al5 O12 H12 129.4 . .
Al6 O13 Al7 106.8(3) . .
Al6 O13 H13 126.6 . .
Al7 O13 H13 126.6 . .
Al2 O14 Al7 104.7(2) 2_656 .
Al2 O14 H14 127.6 2_656 .
Al7 O14 H14 127.6 . .
Al6 O15 H15B 109.5 . .
Al6 O15 H15A 109.1 . .
H15B O15 H15A 141.2 . .
Al5 O16 H16B 109.5 . .
Al5 O16 H16A 111.3 . .
H16B O16 H16A 139.2 . .
Al2 O17 H17B 109.5 . .
Al2 O17 H17A 110.6 . .
H17B O17 H17A 139.6 . .
Al7 O18 H18B 109.5 . .
Al7 O18 H18A 109.4 . .
H18B O18 H18A 141.1 . .
Al4 O19 H19B 109.5 . .
Al4 O19 H19A 110.6 . .
H19B O19 H19A 139.8 . .
S1 O20 Al3 124.7(5) . .
S1 O20 H20 117.7 . .
Al3 O20 H20 117.7 . .
Al8 O21 Al11 124.1(2) . .
Al8 O21 Al13 123.3(3) . .
Al11 O21 Al13 93.6(2) . .
Al8 O21 Al12 123.1(3) . .
Al11 O21 Al12 92.6(2) . .
Al13 O21 Al12 91.2(2) . .
Al8 O22 Al10 123.1(2) . 2
Al8 O22 Al14 122.6(2) . .
Al10 O22 Al14 93.0(2) 2 .
Al8 O22 Al9 124.5(3) . 2
Al10 O22 Al9 91.9(2) 2 2
Al14 O22 Al9 92.8(2) . 2
Al11 O23 Al10 102.5(2) . .
Al11 O23 H23 128.7 . .
Al10 O23 H23 128.7 . .
Al12 O24 Al12 102.6(3) 2 .
Al12 O24 H24 128.7 2 .
Al12 O24 H24 128.7 . .
Al13 O25 Al14 102.3(2) . .
Al13 O25 H25 128.9 . .
Al14 O25 H25 128.9 . .
Al11 O26 Al10 100.0(2) . .
Al11 O26 H26 130.0 . .
Al10 O26 H26 130.0 . .
Al13 O27 Al14 100.5(2) . .
Al13 O27 H27 129.7 . .
Al14 O27 H27 129.7 . .
Al9 O28 Al9 101.8(3) . 2
Al9 O28 H28 129.1 . .
Al9 O28 H28 129.1 2 .
Al9 O29 Al14 106.3(3) 2 .
Al9 O29 H29 126.8 2 .
Al14 O29 H29 126.8 . .
Al13 O30 Al11 102.1(2) . .
Al13 O30 H30 129.0 . .
Al11 O30 H30 129.0 . .
Al10 O31 Al9 105.0(3) . .
Al10 O31 H31 127.5 . .
Al9 O31 H31 127.5 . .
Al11 O32 Al12 105.7(2) . .
Al11 O32 H32 127.2 . .
Al12 O32 H32 127.2 . .
Al12 O33 Al13 105.8(2) . .
Al12 O33 H33 127.1 . .
Al13 O33 H33 127.1 . .
Al14 O34 Al10 102.3(3) . 2
Al14 O34 H34 128.9 . .
Al10 O34 H34 128.9 2 .
Al13 O35 H35B 109.5 . .
Al13 O35 H35A 110.2 . .
H35B O35 H35A 139.1 . .
Al11 O36 H36B 109.5 . .
Al11 O36 H36A 109.7 . .
H36B O36 H36A 140.8 . .
Al10 O37 H37B 109.5 . .
Al10 O37 H37A 109.6 . .
H37B O37 H37A 139.9 . .
Al9 O38 H38B 109.5 . .
Al9 O38 H38A 109.3 . .
H38B O38 H38A 140.7 . .
Al12 O39 H39B 109.5 . .
Al12 O39 H39A 110.2 . .
H39B O39 H39A 138.6 . .
S2 O40 Al14 160.2(5) . .
S2 O40 H40 99.9 . .
Al14 O40 H40 99.9 . .
O42 S1 O41 106.3(9) . .
O42 S1 O43 107.3(9) . .
O41 S1 O43 108.0(9) . .
O42 S1 O20 111.6(8) . .
O41 S1 O20 117.5(8) . .
O43 S1 O20 105.8(9) . .
O40 S2 O45 115.3(9) . .
O40 S2 O44 115.3(7) . .
O45 S2 O44 110.1(8) . .
O40 S2 O46 106.4(8) . .
O45 S2 O46 107.8(10) . .
O44 S2 O46 100.6(9) . .
O47 S3 O48 108.1(5) . .
O47 S3 O49 105.8(5) . .
O48 S3 O49 109.2(5) . .
O47 S3 O50 112.5(5) . .
O48 S3 O50 110.1(5) . .
O49 S3 O50 111.0(6) . .
O51 S4 O53 113.6(9) . .
O51 S4 O53' 128.1(8) . .
O53 S4 O53' 47.3(7) . .
O51 S4 O54 118.0(7) . .
O53 S4 O54 113.3(7) . .
O53' S4 O54 113.4(6) . .
O51 S4 O52' 40.4(6) . .
O53 S4 O52' 139.4(8) . .
O53' S4 O52' 116.2(7) . .
O54 S4 O52' 107.3(5) . .
O51 S4 O51' 67.8(8) . .
O53 S4 O51' 61.8(8) . .
O53' S4 O51' 107.9(7) . .
O54 S4 O51' 103.1(6) . .
O52' S4 O51' 108.1(6) . .
O51 S4 O52 105.6(10) . .
O53 S4 O52 101.8(10) . .
O53' S4 O52 55.0(9) . .
O54 S4 O52 102.2(8) . .
O52' S4 O52 70.1(10) . .
O51' S4 O52 153.9(9) . .
O52' O51 S4 71.2(9) . .
S4 O51' O53 56.5(6) . .
O53' O52 S4 56.5(6) . .
O51 O52' S4 68.4(8) . .
O53' O53 S4 63.3(7) . .
O53' O53 O51' 123.5(11) . .
S4 O53 O51' 61.7(6) . .
O53 O53' S4 69.4(8) . .
O53 O53' O52 136.9(13) . .
S4 O53' O52 68.5(8) . .
O55' O55 H55 109.5 . .
O55 O55' H55' 109.5 . .
O57' O57 H57 109.5 . .
O57 O57' H57' 109.5 . .
O58' O58 H58 109.5 . .
O58 O58' H58' 109.5 . .
O59' O59 H59 109.5 . .
O59 O59' H59' 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1 1.833(5) 2_656
Al1 O1 1.833(5) .
Al1 O2 1.839(5) .
Al1 O2 1.839(5) 2_656
Al2 O3 1.835(5) .
Al2 O6 1.863(5) .
Al2 O11 1.880(6) 2_656
Al2 O14 1.865(5) 2_656
Al2 O17 1.947(6) .
Al2 O2 2.048(5) 2_656
Al2 Al3 2.884(3) .
Al2 Al6 2.962(3) 2_656
Al2 Al7 2.978(3) 2_656
Al3 O6 1.881(5) .
Al3 O3 1.860(5) .
Al3 O9 1.890(6) .
Al3 O12 1.882(6) .
Al3 O20 2.010(6) .
Al3 O1 2.021(5) .
Al3 Al4 2.951(4) .
Al3 Al5 2.956(4) .
Al4 O10 1.827(6) .
Al4 O9 1.850(6) .
Al4 O8 1.849(6) .
Al4 O8 1.901(6) 2_656
Al4 O19 1.942(6) .
Al4 O1 2.136(5) .
Al4 Al4 2.940(5) 2_656
Al4 Al5 2.955(4) .
Al5 O4 1.830(5) .
Al5 O10 1.854(6) .
Al5 O7 1.851(5) .
Al5 O12 1.942(6) .
Al5 O16 1.946(6) .
Al5 O1 2.022(6) .
Al5 Al6 2.895(3) .
Al6 O13 1.863(6) .
Al6 O4 1.858(5) .
Al6 O7 1.857(5) .
Al6 O11 1.915(6) .
Al6 O15 1.966(6) .
Al6 O2 2.069(5) .
Al6 Al7 2.971(3) .
Al6 Al2 2.962(3) 2_656
Al7 O13 1.838(6) .
Al7 O5 1.907(5) .
Al7 O5 1.890(5) 2_656
Al7 O14 1.895(5) .
Al7 O18 1.972(5) .
Al7 O2 2.078(5) .
Al7 Al7 2.937(5) 2_656
Al7 Al2 2.978(3) 2_656
Al8 O21 1.853(5) .
Al8 O21 1.853(5) 2
Al8 O22 1.867(5) .
Al8 O22 1.867(5) 2
Al9 O28 1.845(6) .
Al9 O29 1.854(6) 2
Al9 O31 1.865(5) .
Al9 O28 1.906(6) 2
Al9 O38 1.975(6) .
Al9 O22 2.071(5) 2
Al9 Al9 2.912(5) 2
Al9 Al10 2.938(4) .
Al9 Al14 2.987(4) 2
Al10 O31 1.837(5) .
Al10 O23 1.864(5) .
Al10 O34 1.894(6) 2
Al10 O26 1.898(5) .
Al10 O37 1.985(5) .
Al10 O22 2.014(5) 2
Al10 Al11 2.917(3) .
Al10 Al14 2.952(3) 2
Al11 O23 1.875(5) .
Al11 O32 1.866(5) .
Al11 O26 1.910(5) .
Al11 O30 1.909(5) .
Al11 O36 1.960(5) .
Al11 O21 2.023(5) .
Al11 Al13 2.960(3) .
Al11 Al12 2.987(3) .
Al12 O33 1.857(5) .
Al12 O24 1.859(5) 2
Al12 O24 1.877(5) .
Al12 O32 1.883(5) .
Al12 O39 1.979(5) .
Al12 O21 2.108(5) .
Al12 Al12 2.917(4) 2
Al12 Al13 2.962(3) .
Al13 O33 1.857(5) .
Al13 O25 1.882(5) .
Al13 O27 1.898(5) .
Al13 O30 1.898(5) .
Al13 O35 1.960(5) .
Al13 O21 2.039(5) .
Al13 Al14 2.895(3) .
Al14 O29 1.879(5) .
Al14 O27 1.868(5) .
Al14 O34 1.896(6) .
Al14 O25 1.837(5) .
Al14 O40 1.907(7) .
Al14 O22 2.055(5) .
Al14 Al10 2.952(3) 2
Al14 Al9 2.987(4) 2
O2 Al2 2.048(5) 2_656
O3 H3 0.8200 .
O4 H4 0.8200 .
O5 Al7 1.890(5) 2_656
O5 H5 0.8200 .
O6 H6 0.8200 .
O7 H7 0.8200 .
O8 Al4 1.901(6) 2_656
O8 H8 0.8200 .
O9 H9 0.8200 .
O10 H10 0.8200 .
O11 Al2 1.880(6) 2_656
O11 H11 0.8200 .
O12 H12 0.8200 .
O13 H13 0.8200 .
O14 Al2 1.865(5) 2_656
O14 H14 0.8200 .
O15 H15B 0.8200 .
O15 H15A 0.8200 .
O16 H16B 0.8200 .
O16 H16A 0.8200 .
O17 H17B 0.8200 .
O17 H17A 0.8200 .
O18 H18B 0.8200 .
O18 H18A 0.8200 .
O19 H19B 0.8200 .
O19 H19A 0.8200 .
O20 S1 1.508(9) .
O20 H20 0.8200 .
O22 Al10 2.014(5) 2
O22 Al9 2.071(5) 2
O23 H23 0.8200 .
O24 Al12 1.859(5) 2
O24 H24 0.8200 .
O25 H25 0.8200 .
O26 H26 0.8200 .
O27 H27 0.8200 .
O28 Al9 1.906(6) 2
O28 H28 0.8200 .
O29 Al9 1.854(6) 2
O29 H29 0.8200 .
O30 H30 0.8200 .
O31 H31 0.8200 .
O32 H32 0.8200 .
O33 H33 0.8200 .
O34 Al10 1.894(6) 2
O34 H34 0.8200 .
O35 H35B 0.8200 .
O35 H35A 0.8200 .
O36 H36B 0.8200 .
O36 H36A 0.8200 .
O37 H37B 0.8200 .
O37 H37A 0.8200 .
O38 H38B 0.8200 .
O38 H38A 0.8200 .
O39 H39B 0.8200 .
O39 H39A 0.8200 .
O40 S2 1.398(7) .
O40 H40 0.8200 .
S1 O42 1.510(11) .
S1 O41 1.465(11) .
S1 O43 1.535(12) .
S2 O45 1.472(11) .
S2 O44 1.540(11) .
S2 O46 1.584(12) .
S3 O47 1.467(6) .
S3 O48 1.503(6) .
S3 O49 1.526(7) .
S3 O50 1.496(8) .
S4 O51 1.440(11) .
S4 O53 1.501(11) .
S4 O53' 1.434(9) .
S4 O54 1.492(5) .
S4 O52' 1.466(8) .
S4 O51' 1.584(10) .
S4 O52 1.601(13) .
O51 O52' 1.003(16) .
O51' O53 1.586(19) .
O52 O53' 1.41(2) .
O53 O53' 1.178(18) .
O55 O55' 1.26(3) .
O55 H55 0.8200 .
O55' H55' 0.8200 .
O56 H56 0.8200 .
O56' H56' 0.8200 .
O57 O57' 1.40(3) .
O57 H57 0.8200 .
O57' H57' 0.8200 .
O58 O58' 1.30(2) .
O58 H58 0.8200 .
O58' H58' 0.8200 .
O59 O59' 1.65(2) .
O59 H59 0.8200 .
O59' H59' 0.8200 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Al2 Al3 O6 -171.8(4) . .
O11 Al2 Al3 O6 10.7(3) 2_656 .
O14 Al2 Al3 O6 172.3(3) 2_656 .
O17 Al2 Al3 O6 -86.1(3) . .
O2 Al2 Al3 O6 92.4(3) 2_656 .
Al6 Al2 Al3 O6 56.7(2) 2_656 .
Al7 Al2 Al3 O6 127.1(3) 2_656 .
O6 Al2 Al3 O3 171.8(4) . .
O11 Al2 Al3 O3 -177.5(4) 2_656 .
O14 Al2 Al3 O3 -15.9(3) 2_656 .
O17 Al2 Al3 O3 85.7(3) . .
O2 Al2 Al3 O3 -95.8(3) 2_656 .
Al6 Al2 Al3 O3 -131.5(3) 2_656 .
Al7 Al2 Al3 O3 -61.1(3) 2_656 .
O3 Al2 Al3 O9 177.5(4) . .
O6 Al2 Al3 O9 -10.7(3) . .
O11 Al2 Al3 O9 0.0(4) 2_656 .
O14 Al2 Al3 O9 161.7(3) 2_656 .
O17 Al2 Al3 O9 -96.8(3) . .
O2 Al2 Al3 O9 81.7(3) 2_656 .
Al6 Al2 Al3 O9 46.0(3) 2_656 .
Al7 Al2 Al3 O9 116.4(3) 2_656 .
O3 Al2 Al3 O12 11.4(3) . .
O6 Al2 Al3 O12 -176.7(3) . .
O11 Al2 Al3 O12 -166.1(3) 2_656 .
O14 Al2 Al3 O12 -4.4(4) 2_656 .
O17 Al2 Al3 O12 97.1(3) . .
O2 Al2 Al3 O12 -84.3(3) 2_656 .
Al6 Al2 Al3 O12 -120.1(2) 2_656 .
Al7 Al2 Al3 O12 -49.7(3) 2_656 .
O3 Al2 Al3 O20 -86.9(3) . .
O6 Al2 Al3 O20 84.9(3) . .
O11 Al2 Al3 O20 95.6(3) 2_656 .
O14 Al2 Al3 O20 -102.8(3) 2_656 .
O17 Al2 Al3 O20 -1.2(3) . .
O2 Al2 Al3 O20 177.3(2) 2_656 .
Al6 Al2 Al3 O20 141.6(2) 2_656 .
Al7 Al2 Al3 O20 -148.1(2) 2_656 .
O3 Al2 Al3 O1 94.2(3) . .
O6 Al2 Al3 O1 -94.0(3) . .
O11 Al2 Al3 O1 -83.4(3) 2_656 .
O14 Al2 Al3 O1 78.3(3) 2_656 .
O17 Al2 Al3 O1 179.9(2) . .
O2 Al2 Al3 O1 -1.6(2) 2_656 .
Al6 Al2 Al3 O1 -37.4(2) 2_656 .
Al7 Al2 Al3 O1 33.0(2) 2_656 .
O3 Al2 Al3 Al4 131.4(3) . .
O6 Al2 Al3 Al4 -56.8(2) . .
O11 Al2 Al3 Al4 -46.2(3) 2_656 .
O14 Al2 Al3 Al4 115.5(3) 2_656 .
O17 Al2 Al3 Al4 -142.9(2) . .
O2 Al2 Al3 Al4 35.57(19) 2_656 .
Al6 Al2 Al3 Al4 -0.17(17) 2_656 .
Al7 Al2 Al3 Al4 70.22(16) 2_656 .
O3 Al2 Al3 Al5 59.6(3) . .
O6 Al2 Al3 Al5 -128.6(3) . .
O11 Al2 Al3 Al5 -117.9(3) 2_656 .
O14 Al2 Al3 Al5 43.7(3) 2_656 .
O17 Al2 Al3 Al5 145.3(2) . .
O2 Al2 Al3 Al5 -36.19(19) 2_656 .
Al6 Al2 Al3 Al5 -71.93(16) 2_656 .
Al7 Al2 Al3 Al5 -1.54(17) 2_656 .
O6 Al3 Al4 O10 -169.4(2) . .
O3 Al3 Al4 O10 -90.1(4) . .
O9 Al3 Al4 O10 98.6(3) . .
O12 Al3 Al4 O10 2.9(2) . .
O20 Al3 Al4 O10 91.8(3) . .
O1 Al3 Al4 O10 -80.4(3) . .
Al2 Al3 Al4 O10 -136.97(19) . .
Al5 Al3 Al4 O10 -28.41(17) . .
O6 Al3 Al4 O9 92.1(3) . .
O3 Al3 Al4 O9 171.3(4) . .
O12 Al3 Al4 O9 -95.7(3) . .
O20 Al3 Al4 O9 -6.8(4) . .
O1 Al3 Al4 O9 -178.9(4) . .
Al2 Al3 Al4 O9 124.5(3) . .
Al5 Al3 Al4 O9 -127.0(3) . .
O6 Al3 Al4 O8 -75.4(4) . .
O3 Al3 Al4 O8 3.9(5) . .
O9 Al3 Al4 O8 -167.4(5) . .
O12 Al3 Al4 O8 96.9(4) . .
O20 Al3 Al4 O8 -174.2(4) . .
O1 Al3 Al4 O8 13.6(4) . .
Al2 Al3 Al4 O8 -43.0(4) . .
Al5 Al3 Al4 O8 65.6(3) . .
O6 Al3 Al4 O8 0.6(2) . 2_656
O3 Al3 Al4 O8 79.8(4) . 2_656
O9 Al3 Al4 O8 -91.5(3) . 2_656
O12 Al3 Al4 O8 172.8(2) . 2_656
O20 Al3 Al4 O8 -98.3(3) . 2_656
O1 Al3 Al4 O8 89.5(3) . 2_656
Al2 Al3 Al4 O8 32.9(2) . 2_656
Al5 Al3 Al4 O8 141.50(19) . 2_656
O6 Al3 Al4 O19 100.4(3) . .
O3 Al3 Al4 O19 179.7(4) . .
O9 Al3 Al4 O19 8.4(4) . .
O12 Al3 Al4 O19 -87.3(3) . .
O20 Al3 Al4 O19 1.6(4) . .
O1 Al3 Al4 O19 -170.6(4) . .
Al2 Al3 Al4 O19 132.8(3) . .
Al5 Al3 Al4 O19 -118.6(3) . .
O6 Al3 Al4 O1 -89.0(3) . .
O3 Al3 Al4 O1 -9.7(4) . .
O9 Al3 Al4 O1 178.9(4) . .
O12 Al3 Al4 O1 83.3(3) . .
O20 Al3 Al4 O1 172.2(3) . .
Al2 Al3 Al4 O1 -56.6(2) . .
Al5 Al3 Al4 O1 52.0(2) . .
O6 Al3 Al4 Al4 -31.4(2) . 2_656
O3 Al3 Al4 Al4 47.9(4) . 2_656
O9 Al3 Al4 Al4 -123.5(3) . 2_656
O12 Al3 Al4 Al4 140.90(19) . 2_656
O20 Al3 Al4 Al4 -130.2(3) . 2_656
O1 Al3 Al4 Al4 57.6(2) . 2_656
Al2 Al3 Al4 Al4 1.01(19) . 2_656
Al5 Al3 Al4 Al4 109.57(14) . 2_656
O6 Al3 Al4 Al5 -140.95(17) . .
O3 Al3 Al4 Al5 -61.7(3) . .
O9 Al3 Al4 Al5 127.0(3) . .
O12 Al3 Al4 Al5 31.33(17) . .
O20 Al3 Al4 Al5 120.2(3) . .
O1 Al3 Al4 Al5 -52.0(2) . .
Al2 Al3 Al4 Al5 -108.56(13) . .
O6 Al3 Al5 O4 -79.1(3) . .
O3 Al3 Al5 O4 0.2(2) . .
O9 Al3 Al5 O4 -174.5(2) . .
O12 Al3 Al5 O4 88.4(3) . .
O20 Al3 Al5 O4 101.9(3) . .
O1 Al3 Al5 O4 -88.6(3) . .
Al2 Al3 Al5 O4 -32.5(2) . .
Al4 Al3 Al5 O4 -145.3(2) . .
O6 Al3 Al5 O10 94.2(3) . .
O3 Al3 Al5 O10 173.5(2) . .
O9 Al3 Al5 O10 -1.2(2) . .
O12 Al3 Al5 O10 -98.3(3) . .
O20 Al3 Al5 O10 -84.8(3) . .
O1 Al3 Al5 O10 84.7(3) . .
Al2 Al3 Al5 O10 140.8(2) . .
Al4 Al3 Al5 O10 27.99(18) . .
O6 Al3 Al5 O7 0.2(4) . .
O3 Al3 Al5 O7 79.5(3) . .
O9 Al3 Al5 O7 -95.2(3) . .
O12 Al3 Al5 O7 167.7(4) . .
O20 Al3 Al5 O7 -178.8(3) . .
O1 Al3 Al5 O7 -9.3(3) . .
Al2 Al3 Al5 O7 46.8(3) . .
Al4 Al3 Al5 O7 -66.0(3) . .
O6 Al3 Al5 O12 -167.5(4) . .
O3 Al3 Al5 O12 -88.2(3) . .
O9 Al3 Al5 O12 97.1(3) . .
O20 Al3 Al5 O12 13.5(3) . .
O1 Al3 Al5 O12 -177.0(3) . .
Al2 Al3 Al5 O12 -120.9(3) . .
Al4 Al3 Al5 O12 126.3(3) . .
O6 Al3 Al5 O16 -178.5(3) . .
O3 Al3 Al5 O16 -99.3(3) . .
O9 Al3 Al5 O16 86.1(3) . .
O12 Al3 Al5 O16 -11.0(3) . .
O20 Al3 Al5 O16 2.5(4) . .
O1 Al3 Al5 O16 171.9(3) . .
Al2 Al3 Al5 O16 -131.9(3) . .
Al4 Al3 Al5 O16 115.3(3) . .
O6 Al3 Al5 O1 9.6(3) . .
O3 Al3 Al5 O1 88.8(3) . .
O9 Al3 Al5 O1 -85.8(3) . .
O12 Al3 Al5 O1 177.0(3) . .
O20 Al3 Al5 O1 -169.5(3) . .
Al2 Al3 Al5 O1 56.1(2) . .
Al4 Al3 Al5 O1 -56.7(2) . .
O6 Al3 Al5 Al6 -45.4(3) . .
O3 Al3 Al5 Al6 33.9(2) . .
O9 Al3 Al5 Al6 -140.73(19) . .
O12 Al3 Al5 Al6 122.1(3) . .
O20 Al3 Al5 Al6 135.6(3) . .
O1 Al3 Al5 Al6 -54.9(2) . .
Al2 Al3 Al5 Al6 1.23(18) . .
Al4 Al3 Al5 Al6 -111.57(13) . .
O6 Al3 Al5 Al4 66.2(3) . .
O3 Al3 Al5 Al4 145.47(19) . .
O9 Al3 Al5 Al4 -29.16(17) . .
O12 Al3 Al5 Al4 -126.3(3) . .
O20 Al3 Al5 Al4 -112.8(3) . .
O1 Al3 Al5 Al4 56.7(2) . .
Al2 Al3 Al5 Al4 112.80(13) . .
O10 Al4 Al5 O4 -169.2(4) . .
O9 Al4 Al5 O4 92.8(3) . .
O8 Al4 Al5 O4 -78.0(4) . .
O8 Al4 Al5 O4 -0.7(4) 2_656 .
O19 Al4 Al5 O4 -179.3(4) . .
O1 Al4 Al5 O4 10.9(3) . .
Al4 Al4 Al5 O4 -44.3(4) 2_656 .
Al3 Al4 Al5 O4 62.9(3) . .
O9 Al4 Al5 O10 -98.0(3) . .
O8 Al4 Al5 O10 91.2(3) . .
O8 Al4 Al5 O10 168.5(4) 2_656 .
O19 Al4 Al5 O10 -10.1(3) . .
O1 Al4 Al5 O10 -179.9(3) . .
Al4 Al4 Al5 O10 124.9(3) 2_656 .
Al3 Al4 Al5 O10 -127.9(3) . .
O10 Al4 Al5 O7 -90.6(3) . .
O9 Al4 Al5 O7 171.4(2) . .
O8 Al4 Al5 O7 0.6(3) . .
O8 Al4 Al5 O7 77.9(3) 2_656 .
O19 Al4 Al5 O7 -100.7(3) . .
O1 Al4 Al5 O7 89.5(3) . .
Al4 Al4 Al5 O7 34.4(2) 2_656 .
Al3 Al4 Al5 O7 141.6(2) . .
O10 Al4 Al5 O12 97.5(3) . .
O9 Al4 Al5 O12 -0.5(2) . .
O8 Al4 Al5 O12 -171.2(2) . .
O8 Al4 Al5 O12 -93.9(3) 2_656 .
O19 Al4 Al5 O12 87.5(3) . .
O1 Al4 Al5 O12 -82.3(3) . .
Al4 Al4 Al5 O12 -137.5(2) 2_656 .
Al3 Al4 Al5 O12 -30.31(16) . .
O10 Al4 Al5 O16 9.3(3) . .
O9 Al4 Al5 O16 -88.7(3) . .
O8 Al4 Al5 O16 100.5(3) . .
O8 Al4 Al5 O16 177.8(3) 2_656 .
O19 Al4 Al5 O16 -0.8(4) . .
O1 Al4 Al5 O16 -170.6(3) . .
Al4 Al4 Al5 O16 134.2(2) 2_656 .
Al3 Al4 Al5 O16 -118.6(2) . .
O10 Al4 Al5 O1 179.9(3) . .
O9 Al4 Al5 O1 81.8(3) . .
O8 Al4 Al5 O1 -88.9(3) . .
O8 Al4 Al5 O1 -11.6(3) 2_656 .
O19 Al4 Al5 O1 169.8(3) . .
Al4 Al4 Al5 O1 -55.2(2) 2_656 .
Al3 Al4 Al5 O1 52.0(2) . .
O10 Al4 Al5 Al6 -123.1(3) . .
O9 Al4 Al5 Al6 138.85(19) . .
O8 Al4 Al5 Al6 -31.9(2) . .
O8 Al4 Al5 Al6 45.4(3) 2_656 .
O19 Al4 Al5 Al6 -133.2(3) . .
O1 Al4 Al5 Al6 57.0(2) . .
Al4 Al4 Al5 Al6 1.83(19) 2_656 .
Al3 Al4 Al5 Al6 109.03(13) . .
O10 Al4 Al5 Al3 127.9(3) . .
O9 Al4 Al5 Al3 29.82(18) . .
O8 Al4 Al5 Al3 -140.9(2) . .
O8 Al4 Al5 Al3 -63.6(3) 2_656 .
O19 Al4 Al5 Al3 117.8(3) . .
O1 Al4 Al5 Al3 -52.0(2) . .
Al4 Al4 Al5 Al3 -107.20(14) 2_656 .
O4 Al5 Al6 O13 18.6(4) . .
O10 Al5 Al6 O13 -158.4(3) . .
O7 Al5 Al6 O13 -172.9(4) . .
O12 Al5 Al6 O13 3.0(4) . .
O16 Al5 Al6 O13 102.0(3) . .
O1 Al5 Al6 O13 -77.1(3) . .
Al3 Al5 Al6 O13 -43.2(3) . .
Al4 Al5 Al6 O13 -114.5(3) . .
O10 Al5 Al6 O4 -177.0(4) . .
O7 Al5 Al6 O4 168.6(4) . .
O12 Al5 Al6 O4 -15.6(3) . .
O16 Al5 Al6 O4 83.4(3) . .
O1 Al5 Al6 O4 -95.7(3) . .
Al3 Al5 Al6 O4 -61.8(3) . .
Al4 Al5 Al6 O4 -133.0(3) . .
O4 Al5 Al6 O7 -168.6(4) . .
O10 Al5 Al6 O7 14.4(4) . .
O12 Al5 Al6 O7 175.9(4) . .
O16 Al5 Al6 O7 -85.1(3) . .
O1 Al5 Al6 O7 95.7(3) . .
Al3 Al5 Al6 O7 129.7(3) . .
Al4 Al5 Al6 O7 58.4(3) . .
O4 Al5 Al6 O11 176.8(4) . .
O10 Al5 Al6 O11 -0.2(4) . .
O7 Al5 Al6 O11 -14.6(4) . .
O12 Al5 Al6 O11 161.2(3) . .
O16 Al5 Al6 O11 -99.8(3) . .
O1 Al5 Al6 O11 81.1(3) . .
Al3 Al5 Al6 O11 115.0(3) . .
Al4 Al5 Al6 O11 43.7(3) . .
O4 Al5 Al6 O15 -83.5(3) . .
O10 Al5 Al6 O15 99.5(3) . .
O7 Al5 Al6 O15 85.0(3) . .
O12 Al5 Al6 O15 -99.1(3) . .
O16 Al5 Al6 O15 -0.1(3) . .
O1 Al5 Al6 O15 -179.2(2) . .
Al3 Al5 Al6 O15 -145.3(2) . .
Al4 Al5 Al6 O15 143.43(19) . .
O4 Al5 Al6 O2 96.8(3) . .
O10 Al5 Al6 O2 -80.2(3) . .
O7 Al5 Al6 O2 -94.6(3) . .
O12 Al5 Al6 O2 81.2(3) . .
O16 Al5 Al6 O2 -179.8(2) . .
O1 Al5 Al6 O2 1.1(2) . .
Al3 Al5 Al6 O2 35.03(19) . .
Al4 Al5 Al6 O2 -36.24(19) . .
O4 Al5 Al6 Al7 61.6(3) . .
O10 Al5 Al6 Al7 -115.4(3) . .
O7 Al5 Al6 Al7 -129.8(3) . .
O12 Al5 Al6 Al7 46.0(3) . .
O16 Al5 Al6 Al7 145.0(2) . .
O1 Al5 Al6 Al7 -34.12(19) . .
Al3 Al5 Al6 Al7 -0.19(17) . .
Al4 Al5 Al6 Al7 -71.46(15) . .
O4 Al5 Al6 Al2 132.1(3) . 2_656
O10 Al5 Al6 Al2 -44.9(3) . 2_656
O7 Al5 Al6 Al2 -59.4(3) . 2_656
O12 Al5 Al6 Al2 116.5(3) . 2_656
O16 Al5 Al6 Al2 -144.5(2) . 2_656
O1 Al5 Al6 Al2 36.36(19) . 2_656
Al3 Al5 Al6 Al2 70.29(16) . 2_656
Al4 Al5 Al6 Al2 -0.98(17) . 2_656
O4 Al6 Al7 O13 -88.6(3) . .
O7 Al6 Al7 O13 -166.9(4) . .
O11 Al6 Al7 O13 99.8(3) . .
O15 Al6 Al7 O13 13.3(3) . .
O2 Al6 Al7 O13 -177.2(3) . .
Al5 Al6 Al7 O13 -121.7(3) . .
Al2 Al6 Al7 O13 130.1(3) 2_656 .
O13 Al6 Al7 O5 86.9(3) . .
O4 Al6 Al7 O5 -1.7(2) . .
O7 Al6 Al7 O5 -80.0(3) . .
O11 Al6 Al7 O5 -173.3(2) . .
O15 Al6 Al7 O5 100.2(3) . .
O2 Al6 Al7 O5 -90.3(3) . .
Al5 Al6 Al7 O5 -34.8(2) . .
Al2 Al6 Al7 O5 -143.01(18) 2_656 .
O13 Al6 Al7 O5 166.9(4) . 2_656
O4 Al6 Al7 O5 78.3(3) . 2_656
O7 Al6 Al7 O5 0.0(4) . 2_656
O11 Al6 Al7 O5 -93.3(3) . 2_656
O15 Al6 Al7 O5 -179.8(3) . 2_656
O2 Al6 Al7 O5 -10.4(3) . 2_656
Al5 Al6 Al7 O5 45.2(3) . 2_656
Al2 Al6 Al7 O5 -63.0(2) 2_656 2_656
O13 Al6 Al7 O14 -101.3(3) . .
O4 Al6 Al7 O14 170.1(2) . .
O7 Al6 Al7 O14 91.8(3) . .
O11 Al6 Al7 O14 -1.5(2) . .
O15 Al6 Al7 O14 -88.0(3) . .
O2 Al6 Al7 O14 81.5(2) . .
Al5 Al6 Al7 O14 137.01(18) . .
Al2 Al6 Al7 O14 28.78(16) 2_656 .
O13 Al6 Al7 O18 -14.4(3) . .
O4 Al6 Al7 O18 -103.0(3) . .
O7 Al6 Al7 O18 178.7(3) . .
O11 Al6 Al7 O18 85.5(3) . .
O15 Al6 Al7 O18 -1.0(3) . .
O2 Al6 Al7 O18 168.4(3) . .
Al5 Al6 Al7 O18 -136.1(2) . .
Al2 Al6 Al7 O18 115.7(2) 2_656 .
O13 Al6 Al7 O2 177.2(3) . .
O4 Al6 Al7 O2 88.7(3) . .
O7 Al6 Al7 O2 10.3(3) . .
O11 Al6 Al7 O2 -82.9(2) . .
O15 Al6 Al7 O2 -169.4(3) . .
Al5 Al6 Al7 O2 55.6(2) . .
Al2 Al6 Al7 O2 -52.68(19) 2_656 .
O13 Al6 Al7 Al7 121.2(3) . 2_656
O4 Al6 Al7 Al7 32.6(2) . 2_656
O7 Al6 Al7 Al7 -45.8(3) . 2_656
O11 Al6 Al7 Al7 -139.01(19) . 2_656
O15 Al6 Al7 Al7 134.5(2) . 2_656
O2 Al6 Al7 Al7 -56.1(2) . 2_656
Al5 Al6 Al7 Al7 -0.52(17) . 2_656
Al2 Al6 Al7 Al7 -108.76(12) 2_656 2_656
O13 Al6 Al7 Al2 -130.1(3) . 2_656
O4 Al6 Al7 Al2 141.35(19) . 2_656
O7 Al6 Al7 Al2 63.0(3) . 2_656
O11 Al6 Al7 Al2 -30.24(17) . 2_656
O15 Al6 Al7 Al2 -116.7(2) . 2_656
O2 Al6 Al7 Al2 52.68(19) . 2_656
Al5 Al6 Al7 Al2 108.24(12) . 2_656
O28 Al9 Al10 O31 170.3(4) . .
O29 Al9 Al10 O31 -100.5(3) 2 .
O28 Al9 Al10 O31 90.3(3) 2 .
O38 Al9 Al10 O31 -10.9(3) . .
O22 Al9 Al10 O31 179.6(3) 2 .
Al9 Al9 Al10 O31 123.7(3) 2 .
Al14 Al9 Al10 O31 -127.8(3) 2 .
O28 Al9 Al10 O23 1.7(4) . .
O29 Al9 Al10 O23 91.0(3) 2 .
O31 Al9 Al10 O23 -168.5(4) . .
O28 Al9 Al10 O23 -78.2(3) 2 .
O38 Al9 Al10 O23 -179.4(3) . .
O22 Al9 Al10 O23 11.1(3) 2 .
Al9 Al9 Al10 O23 -44.8(3) 2 .
Al14 Al9 Al10 O23 63.7(3) 2 .
O28 Al9 Al10 O34 -92.1(3) . 2
O29 Al9 Al10 O34 -2.8(2) 2 2
O31 Al9 Al10 O34 97.7(3) . 2
O28 Al9 Al10 O34 -172.0(2) 2 2
O38 Al9 Al10 O34 86.8(3) . 2
O22 Al9 Al10 O34 -82.7(2) 2 2
Al9 Al9 Al10 O34 -138.63(18) 2 2
Al14 Al9 Al10 O34 -30.14(16) 2 2
O28 Al9 Al10 O26 80.7(3) . .
O29 Al9 Al10 O26 170.0(2) 2 .
O31 Al9 Al10 O26 -89.6(3) . .
O28 Al9 Al10 O26 0.7(2) 2 .
O38 Al9 Al10 O26 -100.4(3) . .
O22 Al9 Al10 O26 90.1(2) 2 .
Al9 Al9 Al10 O26 34.2(2) 2 .
Al14 Al9 Al10 O26 142.64(18) 2 .
O28 Al9 Al10 O37 -179.9(3) . .
O29 Al9 Al10 O37 -90.7(3) 2 .
O31 Al9 Al10 O37 9.8(3) . .
O28 Al9 Al10 O37 100.1(3) 2 .
O38 Al9 Al10 O37 -1.1(3) . .
O22 Al9 Al10 O37 -170.6(3) 2 .
Al9 Al9 Al10 O37 133.5(2) 2 .
Al14 Al9 Al10 O37 -118.0(2) 2 .
O28 Al9 Al10 O22 -9.4(3) . 2
O29 Al9 Al10 O22 79.9(2) 2 2
O31 Al9 Al10 O22 -179.6(3) . 2
O28 Al9 Al10 O22 -89.3(3) 2 2
O38 Al9 Al10 O22 169.5(3) . 2
Al9 Al9 Al10 O22 -55.9(2) 2 2
Al14 Al9 Al10 O22 52.6(2) 2 2
O28 Al9 Al10 Al11 47.5(3) . .
O29 Al9 Al10 Al11 136.79(18) 2 .
O31 Al9 Al10 Al11 -122.7(3) . .
O28 Al9 Al10 Al11 -32.4(2) 2 .
O38 Al9 Al10 Al11 -133.6(2) . .
O22 Al9 Al10 Al11 56.9(2) 2 .
Al9 Al9 Al10 Al11 0.98(17) 2 .
Al14 Al9 Al10 Al11 109.47(12) 2 .
O28 Al9 Al10 Al14 -61.9(3) . 2
O29 Al9 Al10 Al14 27.33(17) 2 2
O31 Al9 Al10 Al14 127.8(3) . 2
O28 Al9 Al10 Al14 -141.91(19) 2 2
O38 Al9 Al10 Al14 116.9(2) . 2
O22 Al9 Al10 Al14 -52.6(2) 2 2
Al9 Al9 Al10 Al14 -108.49(13) 2 2
O31 Al10 Al11 O23 -179.0(4) . .
O34 Al10 Al11 O23 -14.8(3) 2 .
O26 Al10 Al11 O23 169.0(4) . .
O37 Al10 Al11 O23 82.5(3) . .
O22 Al10 Al11 O23 -97.2(3) 2 .
Al14 Al10 Al11 O23 -61.2(3) 2 .
Al9 Al10 Al11 O23 -133.4(3) . .
O31 Al10 Al11 O32 -162.1(3) . .
O23 Al10 Al11 O32 16.9(3) . .
O34 Al10 Al11 O32 2.1(4) 2 .
O26 Al10 Al11 O32 -174.1(4) . .
O37 Al10 Al11 O32 99.4(3) . .
O22 Al10 Al11 O32 -80.3(3) 2 .
Al14 Al10 Al11 O32 -44.3(3) 2 .
Al9 Al10 Al11 O32 -116.5(2) . .
O31 Al10 Al11 O26 12.0(3) . .
O23 Al10 Al11 O26 -169.0(4) . .
O34 Al10 Al11 O26 176.2(4) 2 .
O37 Al10 Al11 O26 -86.5(3) . .
O22 Al10 Al11 O26 93.8(3) 2 .
Al14 Al10 Al11 O26 129.8(3) 2 .
Al9 Al10 Al11 O26 57.6(3) . .
O31 Al10 Al11 O30 -1.0(4) . .
O23 Al10 Al11 O30 178.0(3) . .
O34 Al10 Al11 O30 163.2(3) 2 .
O26 Al10 Al11 O30 -12.9(3) . .
O37 Al10 Al11 O30 -99.4(3) . .
O22 Al10 Al11 O30 80.9(3) 2 .
Al14 Al10 Al11 O30 116.9(2) 2 .
Al9 Al10 Al11 O30 44.7(3) . .
O31 Al10 Al11 O36 95.8(3) . .
O23 Al10 Al11 O36 -85.2(3) . .
O34 Al10 Al11 O36 -100.0(3) 2 .
O26 Al10 Al11 O36 83.8(3) . .
O37 Al10 Al11 O36 -2.7(2) . .
O22 Al10 Al11 O36 177.6(2) 2 .
Al14 Al10 Al11 O36 -146.41(18) 2 .
Al9 Al10 Al11 O36 141.39(18) . .
O31 Al10 Al11 O21 -81.6(3) . .
O23 Al10 Al11 O21 97.5(3) . .
O34 Al10 Al11 O21 82.7(3) 2 .
O26 Al10 Al11 O21 -93.5(3) . .
O37 Al10 Al11 O21 180.0(2) . .
O22 Al10 Al11 O21 0.3(2) 2 .
Al14 Al10 Al11 O21 36.28(19) 2 .
Al9 Al10 Al11 O21 -35.92(18) . .
O31 Al10 Al11 Al13 -47.0(3) . .
O23 Al10 Al11 Al13 132.0(3) . .
O34 Al10 Al11 Al13 117.2(3) 2 .
O26 Al10 Al11 Al13 -59.0(2) . .
O37 Al10 Al11 Al13 -145.50(17) . .
O22 Al10 Al11 Al13 34.82(18) 2 .
Al14 Al10 Al11 Al13 70.81(15) 2 .
Al9 Al10 Al11 Al13 -1.39(15) . .
O31 Al10 Al11 Al12 -117.3(3) . .
O23 Al10 Al11 Al12 61.7(3) . .
O34 Al10 Al11 Al12 46.9(3) 2 .
O26 Al10 Al11 Al12 -129.3(3) . .
O37 Al10 Al11 Al12 144.20(18) . .
O22 Al10 Al11 Al12 -35.48(18) 2 .
Al14 Al10 Al11 Al12 0.52(17) 2 .
Al9 Al10 Al11 Al12 -71.68(14) . .
O23 Al11 Al12 O33 170.1(2) . .
O32 Al11 Al12 O33 -103.7(3) . .
O26 Al11 Al12 O33 88.9(3) . .
O30 Al11 Al12 O33 -2.0(2) . .
O36 Al11 Al12 O33 -87.6(3) . .
O21 Al11 Al12 O33 80.4(2) . .
Al10 Al11 Al12 O33 136.39(18) . .
Al13 Al11 Al12 O33 27.71(16) . .
O23 Al11 Al12 O24 77.8(3) . 2
O32 Al11 Al12 O24 163.9(4) . 2
O26 Al11 Al12 O24 -3.4(4) . 2
O30 Al11 Al12 O24 -94.3(3) . 2
O36 Al11 Al12 O24 -180.0(3) . 2
O21 Al11 Al12 O24 -11.9(3) . 2
Al10 Al11 Al12 O24 44.1(3) . 2
Al13 Al11 Al12 O24 -64.6(3) . 2
O23 Al11 Al12 O24 -0.9(2) . .
O32 Al11 Al12 O24 85.3(3) . .
O26 Al11 Al12 O24 -82.1(3) . .
O30 Al11 Al12 O24 -173.0(2) . .
O36 Al11 Al12 O24 101.4(3) . .
O21 Al11 Al12 O24 -90.6(3) . .
Al10 Al11 Al12 O24 -34.6(2) . .
Al13 Al11 Al12 O24 -143.30(19) . .
O23 Al11 Al12 O32 -86.2(3) . .
O26 Al11 Al12 O32 -167.3(4) . .
O30 Al11 Al12 O32 101.7(3) . .
O36 Al11 Al12 O32 16.1(3) . .
O21 Al11 Al12 O32 -175.8(3) . .
Al10 Al11 Al12 O32 -119.9(3) . .
Al13 Al11 Al12 O32 131.4(3) . .
O23 Al11 Al12 O39 -101.0(3) . .
O32 Al11 Al12 O39 -14.8(3) . .
O26 Al11 Al12 O39 177.9(3) . .
O30 Al11 Al12 O39 86.9(3) . .
O36 Al11 Al12 O39 1.3(3) . .
O21 Al11 Al12 O39 169.3(3) . .
Al10 Al11 Al12 O39 -134.7(2) . .
Al13 Al11 Al12 O39 116.6(2) . .
O23 Al11 Al12 O21 89.7(3) . .
O32 Al11 Al12 O21 175.8(3) . .
O26 Al11 Al12 O21 8.5(3) . .
O30 Al11 Al12 O21 -82.4(2) . .
O36 Al11 Al12 O21 -168.1(3) . .
Al10 Al11 Al12 O21 56.0(2) . .
Al13 Al11 Al12 O21 -52.7(2) . .
O23 Al11 Al12 Al12 33.5(2) . 2
O32 Al11 Al12 Al12 119.7(3) . 2
O26 Al11 Al12 Al12 -47.6(3) . 2
O30 Al11 Al12 Al12 -138.55(18) . 2
O36 Al11 Al12 Al12 135.8(2) . 2
O21 Al11 Al12 Al12 -56.1(2) . 2
Al10 Al11 Al12 Al12 -0.15(18) . 2
Al13 Al11 Al12 Al12 -108.84(13) . 2
O23 Al11 Al12 Al13 142.39(18) . .
O32 Al11 Al12 Al13 -131.4(3) . .
O26 Al11 Al12 Al13 61.2(3) . .
O30 Al11 Al12 Al13 -29.71(16) . .
O36 Al11 Al12 Al13 -115.4(2) . .
O21 Al11 Al12 Al13 52.7(2) . .
Al10 Al11 Al12 Al13 108.69(12) . .
O23 Al11 Al13 O33 -93.5(3) . .
O32 Al11 Al13 O33 -0.6(2) . .
O26 Al11 Al13 O33 -171.4(2) . .
O30 Al11 Al13 O33 100.2(3) . .
O36 Al11 Al13 O33 90.7(3) . .
O21 Al11 Al13 O33 -82.3(2) . .
Al10 Al11 Al13 O33 -137.89(17) . .
Al12 Al11 Al13 O33 -27.68(16) . .
O23 Al11 Al13 O25 3.0(4) . .
O32 Al11 Al13 O25 95.8(3) . .
O26 Al11 Al13 O25 -74.9(3) . .
O30 Al11 Al13 O25 -163.3(4) . .
O36 Al11 Al13 O25 -172.9(3) . .
O21 Al11 Al13 O25 14.1(3) . .
Al10 Al11 Al13 O25 -41.5(3) . .
Al12 Al11 Al13 O25 68.7(3) . .
O23 Al11 Al13 O27 78.5(3) . .
O32 Al11 Al13 O27 171.4(2) . .
O26 Al11 Al13 O27 0.7(2) . .
O30 Al11 Al13 O27 -87.8(3) . .
O36 Al11 Al13 O27 -97.3(3) . .
O21 Al11 Al13 O27 89.7(2) . .
Al10 Al11 Al13 O27 34.11(19) . .
Al12 Al11 Al13 O27 144.33(17) . .
O23 Al11 Al13 O30 166.3(4) . .
O32 Al11 Al13 O30 -100.8(3) . .
O26 Al11 Al13 O30 88.4(3) . .
O36 Al11 Al13 O30 -9.5(3) . .
O21 Al11 Al13 O30 177.4(3) . .
Al10 Al11 Al13 O30 121.9(3) . .
Al12 Al11 Al13 O30 -127.9(2) . .
O23 Al11 Al13 O35 178.2(3) . .
O32 Al11 Al13 O35 -88.9(3) . .
O26 Al11 Al13 O35 100.3(3) . .
O30 Al11 Al13 O35 11.9(3) . .
O36 Al11 Al13 O35 2.3(3) . .
O21 Al11 Al13 O35 -170.7(3) . .
Al10 Al11 Al13 O35 133.8(2) . .
Al12 Al11 Al13 O35 -116.0(2) . .
O23 Al11 Al13 O21 -11.1(3) . .
O32 Al11 Al13 O21 81.8(2) . .
O26 Al11 Al13 O21 -89.0(3) . .
O30 Al11 Al13 O21 -177.4(3) . .
O36 Al11 Al13 O21 173.1(3) . .
Al10 Al11 Al13 O21 -55.5(2) . .
Al12 Al11 Al13 O21 54.7(2) . .
O23 Al11 Al13 Al14 46.3(3) . .
O32 Al11 Al13 Al14 139.20(17) . .
O26 Al11 Al13 Al14 -31.58(19) . .
O30 Al11 Al13 Al14 -120.0(3) . .
O36 Al11 Al13 Al14 -129.5(2) . .
O21 Al11 Al13 Al14 57.4(2) . .
Al10 Al11 Al13 Al14 1.88(15) . .
Al12 Al11 Al13 Al14 112.09(11) . .
O23 Al11 Al13 Al12 -65.8(3) . .
O32 Al11 Al13 Al12 27.10(16) . .
O26 Al11 Al13 Al12 -143.68(17) . .
O30 Al11 Al13 Al12 127.9(2) . .
O36 Al11 Al13 Al12 118.4(2) . .
O21 Al11 Al13 Al12 -54.7(2) . .
Al10 Al11 Al13 Al12 -110.21(11) . .
O24 Al12 Al13 O33 -86.9(3) 2 .
O24 Al12 Al13 O33 -165.2(4) . .
O32 Al12 Al13 O33 102.9(3) . .
O39 Al12 Al13 O33 12.7(3) . .
O21 Al12 Al13 O33 -178.8(4) . .
Al12 Al12 Al13 O33 -121.6(3) 2 .
Al11 Al12 Al13 O33 129.8(3) . .
O33 Al12 Al13 O25 88.4(3) . .
O24 Al12 Al13 O25 1.4(2) 2 .
O24 Al12 Al13 O25 -76.9(3) . .
O32 Al12 Al13 O25 -168.7(2) . .
O39 Al12 Al13 O25 101.0(3) . .
O21 Al12 Al13 O25 -90.4(3) . .
Al12 Al12 Al13 O25 -33.3(2) 2 .
Al11 Al12 Al13 O25 -141.88(18) . .
O33 Al12 Al13 O27 169.9(4) . .
O24 Al12 Al13 O27 83.0(3) 2 .
O24 Al12 Al13 O27 4.7(4) . .
O32 Al12 Al13 O27 -87.2(3) . .
O39 Al12 Al13 O27 -177.4(3) . .
O21 Al12 Al13 O27 -8.9(3) . .
Al12 Al12 Al13 O27 48.3(3) 2 .
Al11 Al12 Al13 O27 -60.3(3) . .
O33 Al12 Al13 O30 -99.9(3) . .
O24 Al12 Al13 O30 173.2(2) 2 .
O24 Al12 Al13 O30 94.9(3) . .
O32 Al12 Al13 O30 3.0(2) . .
O39 Al12 Al13 O30 -87.2(3) . .
O21 Al12 Al13 O30 81.3(3) . .
Al12 Al12 Al13 O30 138.49(18) 2 .
Al11 Al12 Al13 O30 29.87(15) . .
O33 Al12 Al13 O35 -11.3(3) . .
O24 Al12 Al13 O35 -98.3(3) 2 .
O24 Al12 Al13 O35 -176.6(3) . .
O32 Al12 Al13 O35 91.6(3) . .
O39 Al12 Al13 O35 1.3(4) . .
O21 Al12 Al13 O35 169.9(3) . .
Al12 Al12 Al13 O35 -133.0(2) 2 .
Al11 Al12 Al13 O35 118.4(2) . .
O33 Al12 Al13 O21 178.8(4) . .
O24 Al12 Al13 O21 91.9(3) 2 .
O24 Al12 Al13 O21 13.6(3) . .
O32 Al12 Al13 O21 -78.3(3) . .
O39 Al12 Al13 O21 -168.6(3) . .
Al12 Al12 Al13 O21 57.2(2) 2 .
Al11 Al12 Al13 O21 -51.5(2) . .
O33 Al12 Al13 Al14 122.1(3) . .
O24 Al12 Al13 Al14 35.2(2) 2 .
O24 Al12 Al13 Al14 -43.1(3) . .
O32 Al12 Al13 Al14 -135.00(18) . .
O39 Al12 Al13 Al14 134.8(2) . .
O21 Al12 Al13 Al14 -56.7(2) . .
Al12 Al12 Al13 Al14 0.47(19) 2 .
Al11 Al12 Al13 Al14 -108.15(13) . .
O33 Al12 Al13 Al11 -129.8(3) . .
O24 Al12 Al13 Al11 143.31(17) 2 .
O24 Al12 Al13 Al11 65.0(3) . .
O32 Al12 Al13 Al11 -26.85(16) . .
O39 Al12 Al13 Al11 -117.1(2) . .
O21 Al12 Al13 Al11 51.5(2) . .
Al12 Al12 Al13 Al11 108.62(13) 2 .
O33 Al13 Al14 O29 158.6(3) . .
O25 Al13 Al14 O29 175.6(4) . .
O27 Al13 Al14 O29 -15.0(3) . .
O30 Al13 Al14 O29 -4.3(4) . .
O35 Al13 Al14 O29 -102.2(3) . .
O21 Al13 Al14 O29 77.0(3) . .
Al11 Al13 Al14 O29 41.9(3) . .
Al12 Al13 Al14 O29 113.6(3) . .
O33 Al13 Al14 O27 173.7(4) . .
O25 Al13 Al14 O27 -169.4(4) . .
O30 Al13 Al14 O27 10.7(3) . .
O35 Al13 Al14 O27 -87.1(3) . .
O21 Al13 Al14 O27 92.1(3) . .
Al11 Al13 Al14 O27 57.0(2) . .
Al12 Al13 Al14 O27 128.6(3) . .
O33 Al13 Al14 O34 -0.8(4) . .
O25 Al13 Al14 O34 16.2(3) . .
O27 Al13 Al14 O34 -174.4(4) . .
O30 Al13 Al14 O34 -163.7(3) . .
O35 Al13 Al14 O34 98.4(3) . .
O21 Al13 Al14 O34 -82.4(3) . .
Al11 Al13 Al14 O34 -117.5(3) . .
Al12 Al13 Al14 O34 -45.8(3) . .
O33 Al13 Al14 O25 -17.0(3) . .
O27 Al13 Al14 O25 169.4(4) . .
O30 Al13 Al14 O25 -179.9(3) . .
O35 Al13 Al14 O25 82.2(3) . .
O21 Al13 Al14 O25 -98.6(3) . .
Al11 Al13 Al14 O25 -133.7(3) . .
Al12 Al13 Al14 O25 -62.1(2) . .
O33 Al13 Al14 O40 -101.0(3) . .
O25 Al13 Al14 O40 -84.0(3) . .
O27 Al13 Al14 O40 85.3(3) . .
O30 Al13 Al14 O40 96.0(3) . .
O35 Al13 Al14 O40 -1.8(3) . .
O21 Al13 Al14 O40 177.4(3) . .
Al11 Al13 Al14 O40 142.3(2) . .
Al12 Al13 Al14 O40 -146.1(2) . .
O33 Al13 Al14 O22 80.0(3) . .
O25 Al13 Al14 O22 96.9(3) . .
O27 Al13 Al14 O22 -93.7(3) . .
O30 Al13 Al14 O22 -83.0(3) . .
O35 Al13 Al14 O22 179.2(2) . .
O21 Al13 Al14 O22 -1.6(2) . .
Al11 Al13 Al14 O22 -36.72(19) . .
Al12 Al13 Al14 O22 34.9(2) . .
O33 Al13 Al14 Al10 45.0(3) . 2
O25 Al13 Al14 Al10 61.9(2) . 2
O27 Al13 Al14 Al10 -128.7(3) . 2
O30 Al13 Al14 Al10 -118.0(2) . 2
O35 Al13 Al14 Al10 144.16(19) . 2
O21 Al13 Al14 Al10 -36.62(19) . 2
Al11 Al13 Al14 Al10 -71.73(15) . 2
Al12 Al13 Al14 Al10 -0.11(18) . 2
O33 Al13 Al14 Al9 114.7(3) . 2
O25 Al13 Al14 Al9 131.7(3) . 2
O27 Al13 Al14 Al9 -59.0(3) . 2
O30 Al13 Al14 Al9 -48.2(3) . 2
O35 Al13 Al14 Al9 -146.11(18) . 2
O21 Al13 Al14 Al9 33.12(19) . 2
Al11 Al13 Al14 Al9 -1.99(16) . 2
Al12 Al13 Al14 Al9 69.62(16) . 2
O1 Al1 O1 Al5 -118.8(3) 2_656 .
O2 Al1 O1 Al5 1.2(4) . .
O2 Al1 O1 Al5 121.1(3) 2_656 .
O1 Al1 O1 Al3 116.9(3) 2_656 .
O2 Al1 O1 Al3 -123.0(3) . .
O2 Al1 O1 Al3 -3.2(4) 2_656 .
O1 Al1 O1 Al4 -0.38(18) 2_656 .
O2 Al1 O1 Al4 119.7(3) . .
O2 Al1 O1 Al4 -120.5(3) 2_656 .
O4 Al5 O1 Al1 -40.0(4) . .
O10 Al5 O1 Al1 133.1(3) . .
O7 Al5 O1 Al1 37.2(4) . .
O12 Al5 O1 Al1 -134.6(3) . .
O16 Al5 O1 Al1 -176.5(14) . .
Al6 Al5 O1 Al1 -1.5(3) . .
Al3 Al5 O1 Al1 -136.5(4) . .
Al4 Al5 O1 Al1 133.1(4) . .
O4 Al5 O1 Al3 96.5(2) . .
O10 Al5 O1 Al3 -90.4(2) . .
O7 Al5 O1 Al3 173.7(2) . .
O12 Al5 O1 Al3 1.9(2) . .
O16 Al5 O1 Al3 -40.0(16) . .
Al6 Al5 O1 Al3 135.02(17) . .
Al4 Al5 O1 Al3 -90.5(2) . .
O4 Al5 O1 Al4 -173.1(2) . .
O10 Al5 O1 Al4 0.1(2) . .
O7 Al5 O1 Al4 -95.9(2) . .
O12 Al5 O1 Al4 92.3(2) . .
O16 Al5 O1 Al4 50.4(16) . .
Al6 Al5 O1 Al4 -134.53(16) . .
Al3 Al5 O1 Al4 90.5(2) . .
O6 Al3 O1 Al1 -36.5(3) . .
O3 Al3 O1 Al1 41.4(4) . .
O9 Al3 O1 Al1 -133.1(3) . .
O12 Al3 O1 Al1 135.1(3) . .
O20 Al3 O1 Al1 -171.1(14) . .
Al2 Al3 O1 Al1 3.0(3) . .
Al4 Al3 O1 Al1 -132.4(4) . .
Al5 Al3 O1 Al1 137.0(4) . .
O6 Al3 O1 Al5 -173.5(2) . .
O3 Al3 O1 Al5 -95.7(2) . .
O9 Al3 O1 Al5 89.9(2) . .
O12 Al3 O1 Al5 -1.9(2) . .
O20 Al3 O1 Al5 51.9(16) . .
Al2 Al3 O1 Al5 -134.06(17) . .
Al4 Al3 O1 Al5 90.6(2) . .
O6 Al3 O1 Al4 96.0(2) . .
O3 Al3 O1 Al4 173.8(2) . .
O9 Al3 O1 Al4 -0.6(2) . .
O12 Al3 O1 Al4 -92.5(2) . .
O20 Al3 O1 Al4 -38.7(16) . .
Al2 Al3 O1 Al4 135.37(17) . .
Al5 Al3 O1 Al4 -90.6(2) . .
O10 Al4 O1 Al1 -133.7(3) . .
O9 Al4 O1 Al1 133.1(3) . .
O8 Al4 O1 Al1 -38.3(4) . .
O8 Al4 O1 Al1 38.4(3) 2_656 .
O19 Al4 O1 Al1 177.2(13) . .
Al4 Al4 O1 Al1 0.7(3) 2_656 .
Al3 Al4 O1 Al1 132.4(4) . .
Al5 Al4 O1 Al1 -133.6(4) . .
O10 Al4 O1 Al5 -0.1(2) . .
O9 Al4 O1 Al5 -93.3(2) . .
O8 Al4 O1 Al5 95.4(2) . .
O8 Al4 O1 Al5 172.0(2) 2_656 .
O19 Al4 O1 Al5 -49.2(15) . .
Al4 Al4 O1 Al5 134.29(18) 2_656 .
Al3 Al4 O1 Al5 -94.0(2) . .
O10 Al4 O1 Al3 93.9(2) . .
O9 Al4 O1 Al3 0.7(2) . .
O8 Al4 O1 Al3 -170.7(2) . .
O8 Al4 O1 Al3 -94.0(2) 2_656 .
O19 Al4 O1 Al3 44.8(15) . .
Al4 Al4 O1 Al3 -131.73(19) 2_656 .
Al5 Al4 O1 Al3 94.0(2) . .
O1 Al1 O2 Al2 1.2(4) 2_656 2_656
O1 Al1 O2 Al2 -119.6(3) . 2_656
O2 Al1 O2 Al2 120.9(3) 2_656 2_656
O1 Al1 O2 Al6 120.9(3) 2_656 .
O1 Al1 O2 Al6 0.0(4) . .
O2 Al1 O2 Al6 -119.5(3) 2_656 .
O1 Al1 O2 Al7 -120.0(3) 2_656 .
O1 Al1 O2 Al7 119.2(3) . .
O2 Al1 O2 Al7 -0.35(17) 2_656 .
O13 Al6 O2 Al1 132.1(3) . .
O4 Al6 O2 Al1 37.0(3) . .
O7 Al6 O2 Al1 -39.3(3) . .
O11 Al6 O2 Al1 -134.2(3) . .
O15 Al6 O2 Al1 -179(100) . .
Al5 Al6 O2 Al1 -0.8(3) . .
Al7 Al6 O2 Al1 133.7(4) . .
Al2 Al6 O2 Al1 -133.8(4) 2_656 .
O13 Al6 O2 Al2 -94.1(2) . 2_656
O4 Al6 O2 Al2 170.8(2) . 2_656
O7 Al6 O2 Al2 94.5(2) . 2_656
O11 Al6 O2 Al2 -0.4(2) . 2_656
O15 Al6 O2 Al2 -45.3(12) . 2_656
Al5 Al6 O2 Al2 133.03(16) . 2_656
Al7 Al6 O2 Al2 -92.5(2) . 2_656
O13 Al6 O2 Al7 -1.7(2) . .
O4 Al6 O2 Al7 -96.7(2) . .
O7 Al6 O2 Al7 -173.0(2) . .
O11 Al6 O2 Al7 92.1(2) . .
O15 Al6 O2 Al7 47.1(12) . .
Al5 Al6 O2 Al7 -134.52(15) . .
Al2 Al6 O2 Al7 92.5(2) 2_656 .
O13 Al7 O2 Al1 -131.5(3) . .
O5 Al7 O2 Al1 -38.3(3) . .
O5 Al7 O2 Al1 40.0(3) 2_656 .
O14 Al7 O2 Al1 133.9(3) . .
O18 Al7 O2 Al1 173.1(11) . .
Al7 Al7 O2 Al1 0.6(3) 2_656 .
Al6 Al7 O2 Al1 -133.2(4) . .
Al2 Al7 O2 Al1 134.7(4) 2_656 .
O13 Al7 O2 Al2 93.8(2) . 2_656
O5 Al7 O2 Al2 -173.0(2) . 2_656
O5 Al7 O2 Al2 -94.7(2) 2_656 2_656
O14 Al7 O2 Al2 -0.8(2) . 2_656
O18 Al7 O2 Al2 38.4(13) . 2_656
Al7 Al7 O2 Al2 -134.12(17) 2_656 2_656
Al6 Al7 O2 Al2 92.1(2) . 2_656
O13 Al7 O2 Al6 1.7(2) . .
O5 Al7 O2 Al6 94.9(2) . .
O5 Al7 O2 Al6 173.18(19) 2_656 .
O14 Al7 O2 Al6 -92.9(2) . .
O18 Al7 O2 Al6 -53.7(13) . .
Al7 Al7 O2 Al6 133.80(16) 2_656 .
Al2 Al7 O2 Al6 -92.1(2) 2_656 .
O6 Al2 O3 Al3 -5.3(2) . .
O11 Al2 O3 Al3 13.1(19) 2_656 .
O14 Al2 O3 Al3 168.6(2) 2_656 .
O17 Al2 O3 Al3 -97.4(3) . .
O2 Al2 O3 Al3 86.0(2) 2_656 .
Al6 Al2 O3 Al3 77.7(3) 2_656 .
Al7 Al2 O3 Al3 130.38(19) 2_656 .
O6 Al3 O3 Al2 5.3(2) . .
O9 Al3 O3 Al2 -17(3) . .
O12 Al3 O3 Al2 -171.5(2) . .
O20 Al3 O3 Al2 97.4(3) . .
O1 Al3 O3 Al2 -88.1(3) . .
Al4 Al3 O3 Al2 -81.0(3) . .
Al5 Al3 O3 Al2 -131.28(19) . .
O10 Al5 O4 Al6 17(2) . .
O7 Al5 O4 Al6 -7.3(3) . .
O12 Al5 O4 Al6 168.6(2) . .
O16 Al5 O4 Al6 -100.1(3) . .
O1 Al5 O4 Al6 86.6(3) . .
Al3 Al5 O4 Al6 129.8(2) . .
Al4 Al5 O4 Al6 78.7(4) . .
O13 Al6 O4 Al5 -166.3(3) . .
O7 Al6 O4 Al5 7.3(3) . .
O11 Al6 O4 Al5 -14.7(17) . .
O15 Al6 O4 Al5 101.5(3) . .
O2 Al6 O4 Al5 -85.2(3) . .
Al7 Al6 O4 Al5 -129.8(2) . .
Al2 Al6 O4 Al5 -75.8(3) 2_656 .
O13 Al7 O5 Al7 166.0(2) . 2_656
O5 Al7 O5 Al7 -9.4(3) 2_656 2_656
O14 Al7 O5 Al7 21.8(18) . 2_656
O18 Al7 O5 Al7 -101.1(3) . 2_656
O2 Al7 O5 Al7 84.7(2) . 2_656
Al6 Al7 O5 Al7 129.11(17) . 2_656
Al2 Al7 O5 Al7 77.5(3) 2_656 2_656
O3 Al2 O6 Al3 5.3(2) . .
O11 Al2 O6 Al3 -172.2(2) 2_656 .
O14 Al2 O6 Al3 -43.9(19) 2_656 .
O17 Al2 O6 Al3 97.1(3) . .
O2 Al2 O6 Al3 -88.7(2) 2_656 .
Al6 Al2 O6 Al3 -133.02(18) 2_656 .
Al7 Al2 O6 Al3 -83.8(3) 2_656 .
O3 Al3 O6 Al2 -5.2(2) . .
O9 Al3 O6 Al2 172.5(2) . .
O12 Al3 O6 Al2 15.9(17) . .
O20 Al3 O6 Al2 -99.0(2) . .
O1 Al3 O6 Al2 88.3(2) . .
Al4 Al3 O6 Al2 134.80(18) . .
Al5 Al3 O6 Al2 81.7(3) . .
O4 Al5 O7 Al6 7.3(3) . .
O10 Al5 O7 Al6 -169.7(3) . .
O12 Al5 O7 Al6 -20(2) . .
O16 Al5 O7 Al6 98.8(3) . .
O1 Al5 O7 Al6 -86.6(3) . .
Al3 Al5 O7 Al6 -80.2(4) . .
Al4 Al5 O7 Al6 -133.1(2) . .
O13 Al6 O7 Al5 31.0(17) . .
O4 Al6 O7 Al5 -7.2(3) . .
O11 Al6 O7 Al5 169.3(3) . .
O15 Al6 O7 Al5 -100.4(3) . .
O2 Al6 O7 Al5 87.0(3) . .
Al7 Al6 O7 Al5 79.8(4) . .
Al2 Al6 O7 Al5 130.8(2) 2_656 .
O10 Al4 O8 Al4 166.9(2) . 2_656
O9 Al4 O8 Al4 23.5(19) . 2_656
O8 Al4 O8 Al4 -6.3(3) 2_656 2_656
O19 Al4 O8 Al4 -99.6(3) . 2_656
O1 Al4 O8 Al4 86.5(3) . 2_656
Al3 Al4 O8 Al4 77.2(4) . 2_656
Al5 Al4 O8 Al4 129.8(2) . 2_656
O10 Al4 O9 Al3 -80.4(3) . .
O8 Al4 O9 Al3 63.2(18) . .
O8 Al4 O9 Al3 92.2(3) 2_656 .
O19 Al4 O9 Al3 -173.5(3) . .
O1 Al4 O9 Al3 -0.7(3) . .
Al4 Al4 O9 Al3 82.9(3) 2_656 .
Al5 Al4 O9 Al3 -43.9(2) . .
O6 Al3 O9 Al4 -92.8(3) . .
O3 Al3 O9 Al4 -71(3) . .
O12 Al3 O9 Al4 83.7(3) . .
O20 Al3 O9 Al4 174.5(3) . .
O1 Al3 O9 Al4 0.8(3) . .
Al2 Al3 O9 Al4 -86.0(3) . .
Al5 Al3 O9 Al4 44.0(2) . .
O9 Al4 O10 Al5 81.3(3) . .
O8 Al4 O10 Al5 -93.0(3) . .
O8 Al4 O10 Al5 -51.8(16) 2_656 .
O19 Al4 O10 Al5 172.2(3) . .
O1 Al4 O10 Al5 0.1(2) . .
Al4 Al4 O10 Al5 -81.6(3) 2_656 .
Al3 Al4 O10 Al5 43.4(2) . .
O4 Al5 O10 Al4 70(2) . .
O7 Al5 O10 Al4 94.1(3) . .
O12 Al5 O10 Al4 -81.5(3) . .
O16 Al5 O10 Al4 -172.6(3) . .
O1 Al5 O10 Al4 -0.1(3) . .
Al6 Al5 O10 Al4 85.0(3) . .
Al3 Al5 O10 Al4 -43.3(2) . .
O13 Al6 O11 Al2 80.6(3) . 2_656
O4 Al6 O11 Al2 -71.1(16) . 2_656
O7 Al6 O11 Al2 -92.6(3) . 2_656
O15 Al6 O11 Al2 172.3(3) . 2_656
O2 Al6 O11 Al2 0.4(2) . 2_656
Al5 Al6 O11 Al2 -83.5(3) . 2_656
Al7 Al6 O11 Al2 44.9(2) . 2_656
O6 Al3 O12 Al5 75.2(17) . .
O3 Al3 O12 Al5 95.9(3) . .
O9 Al3 O12 Al5 -81.6(3) . .
O20 Al3 O12 Al5 -169.7(3) . .
O1 Al3 O12 Al5 2.0(2) . .
Al2 Al3 O12 Al5 88.8(3) . .
Al4 Al3 O12 Al5 -44.4(2) . .
O4 Al5 O12 Al3 -96.3(3) . .
O10 Al5 O12 Al3 80.3(3) . .
O7 Al5 O12 Al3 -70(2) . .
O16 Al5 O12 Al3 171.5(3) . .
O1 Al5 O12 Al3 -2.0(2) . .
Al6 Al5 O12 Al3 -86.6(3) . .
Al4 Al5 O12 Al3 44.3(2) . .
O4 Al6 O13 Al7 96.1(3) . .
O7 Al6 O13 Al7 58.9(16) . .
O11 Al6 O13 Al7 -79.5(3) . .
O15 Al6 O13 Al7 -169.4(3) . .
O2 Al6 O13 Al7 2.0(2) . .
Al5 Al6 O13 Al7 84.7(3) . .
Al2 Al6 O13 Al7 -41.7(2) 2_656 .
O5 Al7 O13 Al6 -96.9(3) . .
O5 Al7 O13 Al6 -67.8(16) 2_656 .
O14 Al7 O13 Al6 78.1(3) . .
O18 Al7 O13 Al6 168.8(2) . .
O2 Al7 O13 Al6 -1.9(2) . .
Al7 Al7 O13 Al6 -85.1(3) 2_656 .
Al2 Al7 O13 Al6 41.5(2) 2_656 .
O13 Al7 O14 Al2 -79.4(3) . 2_656
O5 Al7 O14 Al2 64.9(17) . 2_656
O5 Al7 O14 Al2 95.3(3) 2_656 2_656
O18 Al7 O14 Al2 -172.0(3) . 2_656
O2 Al7 O14 Al2 0.9(2) . 2_656
Al7 Al7 O14 Al2 83.5(3) 2_656 2_656
Al6 Al7 O14 Al2 -43.3(2) . 2_656
O6 Al3 O20 S1 -71.4(6) . .
O3 Al3 O20 S1 -149.2(6) . .
O9 Al3 O20 S1 25.5(6) . .
O12 Al3 O20 S1 116.6(6) . .
O1 Al3 O20 S1 63.3(18) . .
Al2 Al3 O20 S1 -110.7(6) . .
Al4 Al3 O20 S1 29.6(7) . .
Al5 Al3 O20 S1 107.9(6) . .
O21 Al8 O21 Al11 -119.9(3) 2 .
O22 Al8 O21 Al11 119.3(3) . .
O22 Al8 O21 Al11 1.0(4) 2 .
O21 Al8 O21 Al13 117.7(3) 2 .
O22 Al8 O21 Al13 -3.0(4) . .
O22 Al8 O21 Al13 -121.3(3) 2 .
O21 Al8 O21 Al12 0.47(17) 2 .
O22 Al8 O21 Al12 -120.3(3) . .
O22 Al8 O21 Al12 121.4(3) 2 .
O23 Al11 O21 Al8 37.6(3) . .
O32 Al11 O21 Al8 131.1(3) . .
O26 Al11 O21 Al8 -40.6(3) . .
O30 Al11 O21 Al8 -133.4(3) . .
O36 Al11 O21 Al8 -166.3(11) . .
Al10 Al11 O21 Al8 -0.8(3) . .
Al13 Al11 O21 Al8 -135.0(4) . .
Al12 Al11 O21 Al8 133.7(4) . .
O23 Al11 O21 Al13 172.6(2) . .
O32 Al11 O21 Al13 -93.9(2) . .
O26 Al11 O21 Al13 94.4(2) . .
O30 Al11 O21 Al13 1.6(2) . .
O36 Al11 O21 Al13 -31.3(13) . .
Al10 Al11 O21 Al13 134.21(16) . .
Al12 Al11 O21 Al13 -91.3(2) . .
O23 Al11 O21 Al12 -96.0(2) . .
O32 Al11 O21 Al12 -2.5(2) . .
O26 Al11 O21 Al12 -174.3(2) . .
O30 Al11 O21 Al12 93.0(2) . .
O36 Al11 O21 Al12 60.0(13) . .
Al10 Al11 O21 Al12 -134.45(16) . .
Al13 Al11 O21 Al12 91.3(2) . .
O33 Al13 O21 Al8 -131.1(3) . .
O25 Al13 O21 Al8 -35.3(3) . .
O27 Al13 O21 Al8 42.2(3) . .
O30 Al13 O21 Al8 133.8(3) . .
O35 Al13 O21 Al8 178.6(12) . .
Al14 Al13 O21 Al8 2.8(3) . .
Al11 Al13 O21 Al8 135.5(4) . .
Al12 Al13 O21 Al8 -131.8(4) . .
O33 Al13 O21 Al11 93.4(2) . .
O25 Al13 O21 Al11 -170.8(2) . .
O27 Al13 O21 Al11 -93.2(2) . .
O30 Al13 O21 Al11 -1.6(2) . .
O35 Al13 O21 Al11 43.2(14) . .
Al14 Al13 O21 Al11 -132.65(16) . .
Al12 Al13 O21 Al11 92.7(2) . .
O33 Al13 O21 Al12 0.7(2) . .
O25 Al13 O21 Al12 96.5(2) . .
O27 Al13 O21 Al12 174.1(2) . .
O30 Al13 O21 Al12 -94.3(2) . .
O35 Al13 O21 Al12 -49.5(14) . .
Al14 Al13 O21 Al12 134.66(16) . .
Al11 Al13 O21 Al12 -92.7(2) . .
O33 Al12 O21 Al8 131.3(3) . .
O24 Al12 O21 Al8 37.8(3) 2 .
O24 Al12 O21 Al8 -39.1(3) . .
O32 Al12 O21 Al8 -131.8(3) . .
O39 Al12 O21 Al8 -179(100) . .
Al12 Al12 O21 Al8 -0.8(3) 2 .
Al13 Al12 O21 Al8 132.0(4) . .
Al11 Al12 O21 Al8 -134.3(4) . .
O33 Al12 O21 Al11 -94.4(2) . .
O24 Al12 O21 Al11 172.2(2) 2 .
O24 Al12 O21 Al11 95.2(2) . .
O32 Al12 O21 Al11 2.5(2) . .
O39 Al12 O21 Al11 -44.5(13) . .
Al12 Al12 O21 Al11 133.51(17) 2 .
Al13 Al12 O21 Al11 -93.6(2) . .
O33 Al12 O21 Al13 -0.7(2) . .
O24 Al12 O21 Al13 -94.2(2) 2 .
O24 Al12 O21 Al13 -171.1(2) . .
O32 Al12 O21 Al13 96.2(2) . .
O39 Al12 O21 Al13 49.1(13) . .
Al12 Al12 O21 Al13 -132.86(17) 2 .
Al11 Al12 O21 Al13 93.6(2) . .
O21 Al8 O22 Al10 120.6(3) . 2
O21 Al8 O22 Al10 -0.7(3) 2 2
O22 Al8 O22 Al10 -120.2(3) 2 2
O21 Al8 O22 Al14 1.2(4) . .
O21 Al8 O22 Al14 -120.2(3) 2 .
O22 Al8 O22 Al14 120.4(3) 2 .
O21 Al8 O22 Al9 -119.5(3) . 2
O21 Al8 O22 Al9 119.2(3) 2 2
O22 Al8 O22 Al9 -0.29(16) 2 2
O29 Al14 O22 Al8 -133.0(3) . .
O27 Al14 O22 Al8 -39.7(3) . .
O34 Al14 O22 Al8 132.7(3) . .
O25 Al14 O22 Al8 39.8(3) . .
O40 Al14 O22 Al8 -175.1(12) . .
Al13 Al14 O22 Al8 0.4(3) . .
Al10 Al14 O22 Al8 133.1(4) 2 .
Al9 Al14 O22 Al8 -134.8(4) 2 .
O29 Al14 O22 Al10 93.9(2) . 2
O27 Al14 O22 Al10 -172.8(2) . 2
O34 Al14 O22 Al10 -0.4(2) . 2
O25 Al14 O22 Al10 -93.3(2) . 2
O40 Al14 O22 Al10 51.8(14) . 2
Al13 Al14 O22 Al10 -132.68(16) . 2
Al9 Al14 O22 Al10 92.1(2) 2 2
O29 Al14 O22 Al9 1.8(2) . 2
O27 Al14 O22 Al9 95.1(2) . 2
O34 Al14 O22 Al9 -92.5(2) . 2
O25 Al14 O22 Al9 174.6(2) . 2
O40 Al14 O22 Al9 -40.3(14) . 2
Al13 Al14 O22 Al9 135.22(16) . 2
Al10 Al14 O22 Al9 -92.1(2) 2 2
O32 Al11 O23 Al10 -167.4(2) . .
O26 Al11 O23 Al10 7.2(2) . .
O30 Al11 O23 Al10 -9.1(16) . .
O36 Al11 O23 Al10 99.4(2) . .
O21 Al11 O23 Al10 -84.9(2) . .
Al13 Al11 O23 Al10 -77.3(3) . .
Al12 Al11 O23 Al10 -130.01(19) . .
O31 Al10 O23 Al11 6(2) . .
O34 Al10 O23 Al11 169.1(2) 2 .
O26 Al10 O23 Al11 -7.2(2) . .
O37 Al10 O23 Al11 -100.8(2) . .
O22 Al10 O23 Al11 85.8(2) 2 .
Al14 Al10 O23 Al11 130.11(19) 2 .
Al9 Al10 O23 Al11 77.9(3) . .
O33 Al12 O24 Al12 12.1(15) . 2
O24 Al12 O24 Al12 -11.2(3) 2 2
O32 Al12 O24 Al12 164.4(2) . 2
O39 Al12 O24 Al12 -103.2(3) . 2
O21 Al12 O24 Al12 84.5(2) . 2
Al13 Al12 O24 Al12 75.2(3) . 2
Al11 Al12 O24 Al12 127.43(18) . 2
O33 Al13 O25 Al14 167.8(2) . .
O27 Al13 O25 Al14 -6.9(2) . .
O30 Al13 O25 Al14 0.3(14) . .
O35 Al13 O25 Al14 -101.3(2) . .
O21 Al13 O25 Al14 84.6(2) . .
Al11 Al13 O25 Al14 75.0(3) . .
Al12 Al13 O25 Al14 130.38(18) . .
O29 Al14 O25 Al13 -23.5(19) . .
O27 Al14 O25 Al13 7.0(2) . .
O34 Al14 O25 Al13 -168.0(2) . .
O40 Al14 O25 Al13 101.1(3) . .
O22 Al14 O25 Al13 -85.9(2) . .
Al10 Al14 O25 Al13 -129.13(18) 2 .
Al9 Al14 O25 Al13 -80.1(3) 2 .
O23 Al11 O26 Al10 -7.0(2) . .
O32 Al11 O26 Al10 28.0(16) . .
O30 Al11 O26 Al10 170.5(2) . .
O36 Al11 O26 Al10 -100.6(2) . .
O21 Al11 O26 Al10 88.1(2) . .
Al13 Al11 O26 Al10 131.56(19) . .
Al12 Al11 O26 Al10 82.1(3) . .
O31 Al10 O26 Al11 -171.4(2) . .
O23 Al10 O26 Al11 7.0(2) . .
O34 Al10 O26 Al11 -21(2) 2 .
O37 Al10 O26 Al11 97.8(2) . .
O22 Al10 O26 Al11 -88.5(2) 2 .
Al14 Al10 O26 Al11 -81.4(3) 2 .
Al9 Al10 O26 Al11 -133.43(19) . .
O33 Al13 O27 Al14 -35(2) . .
O25 Al13 O27 Al14 6.7(2) . .
O30 Al13 O27 Al14 -171.9(2) . .
O35 Al13 O27 Al14 97.5(3) . .
O21 Al13 O27 Al14 -89.8(2) . .
Al11 Al13 O27 Al14 -132.83(19) . .
Al12 Al13 O27 Al14 -83.4(3) . .
O29 Al14 O27 Al13 169.1(2) . .
O34 Al14 O27 Al13 28.6(18) . .
O25 Al14 O27 Al13 -6.9(2) . .
O40 Al14 O27 Al13 -100.2(3) . .
O22 Al14 O27 Al13 88.5(2) . .
Al10 Al14 O27 Al13 81.4(3) 2 .
Al9 Al14 O27 Al13 132.43(19) 2 .
O29 Al9 O28 Al9 -167.1(2) 2 2
O31 Al9 O28 Al9 -33(2) . 2
O28 Al9 O28 Al9 7.6(3) 2 2
O38 Al9 O28 Al9 100.8(2) . 2
O22 Al9 O28 Al9 -86.5(2) 2 2
Al10 Al9 O28 Al9 -80.1(3) . 2
Al14 Al9 O28 Al9 -130.09(18) 2 2
O27 Al14 O29 Al9 -95.4(3) . 2
O34 Al14 O29 Al9 79.1(3) . 2
O25 Al14 O29 Al9 -65.5(18) . 2
O40 Al14 O29 Al9 169.7(3) . 2
O22 Al14 O29 Al9 -2.1(3) . 2
Al13 Al14 O29 Al9 -85.8(3) . 2
Al10 Al14 O29 Al9 40.9(2) 2 2
O33 Al13 O30 Al11 -80.0(2) . .
O25 Al13 O30 Al11 87.5(13) . .
O27 Al13 O30 Al11 94.5(2) . .
O35 Al13 O30 Al11 -170.8(2) . .
O21 Al13 O30 Al11 1.8(2) . .
Al14 Al13 O30 Al11 87.7(3) . .
Al12 Al13 O30 Al11 -43.46(19) . .
O23 Al11 O30 Al13 -78.7(15) . .
O32 Al11 O30 Al13 79.6(2) . .
O26 Al11 O30 Al13 -94.6(2) . .
O36 Al11 O30 Al13 172.4(2) . .
O21 Al11 O30 Al13 -1.8(2) . .
Al10 Al11 O30 Al13 -86.3(3) . .
Al12 Al11 O30 Al13 43.06(19) . .
O23 Al10 O31 Al9 81(2) . .
O34 Al10 O31 Al9 -82.3(3) 2 .
O26 Al10 O31 Al9 93.9(3) . .
O37 Al10 O31 Al9 -172.3(2) . .
O22 Al10 O31 Al9 0.3(2) 2 .
Al11 Al10 O31 Al9 86.2(3) . .
Al14 Al10 O31 Al9 -43.8(2) 2 .
O28 Al9 O31 Al10 -54.5(19) . .
O29 Al9 O31 Al10 79.5(3) 2 .
O28 Al9 O31 Al10 -94.4(3) 2 .
O38 Al9 O31 Al10 171.6(2) . .
O22 Al9 O31 Al10 -0.3(2) 2 .
Al9 Al9 O31 Al10 -83.2(3) 2 .
Al14 Al9 O31 Al10 43.2(2) 2 .
O23 Al11 O32 Al12 98.0(3) . .
O26 Al11 O32 Al12 63.8(16) . .
O30 Al11 O32 Al12 -78.6(3) . .
O36 Al11 O32 Al12 -167.6(2) . .
O21 Al11 O32 Al12 3.0(2) . .
Al10 Al11 O32 Al12 87.5(3) . .
Al13 Al11 O32 Al12 -40.4(2) . .
O33 Al12 O32 Al11 76.6(3) . .
O24 Al12 O32 Al11 -75.1(13) 2 .
O24 Al12 O32 Al11 -98.8(3) . .
O39 Al12 O32 Al11 168.4(2) . .
O21 Al12 O32 Al11 -2.9(2) . .
Al12 Al12 O32 Al11 -86.0(3) 2 .
Al13 Al12 O32 Al11 40.4(2) . .
O24 Al12 O33 Al13 97.3(3) 2 .
O24 Al12 O33 Al13 74.6(15) . .
O32 Al12 O33 Al13 -77.6(3) . .
O39 Al12 O33 Al13 -170.1(3) . .
O21 Al12 O33 Al13 0.8(3) . .
Al12 Al12 O33 Al13 84.7(3) 2 .
Al11 Al12 O33 Al13 -41.7(2) . .
O25 Al13 O33 Al12 -97.1(3) . .
O27 Al13 O33 Al12 -57(2) . .
O30 Al13 O33 Al12 80.6(3) . .
O35 Al13 O33 Al12 171.0(3) . .
O21 Al13 O33 Al12 -0.9(3) . .
Al14 Al13 O33 Al12 -86.6(3) . .
Al11 Al13 O33 Al12 42.1(2) . .
O29 Al14 O34 Al10 -79.4(3) . 2
O27 Al14 O34 Al10 61.0(18) . 2
O25 Al14 O34 Al10 95.9(3) . 2
O40 Al14 O34 Al10 -169.9(3) . 2
O22 Al14 O34 Al10 0.4(2) . 2
Al13 Al14 O34 Al10 85.6(3) . 2
Al9 Al14 O34 Al10 -43.5(2) 2 2
O29 Al14 O40 S2 108.1(15) . .
O27 Al14 O40 S2 14.2(16) . .
O34 Al14 O40 S2 -159.1(15) . .
O25 Al14 O40 S2 -65.3(15) . .
O22 Al14 O40 S2 149.4(13) . .
Al13 Al14 O40 S2 -26.0(16) . .
Al10 Al14 O40 S2 -167.2(14) 2 .
Al9 Al14 O40 S2 115.7(15) 2 .
Al3 O20 S1 O42 121.0(8) . .
Al3 O20 S1 O41 -2.1(11) . .
Al3 O20 S1 O43 -122.7(7) . .
Al14 O40 S2 O45 156.1(14) . .
Al14 O40 S2 O44 26.0(19) . .
Al14 O40 S2 O46 -84.5(17) . .
O53 S4 O51 O52' 140.0(13) . .
O53' S4 O51 O52' 86.7(15) . .
O54 S4 O51 O52' -84.0(12) . .
O51' S4 O51 O52' -177.4(14) . .
O52 S4 O51 O52' 29.3(15) . .
O51 S4 O51' O53 -135.2(10) . .
O53' S4 O51' O53 -10.6(10) . .
O54 S4 O51' O53 109.6(8) . .
O52' S4 O51' O53 -137.0(9) . .
O52 S4 O51' O53 -55(2) . .
O51 S4 O52 O53' 126.0(10) . .
O53 S4 O52 O53' 7.1(12) . .
O54 S4 O52 O53' -110.1(8) . .
O52' S4 O52 O53' 145.7(10) . .
O51' S4 O52 O53' 55(2) . .
O53 S4 O52' O51 -65.0(18) . .
O53' S4 O52' O51 -118.9(13) . .
O54 S4 O52' O51 113.1(12) . .
O51' S4 O52' O51 2.5(14) . .
O52 S4 O52' O51 -149.9(15) . .
O51 S4 O53 O53' -120.9(12) . .
O54 S4 O53 O53' 101.0(10) . .
O52' S4 O53 O53' -81.1(15) . .
O51' S4 O53 O53' -166.2(13) . .
O52 S4 O53 O53' -7.9(13) . .
O51 S4 O53 O51' 45.4(10) . .
O53' S4 O53 O51' 166.2(13) . .
O54 S4 O53 O51' -92.8(8) . .
O52' S4 O53 O51' 85.2(13) . .
O52 S4 O53 O51' 158.3(10) . .
S4 O51' O53 O53' 14.8(14) . .
O51' O53 O53' S4 -14.5(14) . .
S4 O53 O53' O52 13(2) . .
O51' O53 O53' O52 -2(3) . .
O51 S4 O53' O53 88.2(14) . .
O54 S4 O53' O53 -100.8(11) . .
O52' S4 O53' O53 134.3(11) . .
O51' S4 O53' O53 12.7(12) . .
O52 S4 O53' O53 170.5(16) . .
O51 S4 O53' O52 -82.3(14) . .
O53 S4 O53' O52 -170.5(16) . .
O54 S4 O53' O52 88.7(11) . .
O52' S4 O53' O52 -36.2(12) . .
O51' S4 O53' O52 -157.8(11) . .
S4 O52 O53' O53 -13(2) . .
