#============================================================================== data_global _audit_update_record ; 2010-06-06 # Formatted by publCIF ; #============================================================================== # 0. AUDIT DETAILS _audit_creation_date 'Jun 06 12:26:49 2010' _audit_creation_method 'PLATON option' #=============================================================================== data_muskovit #=============================================================================== # 5. CHEMICAL DATA _chemical_name_systematic ; ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'Al6 H4 O24 Si6, 2(K)' # Ex: 'C12 H16 N2 O6, H2 O' and '(Cd 2+)3, (C6 N6 Cr 3-)2, 2(H2 O)' _chemical_formula_structural ? _chemical_formula_sum 'Al6 H4 K2 O24 Si6' _chemical_formula_iupac ? _chemical_formula_weight 796.65 _chemical_compound_source 'see text' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Si Si 0.0817 0.0704 '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' K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' #=============================================================================== # 6. CRYSTAL DATA _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z _cell_length_a 5.19180 _cell_length_b 9.01530 _cell_length_c 20.04570 _cell_angle_alpha 90 _cell_angle_beta 95.7350 _cell_angle_gamma 90 _cell_volume 933.56 _cell_formula_units_Z 2 _cell_measurement_temperature 0 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_special_details ; ; _exptl_crystal_description ' ?' _exptl_crystal_colour ' ?' _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.834 _exptl_crystal_density_method 'Not Measured' _exptl_crystal_F_000 792 _exptl_absorpt_coefficient_mu 1.310 _exptl_crystal_density_meas_temp ? # Permitted for _exptl_absorpt_correction_type : # analytical 'analytical from crystal shape' # Example: de Meulenaer&Tompa: ABST # cylinder 'cylindrical' # gaussian 'Gaussian from crystal shape' # Example: PLATON/ABSG # integration 'integration from crystal shape' # multi-scan 'symmetry-related measurements' # Example: SADABS, MULABS # none 'no absorption corr. applied' # numerical 'numerical from crystal shape' # psi-scan 'psi-scan corrections' # Example: PLATON/ABSP # refdelf 'refined from delta-F' # Example: SHELXA, DIFABS, DELABS # sphere 'spherical' # Example: PLATON/ABSS _exptl_absorpt_correction_type ' ?' # Example: '(North et al., 1968)' _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #=============================================================================== # 7. EXPERIMENTAL DATA _exptl_special_details ; ; _diffrn_ambient_temperature ? _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_probe 'x-ray' _diffrn_radiation_type 'MoK\a' _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count . _diffrn_standards_interval_time . _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? # number of measured reflections (redundant set) _diffrn_reflns_number ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_sigmaI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_reduction_process ; ; # number of unique reflections _reflns_number_total ? # number of observed reflections (> n sig(I)) _reflns_number_gt ? _reflns_threshold_expression ? _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material 'PLATON (Spek, 2003)' #=============================================================================== # 8. REFINEMENT DATA _refine_special_details ? _refine_ls_structure_factor_coef ? _refine_ls_matrix_type ? _refine_ls_weighting_scheme ' ?' _refine_ls_weighting_details ? _atom_sites_solution_primary ' ?' _atom_sites_solution_secondary ' ?' _atom_sites_solution_hydrogens ' ?' # Permitted for _refine_ls_hydrogen_treatment : # refall - refined all H parameters # refxyz - refined H coordinates only # refU - refined H U only # noref - no refinement of H parameters # constr - H parameters constrained # mixed - some constrained, some independent # undef - H-atom parameters not defined _refine_ls_hydrogen_treatment ' ?' _refine_ls_extinction_method ' ?' _refine_ls_extinction_coef ? _refine_ls_extinction_expression ? _refine_ls_abs_structure_details 'Flack H.D. (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack ? # Permitted for _chemical_absolute_configuration: # Absolute configuration details # rm = Det. by chiral ref. mol. with known abs.conf # ad = Det. by anomalous dispersion # rmad = Det. by 'rm' and 'ad' # syn = Det. with reference to synthesis # unk = Unknown/Arbitrary _chemical_absolute_configuration ? _refine_ls_number_reflns ? _refine_ls_number_parameters ? _refine_ls_number_restraints 0 _refine_ls_number_constraints ? _refine_ls_R_factor_all ? _refine_ls_R_factor_gt ? _refine_ls_wR_factor_ref ? _refine_ls_wR_factor_gt ? _refine_ls_goodness_of_fit_ref ? _refine_ls_restrained_S_all ? _refine_ls_shift/su_max ? _refine_ls_shift/su_mean ? _refine_diff_density_max ? _refine_diff_density_min ? _refine_diff_density_rms ? #=============================================================================== # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_thermal_displace_type _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv _atom_site_calc_flag _atom_site_refinement_flags Si1 Si Uiso 0.53662 0.92427 0.36527 1.000 0.0500 . . Si3 Si Uiso 0.46796 1.07533 0.63449 1.000 0.0500 . . Si5 Si Uiso 1.02147 0.42494 0.36213 1.000 0.0500 . . Si9 Si Uiso 0.45580 0.74780 0.63661 1.000 0.0500 . . Si11 Si Uiso 1.05133 0.75271 0.36576 1.000 0.0500 . . Si12 Si Uiso -0.04663 1.24548 0.63712 1.000 0.0500 . . Al2 Al Uiso -0.02663 0.57636 0.63660 1.000 0.0500 . . Al3 Al Uiso 0.54252 1.25672 0.36264 1.000 0.0500 . . Al6 Al Uiso 0.75424 1.08821 0.49913 1.000 0.0500 . . Al8 Al Uiso 0.24646 0.91698 0.50038 1.000 0.0500 . . Al10 Al Uiso 1.24563 0.57908 0.50117 1.000 0.0500 . . Al12 Al Uiso 0.74790 0.41765 0.49973 1.000 0.0500 . . O2 O Uiso 0.60067 1.07831 0.33028 1.000 0.0500 . . O4 O Uiso 0.39536 0.91603 0.66666 1.000 0.0500 . . O6 O Uiso 1.10103 0.59040 0.33235 1.000 0.0500 . . O8 O Uiso -0.09256 1.40301 0.67211 1.000 0.0500 . . O10 O Uiso 0.74363 0.79096 0.34839 1.000 0.0500 . . O12 O Uiso 0.26189 1.20314 0.65473 1.000 0.0500 . . O14 O Uiso 1.21321 0.29155 0.34388 1.000 0.0500 . . O16 O Uiso 0.76399 0.72476 0.65189 1.000 0.0500 . . O18 O Uiso 0.73406 0.39080 0.32609 1.000 0.0500 . . O20 O Uiso 0.28309 0.62890 0.67407 1.000 0.0500 . . O22 O Uiso 0.24451 0.87202 0.33171 1.000 0.0500 . . O24 O Uiso 0.76090 1.11854 0.66836 1.000 0.0500 . . O26 O Uiso 0.53610 0.93782 0.44674 1.000 0.0500 . . O28 O Uiso 0.46382 1.06153 0.55337 1.000 0.0500 . . O30 O Uiso 1.03378 0.44213 0.44367 1.000 0.0500 . . O32 O Uiso -0.03776 0.55597 0.54987 1.000 0.0500 . . O34 O Uiso 0.62558 1.25122 0.44918 1.000 0.0500 . . O36 O Uiso 0.37226 0.75085 0.55533 1.000 0.0500 . . O38 O Uiso 1.11920 0.75138 0.44645 1.000 0.0500 . . O40 O Uiso 0.88940 1.24785 0.55615 1.000 0.0500 . . O42 O Uiso 1.53972 0.56826 0.45233 1.000 0.0500 . . O44 O Uiso 1.45332 0.43090 0.54946 1.000 0.0500 . . O46 O Uiso 1.04642 1.06337 0.45067 1.000 0.0500 . . O48 O Uiso 0.95481 0.93850 0.54807 1.000 0.0500 . . Si2 Si Uiso 0.52139 0.07507 -0.13787 1.000 0.0500 . . Si4 Si Uiso 0.96795 0.42467 0.13450 1.000 0.0500 . . Si6 Si Uiso 0.03661 -0.42427 -0.13472 1.000 0.0500 . . Si7 Si Uiso 0.45338 0.25452 0.13712 1.000 0.0500 . . Si8 Si Uiso 0.55133 -0.25271 -0.13423 1.000 0.0500 . . Si10 Si Uiso 0.95580 0.75219 0.13661 1.000 0.0500 . . Al1 Al Uiso 0.47334 -0.07636 0.13661 1.000 0.0500 . . Al4 Al Uiso 0.04248 0.24329 -0.13736 1.000 0.0500 . . Al5 Al Uiso 0.24787 0.08234 -0.00027 1.000 0.0500 . . Al7 Al Uiso 0.74561 -0.07909 0.00117 1.000 0.0500 . . Al9 Al Uiso -0.25355 -0.41698 0.00038 1.000 0.0500 . . Al11 Al Uiso 0.25423 -0.58821 -0.00087 1.000 0.0500 . . O1 O Uiso 0.40748 0.09699 0.17211 1.000 0.0500 . . O3 O Uiso 0.60097 -0.09040 -0.16765 1.000 0.0500 . . O5 O Uiso 0.89538 0.58397 0.16667 1.000 0.0500 . . O7 O Uiso 0.10069 -0.57831 -0.16971 1.000 0.0500 . . O9 O Uiso 1.26400 0.77524 0.15190 1.000 0.0500 . . O11 O Uiso 0.71315 0.20847 -0.15611 1.000 0.0500 . . O13 O Uiso 0.76188 0.29686 0.15474 1.000 0.0500 . . O15 O Uiso 0.24361 -0.29095 -0.15161 1.000 0.0500 . . O17 O Uiso 0.26090 0.38146 0.16836 1.000 0.0500 . . O19 O Uiso 0.74449 -0.37202 -0.16829 1.000 0.0500 . . O21 O Uiso 0.78308 0.87109 0.17406 1.000 0.0500 . . O23 O Uiso 0.23399 0.10921 -0.17392 1.000 0.0500 . . O25 O Uiso 0.46220 -0.05597 0.04988 1.000 0.0500 . . O27 O Uiso 0.53375 0.05786 -0.05634 1.000 0.0500 . . O29 O Uiso 0.96381 0.43847 0.05338 1.000 0.0500 . . O31 O Uiso 0.03608 -0.43782 -0.05326 1.000 0.0500 . . O33 O Uiso 0.38940 0.25215 0.05615 1.000 0.0500 . . O35 O Uiso 0.61919 -0.25137 -0.05354 1.000 0.0500 . . O37 O Uiso 0.87227 0.74914 0.05533 1.000 0.0500 . . O39 O Uiso 0.12554 0.24878 -0.05081 1.000 0.0500 . . O41 O Uiso -0.54519 -0.43851 0.04808 1.000 0.0500 . . O43 O Uiso -0.45361 -0.56336 -0.04933 1.000 0.0500 . . O45 O Uiso -0.04672 0.06911 0.04946 1.000 0.0500 . . O47 O Uiso 0.03969 -0.06826 -0.04767 1.000 0.0500 . . K1 K Uiso 0.99790 0.09590 0.25003 1.000 0.0500 . . K2 K Uiso 0.00171 0.89773 0.75011 1.000 0.0500 . . K3 K Uiso 0.50173 0.60226 0.25011 1.000 0.0500 . . K4 K Uiso 0.49789 0.40411 0.75003 1.000 0.0500 . . H2 H Uiso 1.63323 0.65957 0.44583 1.000 0.0750 . . H4 H Uiso 1.35973 0.34000 0.55671 1.000 0.0750 . . H6 H Uiso 1.12388 1.14813 0.43021 1.000 0.0750 . . H8 H Uiso 0.87811 0.85541 0.57001 1.000 0.0750 . . H1 H Uiso -0.62188 -0.35542 0.07002 1.000 0.0750 . . H3 H Uiso -0.37614 -0.64812 -0.06979 1.000 0.0750 . . H5 H Uiso -0.14031 0.16001 0.05670 1.000 0.0750 . . H7 H Uiso 0.13321 -0.15957 -0.05416 1.000 0.0750 . . #=============================================================================== # 10. MOLECULAR GEOMETRY _geom_special_details ; Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Si1 O2 1.6055 . . yes Si1 O10 1.6693 . . yes Si1 O22 1.6645 . . yes Si1 O26 1.6380 . . yes Si3 O4 1.6337 . . yes Si3 O12 1.6504 . . yes Si3 O24 1.6491 . . yes Si3 O28 1.6289 . . yes Si5 O6 1.6737 . . yes Si5 O14 1.6260 . . yes Si5 O18 1.6210 . . yes Si5 O30 1.6367 . . yes Si5 Al3 2.9135 . 1_545 yes Si9 Al2 2.9432 . . yes Si9 O4 1.6731 . . yes Si9 O16 1.6122 . . yes Si9 O20 1.6283 . . yes Si9 O36 1.6439 . . yes Si11 O6 1.6404 . . yes Si11 O10 1.6374 . . yes Si11 O38 1.6207 . . yes Si11 O22 1.6630 . 1_655 yes Si12 O8 1.6122 . . yes Si12 O12 1.6501 . . yes Si12 O24 1.6809 . 1_455 yes Si12 O40 1.6240 . 1_455 yes Si2 O11 1.6260 . . yes Si2 O23 1.6211 . . yes Si2 O27 1.6365 . . yes Si2 O3 1.6738 . . yes Si2 Al4 2.9133 . . yes Si4 O13 1.6504 . . yes Si4 O5 1.6337 . . yes Si4 O17 1.6491 . 1_655 yes Si4 O29 1.6289 . . yes Si6 O31 1.6378 . . yes Si6 O15 1.6694 . . yes Si6 O7 1.6056 . . yes Si6 O19 1.6646 . 1_455 yes Si7 O1 1.6122 . . yes Si7 O13 1.6501 . . yes Si7 O33 1.6240 . . yes Si7 O17 1.6809 . . yes Si8 O15 1.6375 . . yes Si8 O3 1.6404 . . yes Si8 O19 1.6630 . . yes Si8 O35 1.6207 . . yes Si10 O5 1.6731 . . yes Si10 Al1 2.9434 . 1_565 yes Si10 O37 1.6439 . . yes Si10 O9 1.6123 . . yes Si10 O21 1.6283 . . yes Al2 O32 1.7435 . . yes Al2 O16 1.7698 . 1_455 yes Al2 O8 1.7649 . 1_545 yes Al2 O20 1.7700 . . yes Al3 O2 1.7715 . . yes Al3 O18 1.7699 . 1_565 yes Al3 O34 1.7459 . . yes Al3 O14 1.7420 . 1_465 yes Al6 O26 1.9965 . . yes Al6 O40 1.9261 . . yes Al6 O28 1.9599 . . yes Al6 O34 1.8641 . . yes Al6 O48 1.9142 . . yes Al6 O46 1.8946 . . yes Al8 O36 1.9337 . . yes Al8 O28 1.9648 . . yes Al8 O48 1.8798 . 1_455 yes Al8 O38 1.9213 . 1_455 yes Al8 O46 1.8991 . 1_455 yes Al8 O26 1.9432 . . yes Al10 O42 1.8969 . . yes Al10 O44 1.9172 . . yes Al10 O32 1.8569 . 1_655 yes Al10 O36 1.9663 . 1_655 yes Al10 O30 1.9517 . . yes Al10 O38 1.9756 . . yes Al12 O30 1.9616 . . yes Al12 O32 1.8921 . 1_655 yes Al12 O40 1.9990 . 1_545 yes Al12 O42 1.9260 . 1_455 yes Al12 O44 1.9110 . 1_455 yes Al12 O34 1.8849 . 1_545 yes Al1 O9 1.7697 . 1_445 yes Al1 O21 1.7700 . 1_545 yes Al1 O25 1.7435 . . yes Al1 O1 1.7647 . . yes Al4 O23 1.7699 . . yes Al4 O7 1.7714 . 1_565 yes Al4 O39 1.7461 . . yes Al4 O11 1.7421 . 1_455 yes Al5 O25 1.8921 . . yes Al5 O27 1.9617 . . yes Al5 O33 1.9991 . . yes Al5 O39 1.8849 . . yes Al5 O45 1.9110 . . yes Al5 O47 1.9259 . . yes Al7 O35 1.9753 . . yes Al7 O47 1.8968 . 1_655 yes Al7 O37 1.9663 . 1_545 yes Al7 O45 1.9173 . 1_655 yes Al7 O25 1.8572 . . yes Al7 O27 1.9519 . . yes Al9 O29 1.9649 . 1_445 yes Al9 O37 1.9337 . 1_445 yes Al9 O35 1.9213 . 1_455 yes Al9 O43 1.8991 . . yes Al9 O31 1.9431 . . yes Al9 O41 1.8799 . . yes Al11 O31 1.9965 . . yes Al11 O43 1.8945 . 1_655 yes Al11 O29 1.9600 . 1_445 yes Al11 O33 1.9261 . 1_545 yes Al11 O39 1.8640 . 1_545 yes Al11 O41 1.9143 . 1_655 yes O42 H2 0.9700 . . no O44 H4 0.9700 . . no O46 H6 0.9700 . . no O48 H8 0.9700 . . no O41 H1 0.9700 . . no O43 H3 0.9700 . . no O45 H5 0.9700 . . no O47 H7 0.9700 . . no 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 Si1 O10 111.62 . . . yes O2 Si1 O22 106.76 . . . yes O2 Si1 O26 113.09 . . . yes O10 Si1 O22 107.06 . . . yes O10 Si1 O26 108.73 . . . yes O22 Si1 O26 109.38 . . . yes O4 Si3 O12 109.63 . . . yes O4 Si3 O24 106.55 . . . yes O4 Si3 O28 110.27 . . . yes O12 Si3 O24 109.13 . . . yes O12 Si3 O28 110.77 . . . yes O24 Si3 O28 110.41 . . . yes O6 Si5 O14 113.61 . . . yes O6 Si5 O18 105.03 . . . yes O6 Si5 O30 106.58 . . . yes Al3 Si5 O6 134.93 1_545 . . yes O14 Si5 O18 108.44 . . . yes O14 Si5 O30 109.33 . . . yes Al3 Si5 O14 99.08 1_545 . . yes O18 Si5 O30 113.92 . . . yes Al3 Si5 O18 32.31 1_545 . . yes Al3 Si5 O30 89.65 1_545 . . yes Al2 Si9 O4 106.61 . . . yes Al2 Si9 O16 139.53 . . . yes Al2 Si9 O20 31.40 . . . yes Al2 Si9 O36 82.44 . . . yes O4 Si9 O16 105.47 . . . yes O4 Si9 O20 107.40 . . . yes O4 Si9 O36 107.53 . . . yes O16 Si9 O20 114.17 . . . yes O16 Si9 O36 110.43 . . . yes O20 Si9 O36 111.42 . . . yes O6 Si11 O10 106.92 . . . yes O6 Si11 O38 111.93 . . . yes O6 Si11 O22 106.47 . . 1_655 yes O10 Si11 O38 108.90 . . . yes O10 Si11 O22 113.09 . . 1_655 yes O22 Si11 O38 109.54 1_655 . . yes O8 Si12 O12 107.06 . . . yes O8 Si12 O24 108.56 . . 1_455 yes O8 Si12 O40 113.51 . . 1_455 yes O12 Si12 O24 111.30 . . 1_455 yes O12 Si12 O40 108.30 . . 1_455 yes O24 Si12 O40 108.15 1_455 . 1_455 yes O3 Si2 O27 106.57 . . . yes Al4 Si2 O3 134.94 . . . yes Al4 Si2 O11 99.07 . . . yes Al4 Si2 O23 32.31 . . . yes Al4 Si2 O27 89.67 . . . yes O3 Si2 O11 113.61 . . . yes O3 Si2 O23 105.02 . . . yes O23 Si2 O27 113.93 . . . yes O11 Si2 O23 108.44 . . . yes O11 Si2 O27 109.32 . . . yes O13 Si4 O17 109.13 . . 1_655 yes O5 Si4 O13 109.63 . . . yes O5 Si4 O29 110.27 . . . yes O5 Si4 O17 106.55 . . 1_655 yes O13 Si4 O29 110.77 . . . yes O17 Si4 O29 110.40 1_655 . . yes O19 Si6 O31 109.39 1_455 . . yes O7 Si6 O15 111.62 . . . yes O7 Si6 O31 113.09 . . . yes O7 Si6 O19 106.76 . . 1_455 yes O15 Si6 O31 108.73 . . . yes O15 Si6 O19 107.05 . . 1_455 yes O1 Si7 O33 113.51 . . . yes O1 Si7 O13 107.05 . . . yes O1 Si7 O17 108.57 . . . yes O17 Si7 O33 108.15 . . . yes O13 Si7 O17 111.30 . . . yes O13 Si7 O33 108.31 . . . yes O3 Si8 O35 111.94 . . . yes O3 Si8 O15 106.90 . . . yes O3 Si8 O19 106.47 . . . yes O19 Si8 O35 109.55 . . . yes O15 Si8 O19 113.08 . . . yes O15 Si8 O35 108.91 . . . yes Al1 Si10 O5 106.61 1_565 . . yes O5 Si10 O9 105.46 . . . yes O5 Si10 O21 107.40 . . . yes O5 Si10 O37 107.54 . . . yes Al1 Si10 O9 139.53 1_565 . . yes O9 Si10 O21 114.16 . . . yes O9 Si10 O37 110.43 . . . yes Al1 Si10 O37 82.45 1_565 . . yes O21 Si10 O37 111.41 . . . yes Al1 Si10 O21 31.40 1_565 . . yes Si9 Al2 O20 28.64 . . . yes Si9 Al2 O8 131.63 . . 1_545 yes O20 Al2 O32 112.93 . . . yes O16 Al2 O20 105.78 1_455 . . yes O8 Al2 O20 105.69 1_545 . . yes O16 Al2 O32 107.02 1_455 . . yes Si9 Al2 O32 89.93 . . . yes Si9 Al2 O16 98.07 . . 1_455 yes O8 Al2 O16 116.89 1_545 . 1_455 yes O8 Al2 O32 108.69 1_545 . . yes O2 Al3 O18 110.19 . . 1_565 yes Si5 Al3 O2 107.13 1_565 . . yes O18 Al3 O34 109.72 1_565 . . yes O14 Al3 O34 111.05 1_465 . . yes Si5 Al3 O34 83.81 1_565 . . yes O2 Al3 O34 107.69 . . . yes O2 Al3 O14 106.51 . . 1_465 yes Si5 Al3 O18 29.31 1_565 . 1_565 yes Si5 Al3 O14 136.47 1_565 . 1_465 yes O14 Al3 O18 111.56 1_465 . 1_565 yes O28 Al6 O48 92.20 . . . yes O34 Al6 O40 79.60 . . . yes O34 Al6 O46 94.59 . . . yes O34 Al6 O48 168.11 . . . yes O26 Al6 O28 77.35 . . . yes O26 Al6 O34 95.67 . . . yes O26 Al6 O40 166.77 . . . yes O26 Al6 O46 95.23 . . . yes O26 Al6 O48 92.39 . . . yes O28 Al6 O34 98.08 . . . yes O28 Al6 O40 90.99 . . . yes O28 Al6 O46 165.87 . . . yes O46 Al6 O48 75.94 . . . yes O40 Al6 O46 97.45 . . . yes O40 Al6 O48 94.33 . . . yes O36 Al8 O48 91.93 . . 1_455 yes O46 Al8 O48 76.65 1_455 . 1_455 yes O38 Al8 O46 96.05 1_455 . 1_455 yes O38 Al8 O48 96.73 1_455 . 1_455 yes O36 Al8 O46 166.66 . . 1_455 yes O26 Al8 O28 78.50 . . . yes O26 Al8 O36 98.86 . . . yes O26 Al8 O38 90.31 . . 1_455 yes O26 Al8 O46 93.17 . . 1_455 yes O26 Al8 O48 168.14 . . 1_455 yes O28 Al8 O36 93.59 . . . yes O28 Al8 O38 165.06 . . 1_455 yes O28 Al8 O46 94.43 . . 1_455 yes O28 Al8 O48 96.02 . . 1_455 yes O36 Al8 O38 78.24 . . 1_455 yes O36 Al10 O44 97.46 1_655 . . yes O32 Al10 O36 92.11 1_655 . 1_655 yes O30 Al10 O38 91.90 . . . yes O30 Al10 O42 95.61 . . . yes O30 Al10 O44 96.47 . . . yes O30 Al10 O32 79.06 . . 1_655 yes O30 Al10 O36 164.13 . . 1_655 yes O38 Al10 O42 89.64 . . . yes O38 Al10 O44 165.26 . . . yes O32 Al10 O38 98.24 1_655 . . yes O36 Al10 O38 76.20 1_655 . . yes O42 Al10 O44 77.51 . . . yes O32 Al10 O42 170.57 1_655 . . yes O36 Al10 O42 94.79 1_655 . . yes O32 Al10 O44 95.25 1_655 . . yes O34 Al12 O40 77.27 1_545 . 1_545 yes O32 Al12 O34 163.51 1_655 . 1_545 yes O32 Al12 O40 92.34 1_655 . 1_545 yes O34 Al12 O42 98.84 1_545 . 1_455 yes O30 Al12 O42 93.30 . . 1_455 yes O30 Al12 O44 169.31 . . 1_455 yes O30 Al12 O34 90.87 . . 1_545 yes O30 Al12 O40 98.86 . . 1_545 yes O30 Al12 O32 77.97 . . 1_655 yes O42 Al12 O44 76.96 1_455 . 1_455 yes O34 Al12 O44 94.93 1_545 . 1_455 yes O40 Al12 O42 167.26 1_545 . 1_455 yes O32 Al12 O42 93.94 1_655 . 1_455 yes O40 Al12 O44 91.19 1_545 . 1_455 yes O32 Al12 O44 98.08 1_655 . 1_455 yes O1 Al1 O21 105.69 . . 1_545 yes O1 Al1 O25 108.68 . . . yes O1 Al1 O9 116.91 . . 1_445 yes Si10 Al1 O1 131.62 1_545 . . yes O9 Al1 O25 107.02 1_445 . . yes Si10 Al1 O25 89.93 1_545 . . yes O21 Al1 O25 112.92 1_545 . . yes Si10 Al1 O9 98.07 1_545 . 1_445 yes O9 Al1 O21 105.78 1_445 . 1_545 yes Si10 Al1 O21 28.64 1_545 . 1_545 yes Si2 Al4 O23 29.31 . . . yes Si2 Al4 O39 83.81 . . . yes Si2 Al4 O11 136.47 . . 1_455 yes Si2 Al4 O7 107.13 . . 1_565 yes O23 Al4 O39 109.73 . . . yes O11 Al4 O23 111.56 1_455 . . yes O7 Al4 O23 110.19 1_565 . . yes O11 Al4 O39 111.04 1_455 . . yes O7 Al4 O39 107.68 1_565 . . yes O7 Al4 O11 106.52 1_565 . 1_455 yes O45 Al5 O47 76.96 . . . yes O39 Al5 O47 98.84 . . . yes O25 Al5 O27 77.98 . . . yes O25 Al5 O33 92.33 . . . yes O25 Al5 O39 163.51 . . . yes O25 Al5 O45 98.08 . . . yes O25 Al5 O47 93.95 . . . yes O27 Al5 O33 98.85 . . . yes O27 Al5 O39 90.87 . . . yes O27 Al5 O45 169.31 . . . yes O27 Al5 O47 93.29 . . . yes O33 Al5 O39 77.26 . . . yes O33 Al5 O45 91.19 . . . yes O33 Al5 O47 167.26 . . . yes O39 Al5 O45 94.92 . . . yes O25 Al7 O35 98.24 . . . yes O25 Al7 O37 92.12 . . 1_545 yes O25 Al7 O45 95.25 . . 1_655 yes O25 Al7 O47 170.57 . . 1_655 yes O27 Al7 O35 91.90 . . . yes O27 Al7 O37 164.13 . . 1_545 yes O27 Al7 O45 96.47 . . 1_655 yes O27 Al7 O47 95.61 . . 1_655 yes O35 Al7 O37 76.21 . . 1_545 yes O35 Al7 O45 165.26 . . 1_655 yes O35 Al7 O47 89.65 . . 1_655 yes O37 Al7 O45 97.46 1_545 . 1_655 yes O37 Al7 O47 94.79 1_545 . 1_655 yes O45 Al7 O47 77.51 1_655 . 1_655 yes O25 Al7 O27 79.06 . . . yes O31 Al9 O41 168.14 . . . yes O31 Al9 O43 93.17 . . . yes O29 Al9 O31 78.50 1_445 . . yes O31 Al9 O37 98.86 . . 1_445 yes O31 Al9 O35 90.31 . . 1_455 yes O41 Al9 O43 76.65 . . . yes O29 Al9 O41 96.01 1_445 . . yes O37 Al9 O41 91.93 1_445 . . yes O35 Al9 O41 96.73 1_455 . . yes O29 Al9 O43 94.43 1_445 . . yes O37 Al9 O43 166.66 1_445 . . yes O35 Al9 O43 96.06 1_455 . . yes O29 Al9 O37 93.59 1_445 . 1_445 yes O29 Al9 O35 165.07 1_445 . 1_455 yes O35 Al9 O37 78.24 1_455 . 1_445 yes O29 Al11 O31 77.36 1_445 . . yes O31 Al11 O33 166.77 . . 1_545 yes O31 Al11 O41 92.40 . . 1_655 yes O31 Al11 O43 95.23 . . 1_655 yes O29 Al11 O33 90.99 1_445 . 1_545 yes O29 Al11 O39 98.07 1_445 . 1_545 yes O29 Al11 O41 92.20 1_445 . 1_655 yes O29 Al11 O43 165.86 1_445 . 1_655 yes O33 Al11 O39 79.60 1_545 . 1_545 yes O33 Al11 O41 94.32 1_545 . 1_655 yes O33 Al11 O43 97.45 1_545 . 1_655 yes O39 Al11 O41 168.11 1_545 . 1_655 yes O39 Al11 O43 94.60 1_545 . 1_655 yes O41 Al11 O43 75.94 1_655 . 1_655 yes O31 Al11 O39 95.67 . . 1_545 yes Si1 O2 Al3 125.10 . . . yes Si3 O4 Si9 126.57 . . . yes Si5 O6 Si11 126.51 . . . yes Si12 O8 Al2 124.16 . . 1_565 yes Si1 O10 Si11 137.97 . . . yes Si3 O12 Si12 138.43 . . . yes Si5 O14 Al3 133.99 . . 1_645 yes Si9 O16 Al2 132.81 . . 1_655 yes Si5 O18 Al3 118.39 . . 1_545 yes Si9 O20 Al2 119.95 . . . yes Si1 O22 Si11 125.43 . . 1_455 yes Si3 O24 Si12 124.44 . . 1_655 yes Al6 O26 Al8 101.79 . . . yes Si1 O26 Al8 128.53 . . . yes Si1 O26 Al6 121.18 . . . yes Si3 O28 Al6 127.61 . . . yes Si3 O28 Al8 122.68 . . . yes Al6 O28 Al8 102.33 . . . yes Si5 O30 Al12 127.24 . . . yes Al10 O30 Al12 98.44 . . . yes Si5 O30 Al10 127.82 . . . yes Al2 O32 Al10 124.29 . . 1_455 yes Al2 O32 Al12 123.94 . . 1_455 yes Al10 O32 Al12 104.45 1_455 . 1_455 yes Al3 O34 Al6 126.57 . . . yes Al6 O34 Al12 104.80 . . 1_565 yes Al3 O34 Al12 123.23 . . 1_565 yes Si9 O36 Al10 125.07 . . 1_455 yes Al8 O36 Al10 102.72 . . 1_455 yes Si9 O36 Al8 128.18 . . . yes Si11 O38 Al10 125.94 . . . yes Si11 O38 Al8 125.74 . . 1_655 yes Al8 O38 Al10 102.83 1_655 . . yes Si12 O40 Al6 127.54 1_655 . . yes Si12 O40 Al12 127.04 1_655 . 1_565 yes Al6 O40 Al12 98.33 . . 1_565 yes Al10 O42 Al12 102.86 . . 1_655 yes Al10 O44 Al12 102.66 . . 1_655 yes Al6 O46 Al8 103.71 . . 1_655 yes Al6 O48 Al8 103.69 . . 1_655 yes Al12 O42 H2 114.00 1_655 . . no Al10 O42 H2 118.00 . . . no Al10 O44 H4 114.00 . . . no Al12 O44 H4 118.00 1_655 . . no Al8 O46 H6 123.00 1_655 . . no Al6 O46 H6 121.00 . . . no Al8 O48 H8 122.00 1_655 . . no Al6 O48 H8 123.00 . . . no Si7 O1 Al1 124.17 . . . yes Si2 O3 Si8 126.50 . . . yes Si4 O5 Si10 126.57 . . . yes Si6 O7 Al4 125.10 . . 1_545 yes Si10 O9 Al1 132.81 . . 1_665 yes Si2 O11 Al4 133.99 . . 1_655 yes Si4 O13 Si7 138.43 . . . yes Si6 O15 Si8 137.95 . . . yes Si4 O17 Si7 124.45 1_455 . . yes Si6 O19 Si8 125.41 1_655 . . yes Si10 O21 Al1 119.97 . . 1_565 yes Si2 O23 Al4 118.37 . . . yes Al1 O25 Al5 123.95 . . . yes Al1 O25 Al7 124.29 . . . yes Al5 O25 Al7 104.44 . . . yes Si2 O27 Al5 127.24 . . . yes Si2 O27 Al7 127.83 . . . yes Al5 O27 Al7 98.44 . . . yes Si4 O29 Al9 122.68 . . 1_665 yes Si4 O29 Al11 127.62 . . 1_665 yes Al9 O29 Al11 102.33 1_665 . 1_665 yes Si6 O31 Al9 128.54 . . . yes Si6 O31 Al11 121.18 . . . yes Al9 O31 Al11 101.79 . . . yes Si7 O33 Al5 127.04 . . . yes Si7 O33 Al11 127.54 . . 1_565 yes Al5 O33 Al11 98.33 . . 1_565 yes Si8 O35 Al7 125.94 . . . yes Si8 O35 Al9 125.73 . . 1_655 yes Al7 O35 Al9 102.84 . . 1_655 yes Si10 O37 Al7 125.07 . . 1_565 yes Si10 O37 Al9 128.19 . . 1_665 yes Al7 O37 Al9 102.72 1_565 . 1_665 yes Al4 O39 Al5 123.23 . . . yes Al4 O39 Al11 126.56 . . 1_565 yes Al5 O39 Al11 104.80 . . 1_565 yes Al9 O41 Al11 103.69 . . 1_455 yes Al9 O43 Al11 103.71 . . 1_455 yes Al5 O45 Al7 102.66 . . 1_455 yes Al5 O47 Al7 102.86 . . 1_455 yes Al9 O41 H1 122.00 . . . no Al11 O41 H1 123.00 1_455 . . no Al9 O43 H3 123.00 . . . no Al11 O43 H3 121.00 1_455 . . no Al5 O45 H5 118.00 . . . no Al7 O45 H5 114.00 1_455 . . no Al5 O47 H7 114.00 . . . no Al7 O47 H7 118.00 1_455 . . no 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_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O26 Si1 O10 Si11 -58.01 . . . . no O2 Si1 O22 Si11 -159.61 . . . 1_455 no O10 Si1 O22 Si11 80.72 . . . 1_455 no O26 Si1 O22 Si11 -36.92 . . . 1_455 no O22 Si1 O2 Al3 94.20 . . . . no O2 Si1 O26 Al6 -28.45 . . . . no O10 Si1 O26 Al6 96.13 . . . . no O22 Si1 O26 Al6 -147.28 . . . . no O10 Si1 O2 Al3 -149.12 . . . . no O2 Si1 O26 Al8 113.47 . . . . no O10 Si1 O26 Al8 -121.95 . . . . no O22 Si1 O10 Si11 -176.08 . . . . no O26 Si1 O2 Al3 -26.14 . . . . no O2 Si1 O10 Si11 67.43 . . . . no O22 Si1 O26 Al8 -5.36 . . . . no O24 Si3 O28 Al8 145.13 . . . . no O12 Si3 O28 Al8 -93.87 . . . . no O28 Si3 O24 Si12 42.69 . . . 1_655 no O4 Si3 O12 Si12 -69.31 . . . . no O28 Si3 O12 Si12 52.60 . . . . no O12 Si3 O24 Si12 -79.28 . . . 1_655 no O24 Si3 O12 Si12 174.35 . . . . no O4 Si3 O28 Al8 27.66 . . . . no O28 Si3 O4 Si9 30.26 . . . . no O4 Si3 O24 Si12 162.43 . . . 1_655 no O12 Si3 O4 Si9 152.46 . . . . no O24 Si3 O4 Si9 -89.57 . . . . no O12 Si3 O28 Al6 121.58 . . . . no O24 Si3 O28 Al6 0.58 . . . . no O4 Si3 O28 Al6 -116.89 . . . . no O18 Si5 O30 Al12 2.79 . . . . no O14 Si5 O30 Al12 -118.69 . . . . no O6 Si5 O14 Al3 61.72 . . . 1_645 no Al3 Si5 O30 Al12 -19.19 1_545 . . . no O14 Si5 O18 Al3 77.52 . . . 1_545 no O30 Si5 O18 Al3 -44.46 . . . 1_545 no O6 Si5 O18 Al3 -160.71 . . . 1_545 no O6 Si5 O30 Al12 118.13 . . . . no O18 Si5 Al3 O2 100.88 1_565 1_565 . . no O30 Si5 Al3 O2 -118.94 1_565 1_565 . . no O6 Si5 Al3 O2 127.66 1_565 1_565 . . no O14 Si5 Al3 O2 -9.41 1_565 1_565 . . no O14 Si5 O30 Al10 95.87 . . . . no Al3 Si5 O6 Si11 77.16 1_545 . . . no O30 Si5 O6 Si11 -29.58 . . . . no O18 Si5 Al3 O34 -152.48 1_565 1_565 . . no O6 Si5 O30 Al10 -27.31 . . . . no Al3 Si5 O30 Al10 -164.63 1_545 . . . no O18 Si5 O30 Al10 -142.65 . . . . no O30 Si5 O14 Al3 -57.18 . . . 1_645 no O6 Si5 Al3 O34 -125.69 1_565 1_565 . . no O18 Si5 O6 Si11 91.61 . . . . no O18 Si5 O14 Al3 178.08 . . . 1_645 no O30 Si5 Al3 O34 -12.30 1_565 1_565 . . no Al3 Si5 O14 Al3 -150.02 1_545 . . 1_645 no O14 Si5 O6 Si11 -150.05 . . . . no O14 Si5 Al3 O34 97.23 1_565 1_565 . . no O16 Si9 Al2 O8 15.55 . . . 1_545 no O4 Si9 Al2 O8 -125.57 . . . 1_545 no O36 Si9 Al2 O16 -94.19 . . . 1_455 no O16 Si9 O36 Al8 -111.05 . . . . no O20 Si9 Al2 O16 108.25 . . . 1_455 no O20 Si9 Al2 O32 -144.56 . . . . no O36 Si9 O16 Al2 -65.01 . . . 1_655 no Al2 Si9 O4 Si3 -132.63 . . . . no O36 Si9 O4 Si3 -45.48 . . . . no O4 Si9 Al2 O16 11.93 . . . 1_455 no O4 Si9 O20 Al2 93.54 . . . . no O16 Si9 Al2 O16 153.05 . . . 1_455 no O36 Si9 Al2 O32 13.00 . . . . no O4 Si9 Al2 O32 119.11 . . . . no Al2 Si9 O36 Al8 108.64 . . . . no O4 Si9 O36 Al8 3.54 . . . . no O20 Si9 O36 Al8 120.97 . . . . no Al2 Si9 O36 Al10 -44.81 . . . 1_455 no O36 Si9 O20 Al2 -23.98 . . . . no O20 Si9 Al2 O8 -29.25 . . . 1_545 no O36 Si9 Al2 O8 128.31 . . . 1_545 no O20 Si9 O36 Al10 -32.47 . . . 1_455 no O16 Si9 O36 Al10 95.51 . . . 1_455 no O16 Si9 O4 Si3 72.38 . . . . no O20 Si9 O4 Si3 -165.50 . . . . no O4 Si9 Al2 O20 -96.32 . . . . no O16 Si9 O20 Al2 -149.92 . . . . no O36 Si9 Al2 O20 157.56 . . . . no O4 Si9 O16 Al2 179.10 . . . 1_655 no O16 Si9 Al2 O32 -99.77 . . . . no O4 Si9 O36 Al10 -149.90 . . . 1_455 no Al2 Si9 O16 Al2 37.72 . . . 1_655 no O16 Si9 Al2 O20 44.80 . . . . no O20 Si9 O16 Al2 61.45 . . . 1_655 no O6 Si11 O22 Si1 -95.80 1_455 1_455 . . no O10 Si11 O22 Si1 147.08 1_455 1_455 . . no O38 Si11 O22 Si1 25.41 1_455 1_455 . . no O10 Si11 O6 Si5 -76.47 . . . . no O38 Si11 O10 Si1 55.65 . . . . no O22 Si11 O10 Si1 -66.38 1_655 . . . no O22 Si11 O38 Al8 31.16 1_655 . . 1_655 no O10 Si11 O38 Al8 -93.00 . . . 1_655 no O6 Si11 O38 Al8 149.01 . . . 1_655 no O38 Si11 O6 Si5 42.70 . . . . no O22 Si11 O6 Si5 162.38 1_655 . . . no O10 Si11 O38 Al10 117.73 . . . . no O22 Si11 O38 Al10 -118.11 1_655 . . . no O6 Si11 O10 Si1 176.77 . . . . no O6 Si11 O38 Al10 -0.26 . . . . no O24 Si12 O40 Al12 117.14 . 1_655 . 1_565 no O40 Si12 O12 Si3 -50.75 1_455 . . . no O12 Si12 O40 Al6 93.89 1_655 1_655 . . no O24 Si12 O8 Al2 -156.77 1_455 . . 1_565 no O40 Si12 O8 Al2 -36.48 1_455 . . 1_565 no O24 Si12 O12 Si3 68.01 1_455 . . . no O8 Si12 O12 Si3 -173.49 . . . . no O12 Si12 O24 Si3 -149.72 1_655 1_655 . . no O24 Si12 O40 Al6 -26.85 . 1_655 . . no O12 Si12 O8 Al2 82.97 . . . 1_565 no O8 Si12 O24 Si3 92.69 1_655 1_655 . . no O40 Si12 O24 Si3 -30.87 . 1_655 . . no O8 Si12 O40 Al6 -147.37 1_655 1_655 . . no O3 Si2 Al4 O11 11.47 . . . 1_455 no O27 Si2 Al4 O39 12.29 . . . . no O11 Si2 Al4 O11 148.55 . . . 1_455 no O23 Si2 Al4 O11 38.27 . . . 1_455 no O27 Si2 Al4 O11 -101.93 . . . 1_455 no O3 Si2 Al4 O7 -127.67 . . . 1_565 no O11 Si2 Al4 O39 -97.23 . . . . no O23 Si2 Al4 O39 152.49 . . . . no O27 Si2 O11 Al4 57.19 . . . 1_655 no Al4 Si2 O3 Si8 -77.18 . . . . no O11 Si2 O3 Si8 150.03 . . . . no O23 Si2 O3 Si8 -91.63 . . . . no O27 Si2 O3 Si8 29.58 . . . . no Al4 Si2 O11 Al4 150.04 . . . 1_655 no O3 Si2 O11 Al4 -61.70 . . . 1_655 no O23 Si2 O11 Al4 -178.06 . . . 1_655 no O11 Si2 O23 Al4 -77.52 . . . . no Al4 Si2 O27 Al5 19.19 . . . . no O3 Si2 O27 Al5 -118.14 . . . . no O11 Si2 O27 Al5 118.69 . . . . no O23 Si2 O27 Al5 -2.80 . . . . no O11 Si2 Al4 O7 9.41 . . . 1_565 no O23 Si2 Al4 O7 -100.88 . . . 1_565 no O27 Si2 Al4 O7 118.93 . . . 1_565 no O11 Si2 O27 Al7 -95.86 . . . . no O23 Si2 O27 Al7 142.65 . . . . no O3 Si2 Al4 O39 125.69 . . . . no O3 Si2 Al4 O23 -26.79 . . . . no O27 Si2 Al4 O23 -140.19 . . . . no O27 Si2 O23 Al4 44.46 . . . . no O3 Si2 O23 Al4 160.71 . . . . no O3 Si2 O27 Al7 27.31 . . . . no O11 Si2 Al4 O23 110.29 . . . . no Al4 Si2 O27 Al7 164.63 . . . . no O5 Si4 O29 Al11 116.89 . . . 1_665 no O13 Si4 O17 Si7 79.27 1_455 1_455 . . no O5 Si4 O13 Si7 69.32 . . . . no O5 Si4 O17 Si7 -162.43 1_455 1_455 . . no O17 Si4 O5 Si10 89.58 1_655 . . . no O29 Si4 O5 Si10 -30.25 . . . . no O29 Si4 O17 Si7 -42.69 1_455 1_455 . . no O17 Si4 O29 Al9 -145.13 1_655 . . 1_665 no O29 Si4 O13 Si7 -52.59 . . . . no O13 Si4 O29 Al9 93.87 . . . 1_665 no O17 Si4 O13 Si7 -174.33 1_655 . . . no O13 Si4 O5 Si10 -152.45 . . . . no O17 Si4 O29 Al11 -0.58 1_655 . . 1_665 no O5 Si4 O29 Al9 -27.67 . . . 1_665 no O13 Si4 O29 Al11 -121.58 . . . 1_665 no O31 Si6 O19 Si8 36.92 1_655 1_655 . . no O7 Si6 O15 Si8 -67.44 . . . . no O7 Si6 O19 Si8 159.61 1_655 1_655 . . no O31 Si6 O15 Si8 58.00 . . . . no O15 Si6 O31 Al11 -96.13 . . . . no O19 Si6 O7 Al4 -94.19 1_455 . . 1_545 no O19 Si6 O31 Al11 147.28 1_455 . . . no O19 Si6 O15 Si8 176.08 1_455 . . . no O15 Si6 O19 Si8 -80.73 1_655 1_655 . . no O7 Si6 O31 Al11 28.45 . . . . no O15 Si6 O7 Al4 149.14 . . . 1_545 no O15 Si6 O31 Al9 121.95 . . . . no O31 Si6 O7 Al4 26.15 . . . 1_545 no O7 Si6 O31 Al9 -113.48 . . . . no O19 Si6 O31 Al9 5.36 1_455 . . . no O17 Si7 O1 Al1 156.76 . . . . no O1 Si7 O13 Si4 173.48 . . . . no O13 Si7 O1 Al1 -82.99 . . . . no O17 Si7 O33 Al5 -117.13 . . . . no O13 Si7 O33 Al11 -93.89 . . . 1_565 no O17 Si7 O33 Al11 26.85 . . . 1_565 no O13 Si7 O33 Al5 122.13 . . . . no O1 Si7 O17 Si4 -92.69 . . . 1_455 no O33 Si7 O17 Si4 30.88 . . . 1_455 no O33 Si7 O1 Al1 36.47 . . . . no O13 Si7 O17 Si4 149.73 . . . 1_455 no O1 Si7 O33 Al11 147.38 . . . 1_565 no O33 Si7 O13 Si4 50.74 . . . . no O1 Si7 O33 Al5 3.40 . . . . no O17 Si7 O13 Si4 -68.02 . . . . no O3 Si8 O19 Si6 95.82 . . . 1_655 no O19 Si8 O35 Al9 -31.15 . . . 1_655 no O3 Si8 O35 Al9 -149.02 . . . 1_655 no O3 Si8 O35 Al7 0.25 . . . . no O19 Si8 O35 Al7 118.11 . . . . no O19 Si8 O3 Si2 -162.38 . . . . no O15 Si8 O35 Al7 -117.73 . . . . no O15 Si8 O35 Al9 93.00 . . . 1_655 no O35 Si8 O3 Si2 -42.69 . . . . no O35 Si8 O19 Si6 -25.40 . . . 1_655 no O19 Si8 O15 Si6 66.40 . . . . no O35 Si8 O15 Si6 -55.64 . . . . no O15 Si8 O19 Si6 -147.08 . . . 1_655 no O3 Si8 O15 Si6 -176.76 . . . . no O15 Si8 O3 Si2 76.48 . . . . no O21 Si10 Al1 O25 144.56 1_545 1_545 . . no Al1 Si10 O9 Al1 -37.73 1_565 . . 1_665 no O37 Si10 Al1 O25 -12.99 1_545 1_545 . . no Al1 Si10 O37 Al9 -108.63 1_565 . . 1_665 no O37 Si10 O9 Al1 65.01 . . . 1_665 no O9 Si10 O5 Si4 -72.40 . . . . no O21 Si10 O5 Si4 165.48 . . . . no O37 Si10 O5 Si4 45.46 . . . . no O21 Si10 O9 Al1 -61.45 . . . 1_665 no O5 Si10 O21 Al1 -93.53 . . . 1_565 no O9 Si10 O37 Al7 -95.51 . . . 1_565 no O37 Si10 O21 Al1 23.99 . . . 1_565 no Al1 Si10 O5 Si4 132.62 1_565 . . . no O9 Si10 O21 Al1 149.93 . . . 1_565 no O5 Si10 O37 Al9 -3.53 . . . 1_665 no O9 Si10 O37 Al9 111.06 . . . 1_665 no O21 Si10 O37 Al9 -120.97 . . . 1_665 no O9 Si10 Al1 O1 -15.52 1_545 1_545 . . no O21 Si10 Al1 O1 29.25 1_545 1_545 . . no O37 Si10 Al1 O1 -128.30 1_545 1_545 . . no O5 Si10 Al1 O25 -119.12 1_545 1_545 . . no O9 Si10 Al1 O25 99.78 1_545 1_545 . . no O5 Si10 O37 Al7 149.90 . . . 1_565 no O5 Si10 O9 Al1 -179.10 . . . 1_665 no O5 Si10 Al1 O1 125.58 1_545 1_545 . . no Al1 Si10 O37 Al7 44.80 1_565 . . 1_565 no O21 Si10 O37 Al7 32.46 . . . 1_565 no O16 Al2 O32 Al12 -96.37 1_455 . . 1_455 no O32 Al2 O8 Si12 24.20 . . 1_545 1_545 no O32 Al2 O20 Si9 39.01 . . . . no O16 Al2 O20 Si9 -77.71 1_455 . . . no O20 Al2 O8 Si12 -97.28 . . 1_545 1_545 no Si9 Al2 O32 Al12 165.21 . . . 1_455 no Si9 Al2 O32 Al10 19.83 . . . 1_455 no O8 Al2 O32 Al10 -114.67 1_545 . . 1_455 no O8 Al2 O32 Al12 30.71 1_545 . . 1_455 no Si9 Al2 O16 Si9 156.36 . . 1_455 1_455 no O20 Al2 O16 Si9 -175.41 . . 1_455 1_455 no O32 Al2 O16 Si9 63.94 . . 1_455 1_455 no Si9 Al2 O8 Si12 -83.20 . . 1_545 1_545 no O20 Al2 O32 Al12 147.64 . . . 1_455 no O16 Al2 O32 Al10 118.26 1_455 . . 1_455 no O20 Al2 O32 Al10 2.27 . . . 1_455 no O8 Al2 O20 Si9 157.71 1_545 . . . no O18 Al3 O34 Al6 -119.62 1_565 . . . no O2 Al3 O34 Al6 0.32 . . . . no O34 Al3 O2 Si1 40.58 . . . . no O18 Al3 O34 Al12 30.40 1_565 . . 1_565 no O2 Al3 O18 Si5 -89.20 . . 1_565 1_565 no O14 Al3 O2 Si1 -78.62 1_465 . . . no Si5 Al3 O2 Si1 129.42 1_565 . . . no O18 Al3 O2 Si1 160.23 1_565 . . . no O14 Al3 O34 Al12 -93.41 1_465 . . 1_565 no O2 Al3 O14 Si5 174.95 . . 1_465 1_465 no O34 Al3 O14 Si5 57.98 . . 1_465 1_465 no Si5 Al3 O34 Al12 44.30 1_565 . . 1_565 no O14 Al3 O34 Al6 116.57 1_465 . . . no O34 Al3 O18 Si5 29.21 . . 1_565 1_565 no O2 Al3 O34 Al12 150.34 . . . 1_565 no Si5 Al3 O34 Al6 -105.72 1_565 . . . no O26 Al6 O28 Al8 -1.26 . . . . no O40 Al6 O28 Al8 172.41 . . . . no O26 Al6 O28 Si3 148.75 . . . . no O48 Al6 O28 Al8 -93.22 . . . . no O26 Al6 O34 Al3 -37.62 . . . . no O34 Al6 O28 Si3 -117.20 . . . . no O34 Al6 O28 Al8 92.78 . . . . no O40 Al6 O28 Si3 -37.57 . . . . no O40 Al6 O46 Al8 91.75 . . . 1_655 no O48 Al6 O28 Si3 56.80 . . . . no O48 Al6 O26 Al8 93.00 . . . . no O40 Al6 O34 Al12 0.48 . . . 1_565 no O40 Al6 O48 Al8 -95.74 . . . 1_655 no O46 Al6 O48 Al8 0.88 . . . 1_655 no O46 Al6 O34 Al12 -96.27 . . . 1_565 no O28 Al6 O40 Al12 -98.47 . . . 1_565 no O28 Al6 O40 Si12 53.21 . . . 1_655 no O34 Al6 O40 Al12 -0.44 . . . 1_565 no O34 Al6 O40 Si12 151.24 . . . 1_655 no O46 Al6 O40 Al12 92.89 . . . 1_565 no O46 Al6 O40 Si12 -115.43 . . . 1_655 no O26 Al6 O34 Al12 167.99 . . . 1_565 no O34 Al6 O46 Al8 171.84 . . . 1_655 no O28 Al6 O34 Al12 90.01 . . . 1_565 no O48 Al6 O46 Al8 -0.87 . . . 1_655 no O26 Al6 O48 Al8 95.67 . . . 1_655 no O28 Al6 O48 Al8 173.10 . . . 1_655 no O46 Al6 O26 Si1 -40.44 . . . . no O46 Al6 O34 Al3 58.11 . . . . no O48 Al6 O26 Si1 -116.53 . . . . no O28 Al6 O34 Al3 -115.61 . . . . no O28 Al6 O26 Si1 151.75 . . . . no O28 Al6 O26 Al8 1.28 . . . . no O34 Al6 O26 Si1 54.72 . . . . no O34 Al6 O26 Al8 -95.76 . . . . no O40 Al6 O34 Al3 154.87 . . . . no O48 Al6 O40 Al12 169.25 . . . 1_565 no O26 Al6 O46 Al8 -92.03 . . . 1_655 no O48 Al6 O40 Si12 -39.07 . . . 1_655 no O46 Al6 O26 Al8 169.09 . . . . no O36 Al8 O26 Si1 119.46 . . . . no O38 Al8 O26 Al6 -171.31 1_455 . . . no O46 Al8 O26 Si1 -54.77 1_455 . . . no O28 Al8 O26 Al6 -1.27 . . . . no O28 Al8 O26 Si1 -148.65 . . . . no O36 Al8 O48 Al6 -173.91 . . 1_455 1_455 no O36 Al8 O26 Al6 -93.16 . . . . no O38 Al8 O26 Si1 41.31 1_455 . . . no O28 Al8 O36 Si9 34.84 . . . . no O28 Al8 O36 Al10 -167.20 . . . 1_455 no O38 Al8 O36 Si9 -157.80 1_455 . . . no O38 Al8 O36 Al10 0.17 1_455 . . 1_455 no O48 Al8 O36 Si9 -61.32 1_455 . . . no O26 Al8 O36 Si9 113.74 . . . . no O26 Al8 O36 Al10 -88.29 . . . 1_455 no O26 Al8 O28 Al6 1.29 . . . . no O36 Al8 O28 Si3 -52.33 . . . . no O48 Al8 O28 Si3 39.99 1_455 . . . no O46 Al8 O28 Al6 -91.05 1_455 . . . no O26 Al8 O46 Al6 -172.97 . . 1_455 1_455 no O48 Al8 O28 Al6 -168.06 1_455 . . . no O28 Al8 O48 Al6 92.27 . . 1_455 1_455 no O26 Al8 O28 Si3 -150.65 . . . . no O26 Al8 O38 Si11 -56.07 . . 1_455 1_455 no O26 Al8 O38 Al10 98.82 . . 1_455 1_455 no O36 Al8 O38 Si11 -155.06 . . 1_455 1_455 no O36 Al8 O38 Al10 -0.17 . . 1_455 1_455 no O46 Al8 O28 Si3 117.00 1_455 . . . no O46 Al8 O26 Al6 92.61 1_455 . . . no O28 Al8 O46 Al6 -94.27 . . 1_455 1_455 no O48 Al8 O36 Al10 96.64 1_455 . . 1_455 no O36 Al8 O28 Al6 99.62 . . . . no O42 Al10 O30 Si5 -37.09 . . . . no O38 Al10 O30 Al12 -100.09 . . . . no O44 Al10 O30 Al12 92.06 . . . . no O44 Al10 O30 Si5 -115.10 . . . . no O38 Al10 O30 Si5 52.74 . . . . no O38 Al10 O36 Al8 -0.17 . . 1_655 1_655 no O42 Al10 O30 Al12 170.08 . . . . no O42 Al10 O36 Al8 88.29 . . 1_655 1_655 no O44 Al10 O36 Si9 -34.84 . . 1_655 1_655 no O32 Al10 O30 Si5 150.77 1_655 . . . no O36 Al10 O42 Al12 97.34 1_655 . . 1_655 no O30 Al10 O44 Al12 93.60 . . . 1_655 no O32 Al10 O30 Al12 -2.06 1_655 . . . no O42 Al10 O36 Si9 -112.83 . . 1_655 1_655 no O30 Al10 O38 Al8 169.54 . . . 1_655 no O42 Al10 O38 Si11 59.97 . . . . no O44 Al10 O36 Al8 166.28 . . 1_655 1_655 no O32 Al10 O38 Si11 -114.85 1_655 . . . no O44 Al10 O32 Al2 57.46 . . 1_655 1_655 no O32 Al10 O38 Al8 90.33 1_655 . . 1_655 no O36 Al10 O38 Si11 154.99 1_655 . . . no O36 Al10 O38 Al8 0.17 1_655 . . 1_655 no O30 Al10 O42 Al12 -94.67 . . . 1_655 no O38 Al10 O42 Al12 173.46 . . . 1_655 no O44 Al10 O42 Al12 0.74 . . . 1_655 no O44 Al10 O32 Al12 -93.41 . . 1_655 . no O42 Al10 O38 Al8 -94.85 . . . 1_655 no O42 Al10 O44 Al12 -0.74 . . . 1_655 no O30 Al10 O38 Si11 -35.63 . . . . no O30 Al10 O32 Al2 153.06 . . 1_655 1_655 no O38 Al10 O32 Al12 92.53 . . 1_655 . no O38 Al10 O32 Al2 -116.60 . . 1_655 1_655 no O30 Al10 O32 Al12 2.18 . . 1_655 . no O36 Al10 O32 Al12 168.90 1_655 . 1_655 . no O38 Al10 O36 Si9 158.72 . . 1_655 1_655 no O32 Al10 O44 Al12 173.14 1_655 . . 1_655 no O36 Al10 O44 Al12 -94.03 1_655 . . 1_655 no O42 Al12 O30 Al10 95.36 1_455 . . . no O32 Al12 O30 Al10 2.03 1_655 . . . no O42 Al12 O30 Si5 -57.70 1_455 . . . no O30 Al12 O32 Al2 -153.18 . . 1_655 1_655 no O42 Al12 O32 Al10 -94.72 1_455 . 1_655 . no O44 Al12 O32 Al10 -172.09 1_455 . 1_655 . no O40 Al12 O32 Al10 96.38 1_545 . 1_655 . no O30 Al12 O40 Al6 -88.44 . . 1_545 1_545 no O30 Al12 O40 Si12 119.67 . . 1_545 1_645 no O30 Al12 O32 Al10 -2.18 . . 1_655 . no O40 Al12 O30 Si5 118.46 1_545 . . . no O30 Al12 O34 Al6 98.42 . . 1_545 1_545 no O30 Al12 O34 Al3 -57.06 . . 1_545 1_545 no O30 Al12 O42 Al10 -176.29 . . 1_455 1_455 no O32 Al12 O30 Si5 -151.03 1_655 . . . no O34 Al12 O30 Si5 41.21 1_545 . . . no O34 Al12 O30 Al10 -165.73 1_545 . . . no O40 Al12 O30 Al10 -88.48 1_545 . . . no O9 Al1 O25 Al5 96.37 1_445 . . . no Si10 Al1 O25 Al7 -19.83 1_545 . . . no O21 Al1 O25 Al5 -147.65 1_545 . . . no O1 Al1 O25 Al7 114.66 . . . . no O25 Al1 O9 Si10 -63.93 . . 1_445 1_445 no O9 Al1 O25 Al7 -118.25 1_445 . . . no Si10 Al1 O25 Al5 -165.21 1_545 . . . no O25 Al1 O1 Si7 -24.18 . . . . no O9 Al1 O1 Si7 -145.38 1_445 . . . no O21 Al1 O25 Al7 -2.27 1_545 . . . no O1 Al1 O9 Si10 58.14 . . 1_445 1_445 no O25 Al1 O21 Si10 -39.02 . . 1_545 1_545 no O1 Al1 O21 Si10 -157.70 . . 1_545 1_545 no O1 Al1 O25 Al5 -30.72 . . . . no Si10 Al1 O1 Si7 83.20 1_545 . . . no O21 Al1 O1 Si7 97.28 1_545 . . . no O11 Al4 O23 Si2 -152.70 1_455 . . . no O7 Al4 O23 Si2 89.20 1_565 . . . no Si2 Al4 O39 Al5 -44.29 . . . . no Si2 Al4 O39 Al11 105.72 . . . 1_565 no O11 Al4 O39 Al11 -116.58 1_455 . . 1_565 no O7 Al4 O39 Al5 -150.33 1_565 . . . no O7 Al4 O39 Al11 -0.32 1_565 . . 1_565 no Si2 Al4 O11 Si2 45.73 . . 1_455 1_455 no O23 Al4 O39 Al5 -30.39 . . . . no O23 Al4 O39 Al11 119.62 . . . 1_565 no O11 Al4 O39 Al5 93.41 1_455 . . . no O39 Al4 O23 Si2 -29.20 . . . . no Si2 Al4 O7 Si6 -129.44 . . 1_565 1_565 no O23 Al4 O7 Si6 -160.25 . . 1_565 1_565 no O39 Al4 O7 Si6 -40.59 . . 1_565 1_565 no O23 Al4 O11 Si2 64.76 . . 1_455 1_455 no O39 Al4 O11 Si2 -57.99 . . 1_455 1_455 no O25 Al5 O45 Al7 -92.93 . . . 1_455 no O47 Al5 O45 Al7 -0.73 . . . 1_455 no O33 Al5 O45 Al7 174.54 . . . 1_455 no O39 Al5 O45 Al7 97.23 . . . 1_455 no O39 Al5 O47 Al7 -92.31 . . . 1_455 no O45 Al5 O47 Al7 0.74 . . . 1_455 no O25 Al5 O27 Si2 151.04 . . . . no O25 Al5 O27 Al7 -2.03 . . . . no O33 Al5 O27 Si2 -118.45 . . . . no O25 Al5 O47 Al7 98.13 . . . 1_455 no O27 Al5 O47 Al7 176.30 . . . 1_455 no O39 Al5 O27 Al7 165.72 . . . . no O47 Al5 O27 Si2 57.70 . . . . no O47 Al5 O27 Al7 -95.37 . . . . no O25 Al5 O33 Si7 -41.48 . . . . no O25 Al5 O33 Al11 166.64 . . . 1_565 no O27 Al5 O33 Si7 -119.68 . . . . no O27 Al5 O33 Al11 88.44 . . . 1_565 no O39 Al5 O33 Si7 151.44 . . . . no O39 Al5 O33 Al11 -0.44 . . . 1_565 no O45 Al5 O33 Si7 56.66 . . . . no O45 Al5 O33 Al11 -95.22 . . . 1_565 no O27 Al5 O39 Al4 57.05 . . . . no O27 Al5 O39 Al11 -98.41 . . . 1_565 no O33 Al5 O27 Al7 88.48 . . . . no O39 Al5 O27 Si2 -41.20 . . . . no O45 Al5 O39 Al11 90.58 . . . 1_565 no O47 Al5 O39 Al4 -36.42 . . . . no O47 Al5 O39 Al11 168.12 . . . 1_565 no O27 Al5 O25 Al1 153.19 . . . . no O27 Al5 O25 Al7 2.18 . . . . no O33 Al5 O25 Al1 54.63 . . . . no O33 Al5 O25 Al7 -96.38 . . . . no O45 Al5 O25 Al1 -36.91 . . . . no O45 Al5 O25 Al7 172.09 . . . . no O47 Al5 O25 Al1 -114.28 . . . . no O47 Al5 O25 Al7 94.71 . . . . no O33 Al5 O39 Al4 155.93 . . . . no O33 Al5 O39 Al11 0.47 . . . 1_565 no O45 Al5 O39 Al4 -113.96 . . . . no O27 Al7 O25 Al1 -153.06 . . . . no O27 Al7 O25 Al5 -2.18 . . . . no O35 Al7 O25 Al1 116.59 . . . . no O45 Al7 O25 Al1 -57.47 1_655 . . . no O45 Al7 O25 Al5 93.41 1_655 . . . no O25 Al7 O27 Si2 -150.78 . . . . no O25 Al7 O27 Al5 2.06 . . . . no O35 Al7 O27 Si2 -52.74 . . . . no O35 Al7 O27 Al5 100.09 . . . . no O45 Al7 O27 Si2 115.11 1_655 . . . no O45 Al7 O27 Al5 -92.06 1_655 . . . no O47 Al7 O27 Si2 37.09 1_655 . . . no O47 Al7 O27 Al5 -170.08 1_655 . . . no O25 Al7 O35 Si8 114.85 . . . . no O25 Al7 O35 Al9 -90.33 . . . 1_655 no O35 Al7 O25 Al5 -92.53 . . . . no O37 Al7 O25 Al1 40.23 1_545 . . . no O37 Al7 O25 Al5 -168.89 1_545 . . . no O37 Al7 O35 Si8 -154.98 1_545 . . . no O37 Al7 O35 Al9 -0.17 1_545 . . 1_655 no O47 Al7 O35 Si8 -59.97 1_655 . . . no O47 Al7 O35 Al9 94.85 1_655 . . 1_655 no O25 Al7 O37 Si10 -60.74 . . 1_545 1_545 no O25 Al7 O37 Al9 98.14 . . 1_545 1_655 no O35 Al7 O37 Si10 -158.71 . . 1_545 1_545 no O35 Al7 O37 Al9 0.17 . . 1_545 1_655 no O25 Al7 O45 Al5 -173.15 . . 1_655 1_655 no O27 Al7 O45 Al5 -93.60 . . 1_655 1_655 no O27 Al7 O47 Al5 94.67 . . 1_655 1_655 no O35 Al7 O47 Al5 -173.46 . . 1_655 1_655 no O27 Al7 O35 Al9 -169.55 . . . 1_655 no O27 Al7 O35 Si8 35.64 . . . . no O43 Al9 O31 Al11 -92.61 . . . . no O43 Al9 O31 Si6 54.77 . . . . no O37 Al9 O31 Si6 -119.46 1_445 . . . no O37 Al9 O31 Al11 93.16 1_445 . . . no O35 Al9 O31 Si6 -41.31 1_455 . . . no O35 Al9 O31 Al11 171.30 1_455 . . . no O43 Al9 O41 Al11 0.87 . . . 1_455 no O29 Al9 O41 Al11 -92.28 1_445 . . 1_455 no O37 Al9 O41 Al11 173.91 1_445 . . 1_455 no O35 Al9 O41 Al11 95.52 1_455 . . 1_455 no O31 Al9 O43 Al11 172.96 . . . 1_455 no O41 Al9 O43 Al11 -0.88 . . . 1_455 no O29 Al9 O43 Al11 94.26 1_445 . . 1_455 no O35 Al9 O43 Al11 -96.38 1_455 . . 1_455 no O31 Al9 O29 Al11 -1.30 . . 1_445 . no O29 Al9 O31 Si6 148.66 1_445 . . . no O29 Al9 O31 Al11 1.27 1_445 . . . no O43 Al9 O29 Si4 -117.00 . . 1_445 1_445 no O37 Al9 O29 Al11 -99.62 1_445 . 1_445 . no O31 Al9 O37 Si10 -113.75 . . 1_445 1_445 no O31 Al9 O37 Al7 88.29 . . 1_445 1_455 no O41 Al9 O37 Si10 61.31 . . 1_445 1_445 no O41 Al9 O37 Al7 -96.65 . . 1_445 1_455 no O31 Al9 O35 Si8 56.07 . . 1_455 1_455 no O31 Al9 O35 Al7 -98.82 . . 1_455 1_455 no O41 Al9 O35 Si8 -114.37 . . 1_455 1_455 no O41 Al9 O35 Al7 90.74 . . 1_455 1_455 no O43 Al9 O35 Si8 -37.15 . . 1_455 1_455 no O43 Al9 O35 Al7 167.96 . . 1_455 1_455 no O41 Al9 O29 Al11 168.06 . . 1_445 . no O41 Al9 O29 Si4 -39.99 . . 1_445 1_445 no O31 Al9 O29 Si4 150.65 . . 1_445 1_445 no O43 Al9 O29 Al11 91.05 . . 1_445 . no O29 Al11 O31 Si6 -151.75 1_445 . . . no O29 Al11 O31 Al9 -1.28 1_445 . . . no O43 Al11 O31 Si6 40.44 1_655 . . . no O43 Al11 O31 Al9 -169.09 1_655 . . . no O31 Al11 O29 Al9 1.27 . . 1_445 . no O31 Al11 O29 Si4 -148.76 . . 1_445 1_445 no O33 Al11 O29 Al9 -172.41 1_545 . 1_445 . no O39 Al11 O29 Al9 -92.78 1_545 . 1_445 . no O41 Al11 O29 Al9 93.23 1_655 . 1_445 . no O31 Al11 O39 Al4 37.63 . . 1_545 1_545 no O31 Al11 O39 Al5 -168.00 . . 1_545 1_545 no O31 Al11 O41 Al9 -95.67 . . 1_655 1_655 no O31 Al11 O43 Al9 92.03 . . 1_655 1_655 no O39 Al11 O31 Si6 -54.73 1_545 . . . no O39 Al11 O31 Al9 95.75 1_545 . . . no O41 Al11 O31 Si6 116.53 1_655 . . . no O41 Al11 O31 Al9 -92.99 1_655 . . . no loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag # #D H A D - H H...A D...A D - H...A symm(A) # O42 H2 O10 0.9700 2.4000 3.1518 134.00 1_655 yes O42 H2 O26 0.9700 2.5600 3.3336 137.00 1_655 yes O43 H3 O11 0.9700 2.2500 3.1517 155.00 1_445 yes O44 H4 O12 0.9700 2.4200 3.1743 135.00 1_645 yes O44 H4 O28 0.9700 2.5700 3.3312 135.00 1_645 yes O44 H4 O40 0.9700 2.5800 3.3751 139.00 1_545 yes O45 H5 O13 0.9700 2.4200 3.1743 135.00 1_455 yes O45 H5 O29 0.9700 2.5700 3.3311 135.00 1_455 yes O45 H5 O33 0.9700 2.5800 3.3749 139.00 1_455 yes O46 H6 O14 0.9700 2.2500 3.1519 155.00 1_565 yes O47 H7 O15 0.9700 2.4000 3.1517 134.00 . yes O47 H7 O31 0.9700 2.5600 3.3336 137.00 . yes O48 H8 O16 0.9700 2.1500 3.0721 157.00 . yes # Loop Mechanism for Extra Tables(s) #loop_ #_publ_manuscript_incl_extra_item #'_geom_extra_tableA_col_1' #'_geom_extra_tableA_col_2' #'_geom_extra_tableA_col_3' #'_geom_extra_table_head_A' #'_geom_table_footnote_A' #'_geom_extra_tableB_col_1' #'_geom_extra_tableB_col_2' #'_geom_extra_tableB_col_3' #'_geom_extra_table_head_B' #'_geom_table_footnote_B' # #loop_ #_geom_extra_tableA_col_1 #_geom_extra_tableA_col_2 #_geom_extra_tableA_col_3 # ? ? ? # #loop_ #_geom_extra_tableB_col_1 #_geom_extra_tableB_col_2 #_geom_extra_tableB_col_3 # ? ? ? # #_geom_table_footnote_A #; # ? #; # #_geom_table_footnote_B #; # ? #; # #_geom_table_footnote_A #; # ? #; # #_geom_table_footnote_B #; # ? #; #===END