# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'R. Morris' _publ_contact_author_address ; School of Chemistry Purdie Building University of St Andrews St Andrews FIFE KY16 9ST UNITED KINGDOM ; _publ_contact_author_email REM1@ST-AND.AC.UK _publ_section_title ; The ionothermal synthesis of SIZ-6 a layered aluminophosphate ; loop_ _publ_author_name 'R. Morris' 'Emily R. Parnham' 'Paul S. Wheatley' # Attachment 'B513458G.cif' data_squeeze _database_code_depnum_ccdc_archive 'CCDC 285931' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety Al4(PO4)3(HPO4)2.0.2H2O.C6H11N2 _chemical_formula_sum 'C6 H13.4 Al4 N2 O20.2 P5' _chemical_formula_weight 699.38 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O O 0.0103 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0614 0.0490 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.0984 0.0900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 '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' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'C m c a' _symmetry_space_group_name_Hall '-C 2bc 2' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'x, -y, -z' 'x+1/2, y+1/2, z' '-x+1/2, -y+1, z+1/2' '-x+1/2, y+1, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x, y-1/2, -z-1/2' 'x, -y-1/2, z-1/2' '-x, y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, y, -z-1/2' 'x+1/2, -y, z-1/2' '-x+1/2, y+1/2, z' _cell_length_a 17.5472(14) _cell_length_b 18.0516(15) _cell_length_c 35.560(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 11263.9(16) _cell_formula_units_Z 16 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle _exptl_crystal_colour colourless _exptl_crystal_size_max 0.02 _exptl_crystal_size_mid 0.02 _exptl_crystal_size_min 0.001 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.65 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5632 _exptl_absorpt_coefficient_mu 0.502 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.69330 _diffrn_radiation_type 'Monochromated x-ray synchrotron radiation' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator 'silicon (111)' _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28464 _diffrn_reflns_av_R_equivalents 0.0780 _diffrn_reflns_av_sigmaI/netI 0.0384 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 35 _diffrn_reflns_theta_min 1.67 _diffrn_reflns_theta_max 24.58 _reflns_number_total 3077 _reflns_number_gt 2570 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement SAINT _computing_data_reduction SAINT _computing_structure_solution SHELXL-97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0626P)^2^+110.0034P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3077 _refine_ls_number_parameters 297 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0717 _refine_ls_R_factor_gt 0.0570 _refine_ls_wR_factor_ref 0.1424 _refine_ls_wR_factor_gt 0.1365 _refine_ls_goodness_of_fit_ref 1.114 _refine_ls_restrained_S_all 1.114 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group P1 P 0.0000 0.03137(13) 0.31020(7) 0.0155(6) Uani 1 2 d S . . P2 P 0.14468(10) 0.19592(9) 0.36064(5) 0.0167(5) Uani 1 1 d . . . P3 P 0.12476(10) 0.27872(9) 0.24815(5) 0.0176(5) Uani 1 1 d . . . P4 P 0.0000 0.00781(15) 0.43944(8) 0.0230(7) Uani 1 2 d S . . P5 P 0.0000 0.43811(19) 0.44942(10) 0.0431(9) Uani 1 2 d S . . P6 P 0.0000 0.37836(14) 0.32685(8) 0.0289(8) Uani 1 2 d S . . P7 P 0.23065(10) -0.10765(10) 0.37659(5) 0.0217(5) Uani 1 1 d . . . Al1 Al 0.0000 0.39588(14) 0.24943(9) 0.0171(7) Uani 1 2 d S . . Al2 Al 0.09684(12) 0.34772(11) 0.39542(6) 0.0226(6) Uani 1 1 d . . . Al3 Al 0.12315(11) 0.03083(11) 0.37527(6) 0.0183(5) Uani 1 1 d . . . Al4 Al 0.24969(12) 0.28135(11) 0.31006(6) 0.0219(5) Uani 1 1 d . . . Al5 Al 0.0000 0.20494(15) 0.29973(8) 0.0154(7) Uani 1 2 d S . . O1 O 0.0000 0.4067(4) 0.4876(2) 0.052(2) Uani 1 2 d S . . O2 O 0.0000 0.5243(5) 0.4531(3) 0.110(5) Uani 1 2 d S . . O4 O 0.0000 -0.0294(3) 0.28069(18) 0.0210(16) Uani 1 2 d S . . O5 O 0.0000 0.1042(3) 0.29065(17) 0.0168(15) Uani 1 2 d S . . O6 O 0.1812(3) 0.3059(3) 0.27772(13) 0.0257(12) Uani 1 1 d . . . O7 O 0.0766(2) 0.2168(2) 0.26244(12) 0.0208(11) Uani 1 1 d . . . O8 O 0.1418(2) 0.2566(2) 0.39037(13) 0.0195(11) Uani 1 1 d . . . O9 O 0.0000 0.3008(3) 0.39958(19) 0.0238(17) Uani 1 2 d S . . O10 O 0.0701(3) 0.0093(3) 0.41457(14) 0.0307(13) Uani 1 1 d . . . O11 O 0.0706(3) 0.0204(2) 0.33498(13) 0.0271(12) Uani 1 1 d . . . O12 O 0.1691(2) 0.2515(2) 0.21383(12) 0.0194(11) Uani 1 1 d . . . O13 O 0.0000 0.3069(3) 0.30516(18) 0.0188(16) Uani 1 2 d S . . O14 O 0.2006(2) -0.0293(2) 0.37343(12) 0.0213(11) Uani 1 1 d . . . O15 O 0.0000 -0.0674(4) 0.4605(2) 0.0361(19) Uani 1 2 d S . . O16 O 0.0000 0.0698(4) 0.4677(2) 0.038(2) Uani 1 2 d S . . O17 O 0.1563(2) 0.1217(2) 0.38058(12) 0.0200(11) Uani 1 1 d . . . O18 O 0.0745(3) 0.1937(2) 0.33755(13) 0.0258(12) Uani 1 1 d . . . O19 O 0.2279(3) -0.1429(2) 0.33793(13) 0.0302(13) Uani 1 1 d . . . O20 O 0.0000 0.4361(4) 0.29447(19) 0.041(2) Uani 1 2 d S . . O21 O 0.3076(3) -0.1063(3) 0.39434(16) 0.0369(14) Uani 1 1 d . . . O22 O 0.0718(3) 0.3877(3) 0.35057(13) 0.0393(14) Uani 1 1 d . . . O23 O 0.2178(3) 0.2069(2) 0.33687(14) 0.0322(13) Uani 1 1 d . . . O24 O 0.1742(3) -0.1525(3) 0.40162(16) 0.0414(15) Uani 1 1 d . . . O25 O 0.0796(3) 0.3462(3) 0.23603(14) 0.0340(14) Uani 1 1 d . . . O100 O 0.1167(13) 0.3206(12) 0.4475(6) 0.020(5) Uiso 0.20 1 d P . . O310 O 0.0509(17) 0.4350(15) 0.4179(8) 0.018(8) Uiso 0.20 1 d P . . O320 O 0.0742(4) 0.4084(6) 0.4312(3) 0.066(3) Uani 0.80 1 d P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 P1 0.0114(14) 0.0087(14) 0.0263(15) 0.0005(12) 0.000 0.000 P2 0.0136(10) 0.0106(10) 0.0258(11) 0.0005(8) 0.0015(9) -0.0013(8) P3 0.0100(9) 0.0150(10) 0.0278(11) 0.0052(9) 0.0010(9) 0.0019(8) P4 0.0201(16) 0.0198(16) 0.0291(16) 0.0020(13) 0.000 0.000 P5 0.0319(19) 0.048(2) 0.049(2) -0.0264(18) 0.000 0.000 P6 0.051(2) 0.0094(15) 0.0266(16) 0.0005(13) 0.000 0.000 P7 0.0180(11) 0.0137(10) 0.0334(12) -0.0016(9) -0.0005(9) 0.0033(8) Al1 0.0120(15) 0.0084(15) 0.0308(18) 0.0012(14) 0.000 0.000 Al2 0.0151(11) 0.0081(11) 0.0446(14) -0.0028(10) 0.0072(11) -0.0038(9) Al3 0.0120(11) 0.0119(11) 0.0311(13) 0.0000(9) 0.0001(9) 0.0018(9) Al4 0.0174(12) 0.0187(12) 0.0297(12) -0.0055(10) 0.0051(10) -0.0059(9) Al5 0.0104(15) 0.0093(16) 0.0263(17) 0.0001(13) 0.000 0.000 O1 0.072(6) 0.043(5) 0.040(5) 0.011(4) 0.000 0.000 O2 0.246(16) 0.041(6) 0.044(6) -0.005(5) 0.000 0.000 O4 0.022(4) 0.015(4) 0.027(4) -0.005(3) 0.000 0.000 O5 0.019(4) 0.011(4) 0.021(4) 0.000(3) 0.000 0.000 O6 0.018(3) 0.024(3) 0.035(3) -0.005(2) 0.000(2) -0.002(2) O7 0.012(3) 0.017(3) 0.033(3) 0.000(2) 0.006(2) 0.004(2) O8 0.017(3) 0.013(3) 0.028(3) -0.002(2) -0.004(2) 0.000(2) O9 0.017(4) 0.016(4) 0.039(4) 0.005(3) 0.000 0.000 O10 0.021(3) 0.019(3) 0.052(3) 0.004(2) 0.010(3) -0.002(2) O11 0.031(3) 0.007(2) 0.044(3) 0.002(2) -0.017(3) -0.004(2) O12 0.011(3) 0.020(3) 0.027(3) 0.007(2) 0.004(2) 0.001(2) O13 0.010(3) 0.011(4) 0.035(4) -0.004(3) 0.000 0.000 O14 0.019(3) 0.011(3) 0.034(3) -0.005(2) -0.004(2) 0.005(2) O15 0.044(5) 0.019(4) 0.045(5) 0.003(4) 0.000 0.000 O16 0.053(5) 0.032(4) 0.031(4) -0.007(4) 0.000 0.000 O17 0.020(3) 0.012(3) 0.029(3) 0.001(2) -0.003(2) 0.004(2) O18 0.021(3) 0.016(3) 0.040(3) 0.001(2) -0.016(2) 0.006(2) O19 0.043(3) 0.016(3) 0.032(3) -0.003(2) -0.003(3) 0.006(2) O20 0.077(6) 0.022(4) 0.026(4) 0.008(3) 0.000 0.000 O21 0.016(3) 0.016(3) 0.078(4) -0.013(3) -0.018(3) 0.010(2) O22 0.056(4) 0.034(3) 0.028(3) 0.005(2) 0.000(3) -0.031(3) O23 0.026(3) 0.018(3) 0.052(3) 0.004(2) 0.023(3) 0.001(2) O24 0.030(3) 0.034(3) 0.060(4) 0.006(3) 0.016(3) -0.011(3) O25 0.021(3) 0.030(3) 0.051(3) 0.019(3) 0.017(3) 0.022(2) O320 0.023(5) 0.095(8) 0.081(7) -0.069(7) 0.014(5) -0.022(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag P1 O5 1.487(6) . ? P1 O4 1.519(7) . ? P1 O11 1.533(5) . ? P1 O11 1.533(5) 12 ? P2 O18 1.481(5) . ? P2 O8 1.523(5) . ? P2 O17 1.530(5) . ? P2 O23 1.549(5) . ? P3 O7 1.490(5) . ? P3 O25 1.516(5) . ? P3 O6 1.526(5) . ? P3 O12 1.529(5) . ? P4 O16 1.505(8) . ? P4 O10 1.515(5) . ? P4 O10 1.515(5) 12 ? P4 O15 1.551(7) . ? P5 O310 1.44(3) . ? P5 O310 1.44(3) 12 ? P5 O1 1.471(8) . ? P5 O320 1.551(8) 12 ? P5 O320 1.551(8) . ? P5 O2 1.561(10) . ? P6 O13 1.503(7) . ? P6 O22 1.525(5) 12 ? P6 O22 1.525(5) . ? P6 O20 1.553(7) . ? P7 O21 1.490(5) . ? P7 O14 1.514(5) . ? P7 O19 1.515(5) . ? P7 O24 1.558(5) . ? Al1 O4 1.722(7) 10_566 ? Al1 O25 1.727(5) 12 ? Al1 O25 1.727(5) . ? Al1 O20 1.758(8) . ? Al2 O320 1.724(8) . ? Al2 O22 1.805(5) . ? Al2 O8 1.833(5) . ? Al2 O21 1.872(5) 16 ? Al2 O9 1.905(3) . ? Al2 O310 1.94(3) . ? Al2 O100 1.95(2) . ? Al3 O11 1.714(5) . ? Al3 O10 1.724(5) . ? Al3 O14 1.740(5) . ? Al3 O17 1.750(5) . ? Al4 O6 1.721(5) . ? Al4 O19 1.734(5) 16 ? Al4 O23 1.740(5) . ? Al4 O12 1.744(5) 7_545 ? Al5 O5 1.848(6) . ? Al5 O13 1.851(6) . ? Al5 O18 1.886(5) 12 ? Al5 O18 1.886(5) . ? Al5 O7 1.901(5) . ? Al5 O7 1.901(5) 12 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O5 P1 O4 108.4(4) . . ? O5 P1 O11 112.5(2) . . ? O4 P1 O11 107.7(2) . . ? O5 P1 O11 112.5(2) . 12 ? O4 P1 O11 107.7(2) . 12 ? O11 P1 O11 107.8(4) . 12 ? O18 P2 O8 112.1(3) . . ? O18 P2 O17 110.1(3) . . ? O8 P2 O17 108.2(3) . . ? O18 P2 O23 112.9(3) . . ? O8 P2 O23 108.3(3) . . ? O17 P2 O23 104.8(3) . . ? O7 P3 O25 113.8(3) . . ? O7 P3 O6 112.0(3) . . ? O25 P3 O6 106.0(3) . . ? O7 P3 O12 108.7(3) . . ? O25 P3 O12 107.3(3) . . ? O6 P3 O12 108.8(3) . . ? O16 P4 O10 112.1(3) . . ? O16 P4 O10 112.1(3) . 12 ? O10 P4 O10 108.5(4) . 12 ? O16 P4 O15 109.1(4) . . ? O10 P4 O15 107.3(3) . . ? O10 P4 O15 107.3(3) 12 . ? O310 P5 O310 77(2) . 12 ? O310 P5 O1 134.9(10) . . ? O310 P5 O1 134.9(10) 12 . ? O310 P5 O320 100.5(13) . 12 ? O1 P5 O320 104.7(5) . 12 ? O310 P5 O320 100.5(13) 12 . ? O1 P5 O320 104.7(5) . . ? O320 P5 O320 114.2(6) 12 . ? O310 P5 O2 96.0(12) . . ? O310 P5 O2 96.0(12) 12 . ? O1 P5 O2 107.8(5) . . ? O320 P5 O2 112.3(4) 12 . ? O320 P5 O2 112.3(4) . . ? O13 P6 O22 112.3(3) . 12 ? O13 P6 O22 112.3(3) . . ? O22 P6 O22 111.3(4) 12 . ? O13 P6 O20 101.3(4) . . ? O22 P6 O20 109.6(2) 12 . ? O22 P6 O20 109.6(2) . . ? O22 P6 Al1 122.5(2) 12 . ? O22 P6 Al1 122.5(2) . . ? O21 P7 O14 109.4(3) . . ? O21 P7 O19 114.9(3) . . ? O14 P7 O19 108.3(3) . . ? O21 P7 O24 110.0(3) . . ? O14 P7 O24 107.8(3) . . ? O19 P7 O24 106.3(3) . . ? O4 Al1 O25 103.6(2) 10_566 12 ? O4 Al1 O25 103.6(2) 10_566 . ? O25 Al1 O25 108.0(4) 12 . ? O4 Al1 O20 104.1(3) 10_566 . ? O25 Al1 O20 117.8(2) 12 . ? O25 Al1 O20 117.8(2) . . ? O4 Al1 P6 135.0(3) 10_566 . ? O25 Al1 P6 102.4(2) 12 . ? O25 Al1 P6 102.4(2) . . ? O20 Al1 P6 30.9(2) . . ? O320 Al2 O22 110.0(5) . . ? O320 Al2 O8 137.8(5) . . ? O22 Al2 O8 112.2(3) . . ? O320 Al2 O21 86.5(3) . 16 ? O22 Al2 O21 91.3(3) . 16 ? O8 Al2 O21 90.6(2) . 16 ? O320 Al2 O9 91.1(3) . . ? O22 Al2 O9 91.7(3) . . ? O8 Al2 O9 89.6(2) . . ? O21 Al2 O9 176.7(3) 16 . ? O320 Al2 O310 23.9(7) . . ? O22 Al2 O310 86.4(8) . . ? O8 Al2 O310 161.3(8) . . ? O21 Al2 O310 91.2(9) 16 . ? O9 Al2 O310 87.6(9) . . ? O320 Al2 O100 60.0(8) . . ? O22 Al2 O100 170.0(7) . . ? O8 Al2 O100 77.9(7) . . ? O21 Al2 O100 88.3(7) 16 . ? O9 Al2 O100 88.5(7) . . ? O310 Al2 O100 83.5(10) . . ? O11 Al3 O10 111.2(3) . . ? O11 Al3 O14 108.7(2) . . ? O10 Al3 O14 108.2(2) . . ? O11 Al3 O17 111.8(2) . . ? O10 Al3 O17 107.6(2) . . ? O14 Al3 O17 109.2(2) . . ? O6 Al4 O19 109.7(2) . 16 ? O6 Al4 O23 109.9(3) . . ? O19 Al4 O23 111.7(2) 16 . ? O6 Al4 O12 108.9(2) . 7_545 ? O19 Al4 O12 109.7(2) 16 7_545 ? O23 Al4 O12 106.9(2) . 7_545 ? O5 Al5 O13 175.9(3) . . ? O5 Al5 O18 91.1(2) . 12 ? O13 Al5 O18 91.9(2) . 12 ? O5 Al5 O18 91.1(2) . . ? O13 Al5 O18 91.9(2) . . ? O18 Al5 O18 87.7(3) 12 . ? O5 Al5 O7 89.4(2) . . ? O13 Al5 O7 87.7(2) . . ? O18 Al5 O7 178.8(2) 12 . ? O18 Al5 O7 91.1(2) . . ? O5 Al5 O7 89.4(2) . 12 ? O13 Al5 O7 87.7(2) . 12 ? O18 Al5 O7 91.1(2) 12 12 ? O18 Al5 O7 178.8(2) . 12 ? O7 Al5 O7 90.1(3) . 12 ? P1 O4 Al1 174.8(5) . 10_556 ? P1 O5 Al5 142.1(4) . . ? P3 O6 Al4 146.2(3) . . ? P3 O7 Al5 136.4(3) . . ? P2 O8 Al2 136.7(3) . . ? Al2 O9 Al2 126.3(3) . 12 ? P4 O10 Al3 156.4(4) . . ? P1 O11 Al3 154.3(4) . . ? P3 O12 Al4 134.9(3) . 7_545 ? P6 O13 Al5 155.1(4) . . ? P7 O14 Al3 148.4(3) . . ? P2 O17 Al3 136.6(3) . . ? P2 O18 Al5 165.6(3) . . ? P7 O19 Al4 147.4(3) . 16_545 ? P6 O20 Al1 113.5(4) . . ? P7 O21 Al2 144.4(3) . 16_545 ? P6 O22 Al2 130.2(3) . . ? P2 O23 Al4 131.6(3) . . ? P3 O25 Al1 139.6(3) . . ? O320 O310 P5 83(3) . . ? O320 O310 O310 121(3) . 12 ? P5 O310 O310 51.5(11) . 12 ? O320 O310 Al2 62(2) . . ? P5 O310 Al2 127.7(17) . . ? O310 O310 Al2 114.5(9) 12 . ? O310 O320 P5 67(2) . . ? O310 O320 Al2 94(3) . . ? P5 O320 Al2 136.2(5) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 24.58 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.962 _refine_diff_density_min -0.567 _refine_diff_density_rms 0.099