# Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 1145/214 data_rl3-82 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al12 Ce10 N36 O18 Si18 Sr3' _chemical_formula_weight 3285.80 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'N' 'N' 0.0061 0.0033 '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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sr' 'Sr' -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ce' 'Ce' -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Cubic _symmetry_space_group_name_H-M I-43m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y, x, z' '-y, -x, z' 'y, -x, -z' '-y, x, -z' 'x, z, y' '-x, z, -y' '-x, -z, y' 'x, -z, -y' 'z, y, x' 'z, -y, -x' '-z, y, -x' '-z, -y, x' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'z+1/2, x+1/2, y+1/2' 'z+1/2, -x+1/2, -y+1/2' '-z+1/2, -x+1/2, y+1/2' '-z+1/2, x+1/2, -y+1/2' 'y+1/2, z+1/2, x+1/2' '-y+1/2, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x+1/2' '-y+1/2, -z+1/2, x+1/2' 'y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, z+1/2, y+1/2' '-x+1/2, z+1/2, -y+1/2' '-x+1/2, -z+1/2, y+1/2' 'x+1/2, -z+1/2, -y+1/2' 'z+1/2, y+1/2, x+1/2' 'z+1/2, -y+1/2, -x+1/2' '-z+1/2, y+1/2, -x+1/2' '-z+1/2, -y+1/2, x+1/2' _cell_length_a 13.382(2) _cell_length_b 13.382(2) _cell_length_c 13.382(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2396.4(7) _cell_formula_units_Z 2 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 12 _cell_measurement_theta_min 5.71 _cell_measurement_theta_max 13.39 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 4.554 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2996 _exptl_absorpt_coefficient_mu 13.372 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.1798 _exptl_absorpt_correction_T_max 0.3177 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3875 _diffrn_reflns_av_R_equivalents 0.0721 _diffrn_reflns_av_sigmaI/netI 0.0386 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 29.98 _reflns_number_total 688 _reflns_number_gt 654 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of 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^)+(0.0414P)^2^+19.9850P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00004(11) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.01(3) _refine_ls_number_reflns 688 _refine_ls_number_parameters 57 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0333 _refine_ls_R_factor_gt 0.0298 _refine_ls_wR_factor_ref 0.0740 _refine_ls_wR_factor_gt 0.0708 _refine_ls_goodness_of_fit_ref 1.116 _refine_ls_restrained_S_all 1.116 _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 Ce1 Ce 0.37059(12) 0.37059(12) 0.0496(3) 0.0132(3) Uani 0.83(3) 2 d SP . . Sr1 Sr 0.3706(14) 0.3706(14) 0.059(2) 0.034(8) Uani 0.17(3) 2 d SP . . Sr2 Sr 0.0000 0.0000 0.0000 0.222(11) Uani 1 24 d S . . Si1 Si 0.15015(11) 0.15015(11) 0.31001(18) 0.0099(4) Uani 1 2 d S . . Si2 Si 0.3000(3) 0.0000 0.0000 0.0088(6) Uani 1 4 d S . . Al1 Al 0.20541(12) 0.20541(12) 0.95463(19) 0.0068(5) Uani 1 2 d S . . O1 O 0.2138(4) 0.2138(4) 0.3978(6) 0.0293(18) Uani 1 2 d S . . O2 O 0.2500 0.5000 0.0000 0.021(2) Uani 1 4 d S . . N1 N 0.0720(4) 0.0720(4) 0.3762(6) 0.0136(13) Uani 1 2 d S . . N2 N 0.2324(4) 0.2324(4) 0.0823(5) 0.0122(13) Uani 1 2 d S . . N3 N 0.9228(5) 0.0772(5) 0.2287(8) 0.0220(19) Uani 1 2 d S . . 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 Ce1 0.0148(5) 0.0148(5) 0.0099(6) 0.0001(3) 0.0001(3) -0.0048(6) Sr1 0.044(10) 0.044(10) 0.012(7) -0.001(3) -0.001(3) -0.023(9) Sr2 0.222(11) 0.222(11) 0.222(11) 0.000 0.000 0.000 Si1 0.0100(6) 0.0100(6) 0.0097(9) -0.0004(5) -0.0004(5) 0.0006(7) Si2 0.0102(14) 0.0081(8) 0.0081(8) -0.0005(11) 0.000 0.000 Al1 0.0066(6) 0.0066(6) 0.0071(10) 0.0000(6) 0.0000(6) -0.0011(8) O1 0.034(3) 0.034(3) 0.020(3) 0.000(2) 0.000(2) -0.012(3) O2 0.013(4) 0.025(3) 0.025(3) 0.000 0.000 0.000 N1 0.0141(19) 0.0141(19) 0.012(3) 0.0005(19) 0.0005(19) -0.005(2) N2 0.0130(19) 0.0130(19) 0.010(3) 0.0004(19) 0.0004(19) 0.005(3) N3 0.017(2) 0.017(2) 0.033(5) 0.013(3) -0.013(3) -0.002(3) _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 Ce1 O2 2.4584(11) 30 ? Ce1 O2 2.4584(11) . ? Ce1 N1 2.562(9) 26_554 ? Ce1 O1 2.584(9) 26_554 ? Ce1 N2 2.651(9) . ? Ce1 N1 2.973(5) 28 ? Ce1 N1 2.973(5) 27 ? Ce1 O1 3.060(3) 9 ? Ce1 O1 3.060(3) 5 ? Ce1 N3 3.126(12) 28_455 ? Ce1 Si2 3.170(4) 34 ? Ce1 Si1 3.230(4) 26_554 ? Sr1 O2 2.495(10) 30 ? Sr1 O2 2.495(10) . ? Sr1 N2 2.63(3) . ? Sr1 N1 2.68(3) 26_554 ? Sr1 O1 2.69(3) 26_554 ? Sr1 N1 2.93(3) 28 ? Sr1 N1 2.93(3) 27 ? Sr1 O1 2.97(2) 9 ? Sr1 O1 2.97(2) 5 ? Sr1 N3 3.01(3) 28_455 ? Sr1 Si2 3.09(3) 34 ? Sr1 Si1 3.29(3) 9 ? Sr2 N3 3.392(11) 12_554 ? Sr2 N3 3.392(11) 8_545 ? Sr2 N3 3.392(11) 4_455 ? Sr2 N3 3.392(11) 10_556 ? Sr2 N3 3.392(11) 9_554 ? Sr2 N3 3.392(11) 6_565 ? Sr2 N3 3.392(11) 5_545 ? Sr2 N3 3.392(11) 2_655 ? Sr2 N3 3.392(11) 1_455 ? Sr2 N3 3.392(11) 11_556 ? Sr2 N3 3.392(11) 7_565 ? Sr2 N3 3.392(11) 3_655 ? Si1 O1 1.682(8) . ? Si1 N1 1.725(7) . ? Si1 N2 1.765(4) 9 ? Si1 N2 1.765(4) 5 ? Si1 Ce1 3.230(4) 26 ? Si1 Sr1 3.29(3) 9 ? Si1 Sr1 3.29(3) 5 ? Si1 Ce1 3.342(3) 5 ? Si1 Ce1 3.342(3) 9 ? Si1 Sr1 3.36(3) 26 ? Si1 Sr1 4.14(2) 28_455 ? Si1 Sr1 4.14(2) 27_545 ? Si2 N1 1.702(8) 6 ? Si2 N1 1.702(8) 5 ? Si2 N3 1.745(8) 6_565 ? Si2 N3 1.745(8) 5_545 ? Si2 Sr1 3.09(3) 32_545 ? Si2 Sr1 3.09(3) 31_554 ? Si2 Ce1 3.170(4) 31_554 ? Si2 Ce1 3.170(4) 32_545 ? Si2 Ce1 4.142(4) 30 ? Si2 Ce1 4.142(4) 29_544 ? Si2 Sr1 4.24(3) 30 ? Al1 O1 1.708(8) 26 ? Al1 N2 1.784(8) 1_556 ? Al1 N3 1.795(4) 9 ? Al1 N3 1.795(4) 6_566 ? Al1 Ce1 3.374(4) 1_556 ? Al1 Sr1 3.43(3) 1_556 ? Al1 Sr1 3.50(3) 36 ? Al1 Sr1 3.50(3) 31 ? Al1 Ce1 3.612(4) 36 ? Al1 Ce1 3.612(4) 31 ? Al1 Sr2 3.934(2) 1_556 ? O1 Al1 1.708(8) 26_554 ? O1 Ce1 2.584(9) 26 ? O1 Sr1 2.69(3) 26 ? O1 Sr1 2.97(3) 9 ? O1 Sr1 2.97(2) 5 ? O1 Ce1 3.060(3) 5 ? O1 Ce1 3.060(3) 9 ? O2 Ce1 2.4584(11) 36_554 ? O2 Ce1 2.4584(11) 4_565 ? O2 Ce1 2.4584(11) 34 ? O2 Sr1 2.495(10) 36_554 ? O2 Sr1 2.495(10) 34 ? O2 Sr1 2.495(10) 4_565 ? N1 Si2 1.702(8) 9 ? N1 Ce1 2.562(9) 26 ? N1 Sr1 2.68(3) 26 ? N1 Sr1 2.93(3) 28_455 ? N1 Sr1 2.93(3) 27_545 ? N1 Ce1 2.973(5) 27_545 ? N1 Ce1 2.973(5) 28_455 ? N1 Sr1 4.00(2) 9 ? N1 Sr1 4.00(2) 5 ? N1 Ce1 4.008(5) 9 ? N1 Ce1 4.008(5) 5 ? N2 Si1 1.765(4) 9 ? N2 Si1 1.765(4) 5 ? N2 Al1 1.784(8) 1_554 ? N3 Si2 1.745(8) 9_655 ? N3 Al1 1.795(4) 5 ? N3 Al1 1.795(4) 12_665 ? N3 Sr1 3.01(3) 28 ? N3 Ce1 3.126(12) 28 ? N3 Sr2 3.392(11) 1_655 ? 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 O2 Ce1 O2 148.42(16) 30 . ? O2 Ce1 N1 75.00(8) 30 26_554 ? O2 Ce1 N1 75.00(8) . 26_554 ? O2 Ce1 O1 78.97(9) 30 26_554 ? O2 Ce1 O1 78.97(9) . 26_554 ? N1 Ce1 O1 63.3(2) 26_554 26_554 ? O2 Ce1 N2 94.48(7) 30 . ? O2 Ce1 N2 94.48(7) . . ? N1 Ce1 N2 124.6(2) 26_554 . ? O1 Ce1 N2 61.4(2) 26_554 . ? O2 Ce1 N1 67.75(14) 30 28 ? O2 Ce1 N1 120.19(14) . 28 ? N1 Ce1 N1 87.3(3) 26_554 28 ? O1 Ce1 N1 140.5(2) 26_554 28 ? N2 Ce1 N1 139.23(19) . 28 ? O2 Ce1 N1 120.19(14) 30 27 ? O2 Ce1 N1 67.75(14) . 27 ? N1 Ce1 N1 87.3(3) 26_554 27 ? O1 Ce1 N1 140.5(2) 26_554 27 ? N2 Ce1 N1 139.23(19) . 27 ? N1 Ce1 N1 54.5(2) 28 27 ? O2 Ce1 O1 139.03(18) 30 9 ? O2 Ce1 O1 70.12(15) . 9 ? N1 Ce1 O1 145.11(15) 26_554 9 ? O1 Ce1 O1 108.47(7) 26_554 9 ? N2 Ce1 O1 59.07(19) . 9 ? N1 Ce1 O1 110.6(2) 28 9 ? N1 Ce1 O1 80.2(2) 27 9 ? O2 Ce1 O1 70.12(15) 30 5 ? O2 Ce1 O1 139.03(18) . 5 ? N1 Ce1 O1 145.11(15) 26_554 5 ? O1 Ce1 O1 108.47(7) 26_554 5 ? N2 Ce1 O1 59.07(19) . 5 ? N1 Ce1 O1 80.2(2) 28 5 ? N1 Ce1 O1 110.6(2) 27 5 ? O1 Ce1 O1 69.4(3) 9 5 ? O2 Ce1 N3 104.21(8) 30 28_455 ? O2 Ce1 N3 104.21(8) . 28_455 ? N1 Ce1 N3 136.5(2) 26_554 28_455 ? O1 Ce1 N3 160.3(3) 26_554 28_455 ? N2 Ce1 N3 98.9(2) . 28_455 ? N1 Ce1 N3 54.76(19) 28 28_455 ? N1 Ce1 N3 54.76(19) 27 28_455 ? O1 Ce1 N3 56.32(19) 9 28_455 ? O1 Ce1 N3 56.32(19) 5 28_455 ? O2 Ce1 Si2 98.35(6) 30 34 ? O2 Ce1 Si2 98.35(6) . 34 ? N1 Ce1 Si2 104.30(19) 26_554 34 ? O1 Ce1 Si2 167.6(2) 26_554 34 ? N2 Ce1 Si2 131.1(2) . 34 ? N1 Ce1 Si2 31.96(15) 28 34 ? N1 Ce1 Si2 31.96(15) 27 34 ? O1 Ce1 Si2 81.59(17) 9 34 ? O1 Ce1 Si2 81.59(17) 5 34 ? N3 Ce1 Si2 32.17(16) 28_455 34 ? O2 Ce1 Si1 74.70(8) 30 26_554 ? O2 Ce1 Si1 74.70(8) . 26_554 ? N1 Ce1 Si1 32.09(16) 26_554 26_554 ? O1 Ce1 Si1 31.18(19) 26_554 26_554 ? N2 Ce1 Si1 92.53(18) . 26_554 ? N1 Ce1 Si1 115.56(18) 28 26_554 ? N1 Ce1 Si1 115.56(17) 27 26_554 ? O1 Ce1 Si1 131.60(16) 9 26_554 ? O1 Ce1 Si1 131.60(16) 5 26_554 ? N3 Ce1 Si1 168.56(18) 28_455 26_554 ? Si2 Ce1 Si1 136.40(11) 34 26_554 ? O2 Sr1 O2 142.9(14) 30 . ? O2 Sr1 N2 94.0(7) 30 . ? O2 Sr1 N2 94.0(7) . . ? O2 Sr1 N1 72.4(7) 30 26_554 ? O2 Sr1 N1 72.4(7) . 26_554 ? N2 Sr1 N1 120.7(12) . 26_554 ? O2 Sr1 O1 76.4(7) 30 26_554 ? O2 Sr1 O1 76.4(7) . 26_554 ? N2 Sr1 O1 60.3(7) . 26_554 ? N1 Sr1 O1 60.5(7) 26_554 26_554 ? O2 Sr1 N1 68.0(4) 30 28 ? O2 Sr1 N1 120.4(9) . 28 ? N2 Sr1 N1 142.6(9) . 28 ? N1 Sr1 N1 86.0(8) 26_554 28 ? O1 Sr1 N1 137.2(9) 26_554 28 ? O2 Sr1 N1 120.4(9) 30 27 ? O2 Sr1 N1 68.0(4) . 27 ? N2 Sr1 N1 142.6(9) . 27 ? N1 Sr1 N1 86.0(8) 26_554 27 ? O1 Sr1 N1 137.2(9) 26_554 27 ? N1 Sr1 N1 55.3(6) 28 27 ? O2 Sr1 O1 142.2(10) 30 9 ? O2 Sr1 O1 71.3(4) . 9 ? N2 Sr1 O1 60.5(6) . 9 ? N1 Sr1 O1 143.6(4) 26_554 9 ? O1 Sr1 O1 108.3(8) 26_554 9 ? N1 Sr1 O1 114.3(10) 28 9 ? N1 Sr1 O1 82.4(6) 27 9 ? O2 Sr1 O1 71.3(4) 30 5 ? O2 Sr1 O1 142.2(10) . 5 ? N2 Sr1 O1 60.5(6) . 5 ? N1 Sr1 O1 143.6(4) 26_554 5 ? O1 Sr1 O1 108.3(8) 26_554 5 ? N1 Sr1 O1 82.4(6) 28 5 ? N1 Sr1 O1 114.3(10) 27 5 ? O1 Sr1 O1 71.8(8) 9 5 ? O2 Sr1 N3 106.8(7) 30 28_455 ? O2 Sr1 N3 106.8(7) . 28_455 ? N2 Sr1 N3 102.4(10) . 28_455 ? N1 Sr1 N3 136.9(11) 26_554 28_455 ? O1 Sr1 N3 162.6(12) 26_554 28_455 ? N1 Sr1 N3 56.4(6) 28 28_455 ? N1 Sr1 N3 56.4(6) 27 28_455 ? O1 Sr1 N3 58.5(6) 9 28_455 ? O1 Sr1 N3 58.5(6) 5 28_455 ? O2 Sr1 Si2 99.6(7) 30 34 ? O2 Sr1 Si2 99.6(7) . 34 ? N2 Sr1 Si2 135.6(12) . 34 ? N1 Sr1 Si2 103.7(9) 26_554 34 ? O1 Sr1 Si2 164.1(12) 26_554 34 ? N1 Sr1 Si2 32.7(3) 28 34 ? N1 Sr1 Si2 32.7(3) 27 34 ? O1 Sr1 Si2 84.4(8) 9 34 ? O1 Sr1 Si2 84.4(8) 5 34 ? N3 Sr1 Si2 33.2(4) 28_455 34 ? O2 Sr1 Si1 125.4(9) 30 9 ? O2 Sr1 Si1 73.1(4) . 9 ? N2 Sr1 Si1 32.3(3) . 9 ? N1 Sr1 Si1 131.8(9) 26_554 9 ? O1 Sr1 Si1 79.5(7) 26_554 9 ? N1 Sr1 Si1 141.1(11) 28 9 ? N1 Sr1 Si1 110.6(6) 27 9 ? O1 Sr1 Si1 30.6(3) 9 9 ? O1 Sr1 Si1 71.2(6) 5 9 ? N3 Sr1 Si1 85.1(7) 28_455 9 ? Si2 Sr1 Si1 114.4(9) 34 9 ? N3 Sr2 N3 50.0(2) 12_554 8_545 ? N3 Sr2 N3 50.0(2) 12_554 4_455 ? N3 Sr2 N3 50.0(2) 8_545 4_455 ? N3 Sr2 N3 144.52(18) 12_554 10_556 ? N3 Sr2 N3 95.33(5) 8_545 10_556 ? N3 Sr2 N3 117.20(7) 4_455 10_556 ? N3 Sr2 N3 144.52(18) 12_554 9_554 ? N3 Sr2 N3 117.20(7) 8_545 9_554 ? N3 Sr2 N3 95.33(5) 4_455 9_554 ? N3 Sr2 N3 51.0(3) 10_556 9_554 ? N3 Sr2 N3 117.20(7) 12_554 6_565 ? N3 Sr2 N3 144.52(18) 8_545 6_565 ? N3 Sr2 N3 95.33(5) 4_455 6_565 ? N3 Sr2 N3 95.33(5) 10_556 6_565 ? N3 Sr2 N3 50.0(2) 9_554 6_565 ? N3 Sr2 N3 95.33(5) 12_554 5_545 ? N3 Sr2 N3 144.52(18) 8_545 5_545 ? N3 Sr2 N3 117.20(7) 4_455 5_545 ? N3 Sr2 N3 117.20(7) 10_556 5_545 ? N3 Sr2 N3 95.33(5) 9_554 5_545 ? N3 Sr2 N3 51.0(3) 6_565 5_545 ? N3 Sr2 N3 95.33(5) 12_554 2_655 ? N3 Sr2 N3 117.20(7) 8_545 2_655 ? N3 Sr2 N3 144.52(18) 4_455 2_655 ? N3 Sr2 N3 95.33(5) 10_556 2_655 ? N3 Sr2 N3 117.20(7) 9_554 2_655 ? N3 Sr2 N3 95.33(5) 6_565 2_655 ? N3 Sr2 N3 50.0(2) 5_545 2_655 ? N3 Sr2 N3 117.20(7) 12_554 1_455 ? N3 Sr2 N3 95.33(5) 8_545 1_455 ? N3 Sr2 N3 144.52(18) 4_455 1_455 ? N3 Sr2 N3 50.0(2) 10_556 1_455 ? N3 Sr2 N3 95.33(5) 9_554 1_455 ? N3 Sr2 N3 117.20(7) 6_565 1_455 ? N3 Sr2 N3 95.33(5) 5_545 1_455 ? N3 Sr2 N3 51.0(3) 2_655 1_455 ? N3 Sr2 N3 51.0(3) 12_554 11_556 ? N3 Sr2 N3 95.33(5) 8_545 11_556 ? N3 Sr2 N3 95.33(5) 4_455 11_556 ? N3 Sr2 N3 144.52(18) 10_556 11_556 ? N3 Sr2 N3 144.52(18) 9_554 11_556 ? N3 Sr2 N3 95.33(5) 6_565 11_556 ? N3 Sr2 N3 50.0(2) 5_545 11_556 ? N3 Sr2 N3 50.0(2) 2_655 11_556 ? N3 Sr2 N3 95.33(5) 1_455 11_556 ? N3 Sr2 N3 95.33(5) 12_554 7_565 ? N3 Sr2 N3 51.0(3) 8_545 7_565 ? N3 Sr2 N3 95.33(5) 4_455 7_565 ? N3 Sr2 N3 50.0(2) 10_556 7_565 ? N3 Sr2 N3 95.33(5) 9_554 7_565 ? N3 Sr2 N3 144.52(18) 6_565 7_565 ? N3 Sr2 N3 144.52(18) 5_545 7_565 ? N3 Sr2 N3 95.33(5) 2_655 7_565 ? N3 Sr2 N3 50.0(2) 1_455 7_565 ? N3 Sr2 N3 117.20(7) 11_556 7_565 ? N3 Sr2 N3 95.33(5) 12_554 3_655 ? N3 Sr2 N3 95.33(5) 8_545 3_655 ? N3 Sr2 N3 51.0(3) 4_455 3_655 ? N3 Sr2 N3 95.33(5) 10_556 3_655 ? N3 Sr2 N3 50.0(2) 9_554 3_655 ? N3 Sr2 N3 50.0(2) 6_565 3_655 ? N3 Sr2 N3 95.33(5) 5_545 3_655 ? N3 Sr2 N3 144.52(18) 2_655 3_655 ? N3 Sr2 N3 144.52(18) 1_455 3_655 ? N3 Sr2 N3 117.20(7) 11_556 3_655 ? N3 Sr2 N3 117.20(7) 7_565 3_655 ? O1 Si1 N1 104.8(4) . . ? O1 Si1 N2 110.8(3) . 9 ? N1 Si1 N2 111.6(3) . 9 ? O1 Si1 N2 110.8(3) . 5 ? N1 Si1 N2 111.6(3) . 5 ? N2 Si1 N2 107.2(5) 9 5 ? O1 Si1 Ce1 52.7(3) . 26 ? N1 Si1 Ce1 52.1(3) . 26 ? N2 Si1 Ce1 126.4(3) 9 26 ? N2 Si1 Ce1 126.4(3) 5 26 ? O1 Si1 Sr1 64.0(5) . 9 ? N1 Si1 Sr1 101.1(4) . 9 ? N2 Si1 Sr1 52.8(4) 9 9 ? N2 Si1 Sr1 146.8(4) 5 9 ? Ce1 Si1 Sr1 78.5(3) 26 9 ? O1 Si1 Sr1 64.0(5) . 5 ? N1 Si1 Sr1 101.1(4) . 5 ? N2 Si1 Sr1 146.8(4) 9 5 ? N2 Si1 Sr1 52.8(4) 5 5 ? Ce1 Si1 Sr1 78.5(3) 26 5 ? Sr1 Si1 Sr1 127.0(11) 9 5 ? O1 Si1 Ce1 65.65(7) . 5 ? N1 Si1 Ce1 99.59(12) . 5 ? N2 Si1 Ce1 148.0(2) 9 5 ? N2 Si1 Ce1 52.0(3) 5 5 ? Ce1 Si1 Ce1 78.49(4) 26 5 ? Sr1 Si1 Ce1 128.9(5) 9 5 ? Sr1 Si1 Ce1 2.0(6) 5 5 ? O1 Si1 Ce1 65.65(7) . 9 ? N1 Si1 Ce1 99.59(12) . 9 ? N2 Si1 Ce1 52.0(3) 9 9 ? N2 Si1 Ce1 148.0(2) 5 9 ? Ce1 Si1 Ce1 78.49(4) 26 9 ? Sr1 Si1 Ce1 2.0(6) 9 9 ? Sr1 Si1 Ce1 128.9(5) 5 9 ? Ce1 Si1 Ce1 130.68(13) 5 9 ? O1 Si1 Sr1 52.4(5) . 26 ? N1 Si1 Sr1 52.3(5) . 26 ? N2 Si1 Sr1 126.4(3) 9 26 ? N2 Si1 Sr1 126.4(3) 5 26 ? Ce1 Si1 Sr1 0.2(5) 26 26 ? Sr1 Si1 Sr1 78.40(7) 9 26 ? Sr1 Si1 Sr1 78.40(7) 5 26 ? Ce1 Si1 Sr1 78.4(2) 5 26 ? Ce1 Si1 Sr1 78.4(2) 9 26 ? O1 Si1 Sr1 101.3(4) . 28_455 ? N1 Si1 Sr1 36.3(3) . 28_455 ? N2 Si1 Sr1 141.1(4) 9 28_455 ? N2 Si1 Sr1 80.0(5) 5 28_455 ? Ce1 Si1 Sr1 59.8(4) 26 28_455 ? Sr1 Si1 Sr1 132.9(7) 9 28_455 ? Sr1 Si1 Sr1 67.8(6) 5 28_455 ? Ce1 Si1 Sr1 66.0(3) 5 28_455 ? Ce1 Si1 Sr1 131.9(4) 9 28_455 ? Sr1 Si1 Sr1 59.9(6) 26 28_455 ? O1 Si1 Sr1 101.3(4) . 27_545 ? N1 Si1 Sr1 36.3(3) . 27_545 ? N2 Si1 Sr1 80.0(5) 9 27_545 ? N2 Si1 Sr1 141.1(4) 5 27_545 ? Ce1 Si1 Sr1 59.8(4) 26 27_545 ? Sr1 Si1 Sr1 67.8(6) 9 27_545 ? Sr1 Si1 Sr1 132.9(7) 5 27_545 ? Ce1 Si1 Sr1 131.9(4) 5 27_545 ? Ce1 Si1 Sr1 66.0(3) 9 27_545 ? Sr1 Si1 Sr1 59.9(6) 26 27_545 ? Sr1 Si1 Sr1 72.5(7) 28_455 27_545 ? N1 Si2 N1 106.3(5) 6 5 ? N1 Si2 N3 109.1(2) 6 6_565 ? N1 Si2 N3 109.1(2) 5 6_565 ? N1 Si2 N3 109.1(2) 6 5_545 ? N1 Si2 N3 109.1(2) 5 5_545 ? N3 Si2 N3 113.8(8) 6_565 5_545 ? N1 Si2 Sr1 68.5(3) 6 32_545 ? N1 Si2 Sr1 68.5(3) 5 32_545 ? N3 Si2 Sr1 175.5(7) 6_565 32_545 ? N3 Si2 Sr1 70.7(7) 5_545 32_545 ? N1 Si2 Sr1 68.5(3) 6 31_554 ? N1 Si2 Sr1 68.5(3) 5 31_554 ? N3 Si2 Sr1 70.7(7) 6_565 31_554 ? N3 Si2 Sr1 175.5(7) 5_545 31_554 ? Sr1 Si2 Sr1 104.8(11) 32_545 31_554 ? N1 Si2 Ce1 67.61(16) 6 31_554 ? N1 Si2 Ce1 67.61(16) 5 31_554 ? N3 Si2 Ce1 72.5(4) 6_565 31_554 ? N3 Si2 Ce1 173.7(4) 5_545 31_554 ? Sr1 Si2 Ce1 103.0(5) 32_545 31_554 ? Sr1 Si2 Ce1 1.8(6) 31_554 31_554 ? N1 Si2 Ce1 67.61(16) 6 32_545 ? N1 Si2 Ce1 67.61(16) 5 32_545 ? N3 Si2 Ce1 173.7(4) 6_565 32_545 ? N3 Si2 Ce1 72.5(4) 5_545 32_545 ? Sr1 Si2 Ce1 1.8(6) 32_545 32_545 ? Sr1 Si2 Ce1 103.0(5) 31_554 32_545 ? Ce1 Si2 Ce1 101.16(15) 31_554 32_545 ? N1 Si2 Sr2 126.9(3) 6 . ? N1 Si2 Sr2 126.9(3) 5 . ? N3 Si2 Sr2 56.9(4) 6_565 . ? N3 Si2 Sr2 56.9(4) 5_545 . ? Sr1 Si2 Sr2 127.6(6) 32_545 . ? Sr1 Si2 Sr2 127.6(6) 31_554 . ? Ce1 Si2 Sr2 129.42(7) 31_554 . ? Ce1 Si2 Sr2 129.42(7) 32_545 . ? N1 Si2 Ce1 89.4(3) 6 30 ? N1 Si2 Ce1 16.9(3) 5 30 ? N3 Si2 Ce1 116.1(3) 6_565 30 ? N3 Si2 Ce1 116.1(3) 5_545 30 ? Sr1 Si2 Ce1 60.5(4) 32_545 30 ? Sr1 Si2 Ce1 60.5(4) 31_554 30 ? Ce1 Si2 Ce1 59.20(6) 31_554 30 ? Ce1 Si2 Ce1 59.20(6) 32_545 30 ? Sr2 Si2 Ce1 143.75(5) . 30 ? N1 Si2 Ce1 16.9(3) 6 29_544 ? N1 Si2 Ce1 89.4(3) 5 29_544 ? N3 Si2 Ce1 116.1(3) 6_565 29_544 ? N3 Si2 Ce1 116.1(3) 5_545 29_544 ? Sr1 Si2 Ce1 60.5(4) 32_545 29_544 ? Sr1 Si2 Ce1 60.5(4) 31_554 29_544 ? Ce1 Si2 Ce1 59.20(6) 31_554 29_544 ? Ce1 Si2 Ce1 59.20(6) 32_545 29_544 ? Sr2 Si2 Ce1 143.75(5) . 29_544 ? Ce1 Si2 Ce1 72.49(10) 30 29_544 ? N1 Si2 Sr1 88.4(5) 6 30 ? N1 Si2 Sr1 17.9(5) 5 30 ? N3 Si2 Sr1 116.5(3) 6_565 30 ? N3 Si2 Sr1 116.5(3) 5_545 30 ? Sr1 Si2 Sr1 60.1(4) 32_545 30 ? Sr1 Si2 Sr1 60.1(4) 31_554 30 ? Ce1 Si2 Sr1 58.75(19) 31_554 30 ? Ce1 Si2 Sr1 58.75(19) 32_545 30 ? Sr2 Si2 Sr1 144.8(4) . 30 ? Ce1 Si2 Sr1 1.0(4) 30 30 ? Ce1 Si2 Sr1 71.5(4) 29_544 30 ? O1 Al1 N2 99.8(4) 26 1_556 ? O1 Al1 N3 112.9(4) 26 9 ? N2 Al1 N3 112.7(3) 1_556 9 ? O1 Al1 N3 112.9(4) 26 6_566 ? N2 Al1 N3 112.7(3) 1_556 6_566 ? N3 Al1 N3 106.0(6) 9 6_566 ? O1 Al1 Ce1 48.6(3) 26 1_556 ? N2 Al1 Ce1 51.2(3) 1_556 1_556 ? N3 Al1 Ce1 127.0(3) 9 1_556 ? N3 Al1 Ce1 127.0(3) 6_566 1_556 ? O1 Al1 Sr1 50.5(6) 26 1_556 ? N2 Al1 Sr1 49.3(6) 1_556 1_556 ? N3 Al1 Sr1 127.0(3) 9 1_556 ? N3 Al1 Sr1 127.0(3) 6_566 1_556 ? Ce1 Al1 Sr1 2.0(6) 1_556 1_556 ? O1 Al1 Sr1 58.0(4) 26 36 ? N2 Al1 Sr1 100.6(3) 1_556 36 ? N3 Al1 Sr1 59.3(5) 9 36 ? N3 Al1 Sr1 146.7(4) 6_566 36 ? Ce1 Al1 Sr1 73.8(2) 1_556 36 ? Sr1 Al1 Sr1 74.8(5) 1_556 36 ? O1 Al1 Sr1 58.0(4) 26 31 ? N2 Al1 Sr1 100.6(3) 1_556 31 ? N3 Al1 Sr1 146.7(4) 9 31 ? N3 Al1 Sr1 59.3(5) 6_566 31 ? Ce1 Al1 Sr1 73.8(2) 1_556 31 ? Sr1 Al1 Sr1 74.8(5) 1_556 31 ? Sr1 Al1 Sr1 114.9(9) 36 31 ? O1 Al1 Ce1 57.65(5) 26 36 ? N2 Al1 Ce1 99.87(15) 1_556 36 ? N3 Al1 Ce1 59.9(4) 9 36 ? N3 Al1 Ce1 147.4(2) 6_566 36 ? Ce1 Al1 Ce1 72.97(6) 1_556 36 ? Sr1 Al1 Ce1 73.9(2) 1_556 36 ? Sr1 Al1 Ce1 0.9(3) 36 36 ? Sr1 Al1 Ce1 114.7(4) 31 36 ? O1 Al1 Ce1 57.65(5) 26 31 ? N2 Al1 Ce1 99.87(15) 1_556 31 ? N3 Al1 Ce1 147.4(2) 9 31 ? N3 Al1 Ce1 59.9(4) 6_566 31 ? Ce1 Al1 Ce1 72.97(6) 1_556 31 ? Sr1 Al1 Ce1 73.9(2) 1_556 31 ? Sr1 Al1 Ce1 114.7(4) 36 31 ? Sr1 Al1 Ce1 0.9(3) 31 31 ? Ce1 Al1 Ce1 114.46(9) 36 31 ? O1 Al1 Sr2 162.4(3) 26 1_556 ? N2 Al1 Sr2 97.8(3) 1_556 1_556 ? N3 Al1 Sr2 59.4(4) 9 1_556 ? N3 Al1 Sr2 59.4(4) 6_566 1_556 ? Ce1 Al1 Sr2 149.00(10) 1_556 1_556 ? Sr1 Al1 Sr2 147.0(5) 1_556 1_556 ? Sr1 Al1 Sr2 118.4(4) 36 1_556 ? Sr1 Al1 Sr2 118.4(4) 31 1_556 ? Ce1 Al1 Sr2 119.04(5) 36 1_556 ? Ce1 Al1 Sr2 119.04(5) 31 1_556 ? Si1 O1 Al1 162.2(5) . 26_554 ? Si1 O1 Ce1 96.1(3) . 26 ? Al1 O1 Ce1 101.7(4) 26_554 26 ? Si1 O1 Sr1 97.8(7) . 26 ? Al1 O1 Sr1 100.1(7) 26_554 26 ? Ce1 O1 Sr1 1.6(7) 26 26 ? Si1 O1 Sr1 85.4(6) . 9 ? Al1 O1 Sr1 92.8(6) 26_554 9 ? Ce1 O1 Sr1 95.8(4) 26 9 ? Sr1 O1 Sr1 95.9(4) 26 9 ? Si1 O1 Sr1 85.4(6) . 5 ? Al1 O1 Sr1 92.8(6) 26_554 5 ? Ce1 O1 Sr1 95.8(4) 26 5 ? Sr1 O1 Sr1 95.9(4) 26 5 ? Sr1 O1 Sr1 165.9(8) 9 5 ? Si1 O1 Ce1 84.30(16) . 5 ? Al1 O1 Ce1 94.20(16) 26_554 5 ? Ce1 O1 Ce1 94.55(15) 26 5 ? Sr1 O1 Ce1 94.70(15) 26 5 ? Sr1 O1 Ce1 166.1(5) 9 5 ? Sr1 O1 Ce1 1.7(5) 5 5 ? Si1 O1 Ce1 84.30(16) . 9 ? Al1 O1 Ce1 94.20(16) 26_554 9 ? Ce1 O1 Ce1 94.56(15) 26 9 ? Sr1 O1 Ce1 94.70(15) 26 9 ? Sr1 O1 Ce1 1.7(5) 9 9 ? Sr1 O1 Ce1 166.1(5) 5 9 ? Ce1 O1 Ce1 166.1(3) 5 9 ? Ce1 O2 Ce1 115.52(6) 36_554 4_565 ? Ce1 O2 Ce1 97.95(11) 36_554 34 ? Ce1 O2 Ce1 115.52(6) 4_565 34 ? Ce1 O2 Ce1 115.52(6) 36_554 . ? Ce1 O2 Ce1 97.95(11) 4_565 . ? Ce1 O2 Ce1 115.52(6) 34 . ? Ce1 O2 Sr1 2.8(8) 36_554 36_554 ? Ce1 O2 Sr1 117.4(7) 4_565 36_554 ? Ce1 O2 Sr1 98.6(6) 34 36_554 ? Ce1 O2 Sr1 112.9(7) . 36_554 ? Ce1 O2 Sr1 98.6(6) 36_554 34 ? Ce1 O2 Sr1 112.9(7) 4_565 34 ? Ce1 O2 Sr1 2.8(8) 34 34 ? Ce1 O2 Sr1 117.4(7) . 34 ? Sr1 O2 Sr1 99.4(13) 36_554 34 ? Ce1 O2 Sr1 117.4(7) 36_554 . ? Ce1 O2 Sr1 98.6(6) 4_565 . ? Ce1 O2 Sr1 112.9(7) 34 . ? Ce1 O2 Sr1 2.8(8) . . ? Sr1 O2 Sr1 114.7(7) 36_554 . ? Sr1 O2 Sr1 114.7(7) 34 . ? Ce1 O2 Sr1 112.9(7) 36_554 4_565 ? Ce1 O2 Sr1 2.8(8) 4_565 4_565 ? Ce1 O2 Sr1 117.4(7) 34 4_565 ? Ce1 O2 Sr1 98.6(6) . 4_565 ? Sr1 O2 Sr1 114.7(7) 36_554 4_565 ? Sr1 O2 Sr1 114.7(7) 34 4_565 ? Sr1 O2 Sr1 99.4(13) . 4_565 ? Si2 N1 Si1 112.2(5) 9 . ? Si2 N1 Ce1 152.0(4) 9 26 ? Si1 N1 Ce1 95.8(3) . 26 ? Si2 N1 Sr1 150.8(7) 9 26 ? Si1 N1 Sr1 97.0(7) . 26 ? Ce1 N1 Sr1 1.2(7) 26 26 ? Si2 N1 Sr1 78.8(5) 9 28_455 ? Si1 N1 Sr1 123.4(4) . 28_455 ? Ce1 N1 Sr1 86.0(6) 26 28_455 ? Sr1 N1 Sr1 85.3(5) 26 28_455 ? Si2 N1 Sr1 78.8(5) 9 27_545 ? Si1 N1 Sr1 123.4(4) . 27_545 ? Ce1 N1 Sr1 86.0(6) 26 27_545 ? Sr1 N1 Sr1 85.3(5) 26 27_545 ? Sr1 N1 Sr1 113.2(8) 28_455 27_545 ? Si2 N1 Ce1 80.43(18) 9 27_545 ? Si1 N1 Ce1 124.37(12) . 27_545 ? Ce1 N1 Ce1 83.81(19) 26 27_545 ? Sr1 N1 Ce1 83.2(4) 26 27_545 ? Sr1 N1 Ce1 112.1(4) 28_455 27_545 ? Sr1 N1 Ce1 2.3(7) 27_545 27_545 ? Si2 N1 Ce1 80.43(18) 9 28_455 ? Si1 N1 Ce1 124.37(12) . 28_455 ? Ce1 N1 Ce1 83.81(19) 26 28_455 ? Sr1 N1 Ce1 83.2(4) 26 28_455 ? Sr1 N1 Ce1 2.3(7) 28_455 28_455 ? Sr1 N1 Ce1 112.1(4) 27_545 28_455 ? Ce1 N1 Ce1 110.9(3) 27_545 28_455 ? Si2 N1 Sr1 122.0(4) 9 9 ? Si1 N1 Sr1 53.9(4) . 9 ? Ce1 N1 Sr1 74.3(4) 26 9 ? Sr1 N1 Sr1 75.10(15) 26 9 ? Sr1 N1 Sr1 159.2(3) 28_455 9 ? Sr1 N1 Sr1 72.8(4) 27_545 9 ? Ce1 N1 Sr1 73.1(5) 27_545 9 ? Ce1 N1 Sr1 157.4(5) 28_455 9 ? Si2 N1 Sr1 122.0(4) 9 5 ? Si1 N1 Sr1 53.9(4) . 5 ? Ce1 N1 Sr1 74.3(4) 26 5 ? Sr1 N1 Sr1 75.10(15) 26 5 ? Sr1 N1 Sr1 72.8(4) 28_455 5 ? Sr1 N1 Sr1 159.2(3) 27_545 5 ? Ce1 N1 Sr1 157.4(5) 27_545 5 ? Ce1 N1 Sr1 73.1(5) 28_455 5 ? Sr1 N1 Sr1 94.9(9) 9 5 ? Si2 N1 Ce1 120.70(19) 9 9 ? Si1 N1 Ce1 55.30(12) . 9 ? Ce1 N1 Ce1 74.95(13) 26 9 ? Sr1 N1 Ce1 75.7(4) 26 9 ? Sr1 N1 Ce1 160.2(6) 28_455 9 ? Sr1 N1 Ce1 71.1(3) 27_545 9 ? Ce1 N1 Ce1 71.38(6) 27_545 9 ? Ce1 N1 Ce1 158.3(3) 28_455 9 ? Sr1 N1 Ce1 1.8(5) 9 9 ? Sr1 N1 Ce1 96.7(4) 5 9 ? Si2 N1 Ce1 120.70(19) 9 5 ? Si1 N1 Ce1 55.30(12) . 5 ? Ce1 N1 Ce1 74.95(13) 26 5 ? Sr1 N1 Ce1 75.7(4) 26 5 ? Sr1 N1 Ce1 71.1(3) 28_455 5 ? Sr1 N1 Ce1 160.2(6) 27_545 5 ? Ce1 N1 Ce1 158.3(3) 27_545 5 ? Ce1 N1 Ce1 71.38(6) 28_455 5 ? Sr1 N1 Ce1 96.7(4) 9 5 ? Sr1 N1 Ce1 1.8(5) 5 5 ? Ce1 N1 Ce1 98.54(19) 9 5 ? Si1 N2 Si1 118.0(4) 9 5 ? Si1 N2 Al1 119.0(2) 9 1_554 ? Si1 N2 Al1 119.0(2) 5 1_554 ? Si1 N2 Sr1 94.9(5) 9 . ? Si1 N2 Sr1 94.9(5) 5 . ? Al1 N2 Sr1 99.9(8) 1_554 . ? Si1 N2 Ce1 96.3(3) 9 . ? Si1 N2 Ce1 96.3(3) 5 . ? Al1 N2 Ce1 97.1(3) 1_554 . ? Sr1 N2 Ce1 2.7(8) . . ? Si2 N3 Al1 121.4(2) 9_655 5 ? Si2 N3 Al1 121.4(2) 9_655 12_665 ? Al1 N3 Al1 115.1(5) 5 12_665 ? Si2 N3 Sr1 76.0(7) 9_655 28 ? Al1 N3 Sr1 89.9(5) 5 28 ? Al1 N3 Sr1 89.9(5) 12_665 28 ? Si2 N3 Ce1 75.3(4) 9_655 28 ? Al1 N3 Ce1 90.3(4) 5 28 ? Al1 N3 Ce1 90.3(4) 12_665 28 ? Sr1 N3 Ce1 0.7(6) 28 28 ? Si2 N3 Sr2 97.6(4) 9_655 1_655 ? Al1 N3 Sr2 93.5(4) 5 1_655 ? Al1 N3 Sr2 93.5(4) 12_665 1_655 ? Sr1 N3 Sr2 173.6(6) 28 1_655 ? Ce1 N3 Sr2 172.9(3) 28 1_655 ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 29.98 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.488 _refine_diff_density_min -0.873 _refine_diff_density_rms 0.201 #=END data_rl3-78ii _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al12 N36 O18 Pr10 Si18 Sr3' _chemical_formula_weight 3293.70 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'N' 'N' 0.0061 0.0033 '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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sr' 'Sr' -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pr' 'Pr' -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Cubic _symmetry_space_group_name_H-M I-43m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y, x, z' '-y, -x, z' 'y, -x, -z' '-y, x, -z' 'x, z, y' '-x, z, -y' '-x, -z, y' 'x, -z, -y' 'z, y, x' 'z, -y, -x' '-z, y, -x' '-z, -y, x' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'z+1/2, x+1/2, y+1/2' 'z+1/2, -x+1/2, -y+1/2' '-z+1/2, -x+1/2, y+1/2' '-z+1/2, x+1/2, -y+1/2' 'y+1/2, z+1/2, x+1/2' '-y+1/2, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x+1/2' '-y+1/2, -z+1/2, x+1/2' 'y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, z+1/2, y+1/2' '-x+1/2, z+1/2, -y+1/2' '-x+1/2, -z+1/2, y+1/2' 'x+1/2, -z+1/2, -y+1/2' 'z+1/2, y+1/2, x+1/2' 'z+1/2, -y+1/2, -x+1/2' '-z+1/2, y+1/2, -x+1/2' '-z+1/2, -y+1/2, x+1/2' _cell_length_a 13.3454(6) _cell_length_b 13.3454(6) _cell_length_c 13.3454(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2376.81(19) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 92 _cell_measurement_theta_min 5.29 _cell_measurement_theta_max 17.40 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 4.602 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3016 _exptl_absorpt_coefficient_mu 14.155 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.0210 _exptl_absorpt_correction_T_max 0.0711 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8052 _diffrn_reflns_av_R_equivalents 0.0561 _diffrn_reflns_av_sigmaI/netI 0.0277 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.16 _diffrn_reflns_theta_max 39.97 _reflns_number_total 1393 _reflns_number_gt 1314 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of 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^)+(0.0331P)^2^+1.0807P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00063(9) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.014(17) _refine_ls_number_reflns 1393 _refine_ls_number_parameters 57 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0296 _refine_ls_R_factor_gt 0.0261 _refine_ls_wR_factor_ref 0.0646 _refine_ls_wR_factor_gt 0.0627 _refine_ls_goodness_of_fit_ref 1.093 _refine_ls_restrained_S_all 1.093 _refine_ls_shift/su_max 0.001 _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 Pr1 Pr 0.37033(4) 0.37033(4) 0.04848(8) 0.02076(9) Uani 0.83(2) 2 d SP . . Sr1 Sr 0.3709(5) 0.3709(5) 0.0625(7) 0.044(3) Uani 0.17(3) 2 d SP . . Sr2 Sr 0.0000 0.0000 0.0000 0.156(4) Uani 1 24 d S . . Si1 Si 0.15021(6) 0.15021(6) 0.31014(9) 0.01542(19) Uani 1 2 d S . . Si2 Si 0.30016(13) 0.0000 0.0000 0.0148(3) Uani 1 4 d S . . Al1 Al 0.20544(6) 0.20544(6) 0.95438(9) 0.01216(19) Uani 1 2 d S . . O1 O 0.2135(2) 0.2135(2) 0.3979(3) 0.0349(10) Uani 1 2 d S . . O2 O 0.2500 0.5000 0.0000 0.0290(10) Uani 1 4 d S . . N1 N 0.07204(19) 0.07204(19) 0.3770(3) 0.0197(6) Uani 1 2 d S . . N2 N 0.2322(2) 0.2322(2) 0.0823(3) 0.0184(6) Uani 1 2 d S . . N3 N 0.9225(2) 0.0775(2) 0.2288(4) 0.0251(8) Uani 1 2 d S . . 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 Pr1 0.02329(13) 0.02329(13) 0.0157(3) -0.00002(10) -0.00002(10) -0.00705(17) Sr1 0.061(4) 0.061(4) 0.012(2) 0.0006(10) 0.0006(10) -0.039(4) Sr2 0.156(4) 0.156(4) 0.156(4) 0.000 0.000 0.000 Si1 0.0154(3) 0.0154(3) 0.0154(4) 0.0001(2) 0.0001(2) -0.0004(3) Si2 0.0149(6) 0.0148(4) 0.0148(4) -0.0007(5) 0.000 0.000 Al1 0.0123(3) 0.0123(3) 0.0119(4) -0.0002(2) -0.0002(2) 0.0002(3) O1 0.0408(15) 0.0408(15) 0.0230(16) -0.0002(9) -0.0002(9) -0.0179(18) O2 0.026(2) 0.0307(15) 0.0307(15) 0.000 0.000 0.000 N1 0.0207(9) 0.0207(9) 0.0176(14) -0.0006(8) -0.0006(8) -0.0059(11) N2 0.0200(9) 0.0200(9) 0.0154(13) 0.0014(8) 0.0014(8) 0.0025(11) N3 0.0213(10) 0.0213(10) 0.033(2) 0.0095(11) -0.0095(11) -0.0028(13) _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 Pr1 O2 2.4478(3) 30 ? Pr1 O2 2.4478(3) . ? Pr1 N1 2.534(4) 26_554 ? Pr1 O1 2.557(4) 26_554 ? Pr1 N2 2.646(4) . ? Pr1 N1 2.971(2) 28 ? Pr1 N1 2.971(2) 27 ? Pr1 O1 3.0604(10) 9 ? Pr1 O1 3.0604(10) 5 ? Pr1 N3 3.131(6) 28_455 ? Pr1 Si2 3.1732(14) 34 ? Pr1 Si1 3.2043(16) 26_554 ? Sr1 O2 2.503(3) 30 ? Sr1 O2 2.503(3) . ? Sr1 N2 2.632(11) . ? Sr1 N1 2.700(10) 26_554 ? Sr1 O1 2.713(10) 26_554 ? Sr1 N1 2.905(9) 28 ? Sr1 N1 2.905(9) 27 ? Sr1 O1 2.933(8) 9 ? Sr1 O1 2.933(8) 5 ? Sr1 N3 2.950(10) 28_455 ? Sr1 Si2 3.049(10) 34 ? Sr1 Si1 3.271(9) 9 ? Sr1 Si1 3.271(9) 5 ? Sr1 Si1 3.391(9) 26_554 ? Sr1 Al1 3.440(10) 1_554 ? Sr1 Al1 3.445(8) 34_545 ? Sr2 N3 3.386(6) 12_554 ? Sr2 N3 3.386(6) 8_545 ? Sr2 N3 3.386(6) 4_455 ? Sr2 N3 3.386(6) 9_554 ? Sr2 N3 3.386(6) 5_545 ? Sr2 N3 3.386(6) 1_455 ? Sr2 N3 3.386(6) 10_556 ? Sr2 N3 3.386(6) 6_565 ? Sr2 N3 3.386(6) 2_655 ? Sr2 N3 3.386(6) 11_556 ? Sr2 N3 3.386(6) 7_565 ? Sr2 N3 3.386(6) 3_655 ? Sr2 Al1 3.9249(12) 9_545 ? Sr2 Al1 3.9249(12) 5_455 ? Sr2 Al1 3.9249(12) 1_554 ? Sr2 Al1 3.9249(12) 10_545 ? Si1 O1 1.673(4) . ? Si1 N1 1.724(4) . ? Si1 N2 1.761(2) 9 ? Si1 N2 1.761(2) 5 ? Si1 Si2 2.8381(11) 9 ? Si1 Pr1 3.2043(16) 26 ? Si1 Sr1 3.271(9) 9 ? Si1 Sr1 3.271(9) 5 ? Si1 Pr1 3.3344(9) 5 ? Si1 Pr1 3.3344(9) 9 ? Si1 Sr1 3.391(9) 26 ? Si1 Sr1 4.106(7) 27_545 ? Si2 N1 1.703(4) 5 ? Si2 N1 1.703(4) 6 ? Si2 N3 1.745(4) 5_545 ? Si2 N3 1.745(4) 6_565 ? Si2 Si1 2.8381(11) 5 ? Si2 Si1 2.8381(11) 6 ? Si2 Sr1 3.049(10) 32_545 ? Si2 Sr1 3.049(10) 31_554 ? Si2 Pr1 3.1732(14) 31_554 ? Si2 Pr1 3.1732(14) 32_545 ? Si2 Pr1 4.1196(17) 30 ? Al1 O1 1.705(4) 26 ? Al1 N2 1.781(4) 1_556 ? Al1 N3 1.787(2) 6_566 ? Al1 N3 1.787(2) 9 ? Al1 Pr1 3.3558(15) 1_556 ? Al1 Sr1 3.440(10) 1_556 ? Al1 Sr1 3.445(8) 36 ? Al1 Sr1 3.445(8) 31 ? Al1 Pr1 3.6146(12) 36 ? Al1 Pr1 3.6146(12) 31 ? Al1 Sr2 3.9249(12) 1_556 ? O1 Al1 1.705(4) 26_554 ? O1 Pr1 2.557(4) 26 ? O1 Sr1 2.713(10) 26 ? O1 Sr1 2.933(8) 9 ? O1 Sr1 2.933(8) 5 ? O1 Pr1 3.0604(10) 5 ? O1 Pr1 3.0604(10) 9 ? O2 Pr1 2.4478(3) 36_554 ? O2 Pr1 2.4478(3) 4_565 ? O2 Pr1 2.4478(3) 34 ? O2 Sr1 2.503(3) 36_554 ? O2 Sr1 2.503(3) 4_565 ? O2 Sr1 2.503(3) 34 ? N1 Si2 1.703(4) 9 ? N1 Pr1 2.534(4) 26 ? N1 Sr1 2.700(10) 26 ? N1 Sr1 2.905(9) 28_455 ? N1 Sr1 2.905(9) 27_545 ? N1 Pr1 2.971(2) 27_545 ? N1 Pr1 2.971(2) 28_455 ? N1 Sr1 3.991(7) 9 ? N1 Sr1 3.991(7) 5 ? N1 Pr1 3.994(2) 9 ? N1 Pr1 3.994(2) 5 ? N2 Si1 1.761(2) 9 ? N2 Si1 1.761(2) 5 ? N2 Al1 1.781(4) 1_554 ? N2 Sr1 4.167(7) 31_554 ? N2 Sr1 4.167(7) 36_554 ? N3 Si2 1.745(4) 9_655 ? N3 Al1 1.787(2) 5 ? N3 Al1 1.787(2) 12_665 ? N3 Sr1 2.950(10) 28 ? N3 Pr1 3.130(6) 28 ? N3 Sr2 3.386(6) 1_655 ? 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 O2 Pr1 O2 149.06(5) 30 . ? O2 Pr1 N1 75.28(2) 30 26_554 ? O2 Pr1 N1 75.28(2) . 26_554 ? O2 Pr1 O1 79.32(3) 30 26_554 ? O2 Pr1 O1 79.32(3) . 26_554 ? N1 Pr1 O1 63.64(12) 26_554 26_554 ? O2 Pr1 N2 94.62(3) 30 . ? O2 Pr1 N2 94.62(3) . . ? N1 Pr1 N2 125.25(12) 26_554 . ? O1 Pr1 N2 61.61(12) 26_554 . ? O2 Pr1 N1 67.53(7) 30 28 ? O2 Pr1 N1 119.99(7) . 28 ? N1 Pr1 N1 87.07(13) 26_554 28 ? O1 Pr1 N1 140.59(10) 26_554 28 ? N2 Pr1 N1 138.98(9) . 28 ? O2 Pr1 N1 119.99(7) 30 27 ? O2 Pr1 N1 67.53(7) . 27 ? N1 Pr1 N1 87.07(13) 26_554 27 ? O1 Pr1 N1 140.59(10) 26_554 27 ? N2 Pr1 N1 138.98(9) . 27 ? N1 Pr1 N1 54.47(12) 28 27 ? O2 Pr1 O1 138.82(9) 30 9 ? O2 Pr1 O1 69.91(8) . 9 ? N1 Pr1 O1 145.18(8) 26_554 9 ? O1 Pr1 O1 108.59(3) 26_554 9 ? N2 Pr1 O1 58.97(10) . 9 ? N1 Pr1 O1 110.34(11) 28 9 ? N1 Pr1 O1 80.04(10) 27 9 ? O2 Pr1 O1 69.91(8) 30 5 ? O2 Pr1 O1 138.82(9) . 5 ? N1 Pr1 O1 145.18(8) 26_554 5 ? O1 Pr1 O1 108.59(3) 26_554 5 ? N2 Pr1 O1 58.97(10) . 5 ? N1 Pr1 O1 80.04(10) 28 5 ? N1 Pr1 O1 110.34(11) 27 5 ? O1 Pr1 O1 69.32(16) 9 5 ? O2 Pr1 N3 103.86(3) 30 28_455 ? O2 Pr1 N3 103.86(3) . 28_455 ? N1 Pr1 N3 136.25(12) 26_554 28_455 ? O1 Pr1 N3 160.11(13) 26_554 28_455 ? N2 Pr1 N3 98.50(11) . 28_455 ? N1 Pr1 N3 54.77(9) 28 28_455 ? N1 Pr1 N3 54.77(9) 27 28_455 ? O1 Pr1 N3 56.10(9) 9 28_455 ? O1 Pr1 N3 56.10(9) 5 28_455 ? O2 Pr1 Si2 98.08(2) 30 34 ? O2 Pr1 Si2 98.08(2) . 34 ? N1 Pr1 Si2 104.12(9) 26_554 34 ? O1 Pr1 Si2 167.76(10) 26_554 34 ? N2 Pr1 Si2 130.63(9) . 34 ? N1 Pr1 Si2 31.96(7) 28 34 ? N1 Pr1 Si2 31.96(7) 27 34 ? O1 Pr1 Si2 81.33(8) 9 34 ? O1 Pr1 Si2 81.33(8) 5 34 ? N3 Pr1 Si2 32.14(8) 28_455 34 ? O2 Pr1 Si1 75.05(2) 30 26_554 ? O2 Pr1 Si1 75.05(2) . 26_554 ? N1 Pr1 Si1 32.37(9) 26_554 26_554 ? O1 Pr1 Si1 31.27(9) 26_554 26_554 ? N2 Pr1 Si1 92.88(9) . 26_554 ? N1 Pr1 Si1 115.60(8) 28 26_554 ? N1 Pr1 Si1 115.60(8) 27 26_554 ? O1 Pr1 Si1 131.76(8) 9 26_554 ? O1 Pr1 Si1 131.76(8) 5 26_554 ? N3 Pr1 Si1 168.62(8) 28_455 26_554 ? Si2 Pr1 Si1 136.49(4) 34 26_554 ? O2 Sr1 O2 140.9(4) 30 . ? O2 Sr1 N2 93.7(2) 30 . ? O2 Sr1 N2 93.7(2) . . ? O2 Sr1 N1 71.5(2) 30 26_554 ? O2 Sr1 N1 71.5(2) . 26_554 ? N2 Sr1 N1 119.3(4) . 26_554 ? O2 Sr1 O1 75.4(2) 30 26_554 ? O2 Sr1 O1 75.4(2) . 26_554 ? N2 Sr1 O1 59.8(2) . 26_554 ? N1 Sr1 O1 59.5(2) 26_554 26_554 ? O2 Sr1 N1 68.02(16) 30 28 ? O2 Sr1 N1 120.5(3) . 28 ? N2 Sr1 N1 143.8(2) . 28 ? N1 Sr1 N1 85.4(3) 26_554 28 ? O1 Sr1 N1 135.9(3) 26_554 28 ? O2 Sr1 N1 120.5(3) 30 27 ? O2 Sr1 N1 68.02(16) . 27 ? N2 Sr1 N1 143.8(2) . 27 ? N1 Sr1 N1 85.4(3) 26_554 27 ? O1 Sr1 N1 135.9(3) 26_554 27 ? N1 Sr1 N1 55.8(2) 28 27 ? O2 Sr1 O1 143.2(3) 30 9 ? O2 Sr1 O1 71.50(13) . 9 ? N2 Sr1 O1 60.9(2) . 9 ? N1 Sr1 O1 142.87(15) 26_554 9 ? O1 Sr1 O1 108.0(3) 26_554 9 ? N1 Sr1 O1 116.0(3) 28 9 ? N1 Sr1 O1 83.3(2) 27 9 ? O2 Sr1 O1 71.50(13) 30 5 ? O2 Sr1 O1 143.2(3) . 5 ? N2 Sr1 O1 60.9(2) . 5 ? N1 Sr1 O1 142.87(15) 26_554 5 ? O1 Sr1 O1 108.0(3) 26_554 5 ? N1 Sr1 O1 83.3(2) 28 5 ? N1 Sr1 O1 116.0(3) 27 5 ? O1 Sr1 O1 72.8(3) 9 5 ? O2 Sr1 N3 107.7(2) 30 28_455 ? O2 Sr1 N3 107.7(2) . 28_455 ? N2 Sr1 N3 103.5(3) . 28_455 ? N1 Sr1 N3 137.2(4) 26_554 28_455 ? O1 Sr1 N3 163.3(4) 26_554 28_455 ? N1 Sr1 N3 57.4(2) 28 28_455 ? N1 Sr1 N3 57.4(2) 27 28_455 ? O1 Sr1 N3 59.33(19) 9 28_455 ? O1 Sr1 N3 59.33(19) 5 28_455 ? O2 Sr1 Si2 100.1(2) 30 34 ? O2 Sr1 Si2 100.1(2) . 34 ? N2 Sr1 Si2 137.3(4) . 34 ? N1 Sr1 Si2 103.4(3) 26_554 34 ? O1 Sr1 Si2 162.9(4) 26_554 34 ? N1 Sr1 Si2 33.13(13) 28 34 ? N1 Sr1 Si2 33.13(13) 27 34 ? O1 Sr1 Si2 85.5(2) 9 34 ? O1 Sr1 Si2 85.5(2) 5 34 ? N3 Sr1 Si2 33.78(13) 28_455 34 ? O2 Sr1 Si1 125.4(3) 30 9 ? O2 Sr1 Si1 73.11(15) . 9 ? N2 Sr1 Si1 32.46(11) . 9 ? N1 Sr1 Si1 130.7(3) 26_554 9 ? O1 Sr1 Si1 79.2(2) 26_554 9 ? N1 Sr1 Si1 142.9(3) 28 9 ? N1 Sr1 Si1 111.44(17) 27 9 ? O1 Sr1 Si1 30.67(12) 9 9 ? O1 Sr1 Si1 71.8(2) 5 9 ? N3 Sr1 Si1 86.0(2) 28_455 9 ? Si2 Sr1 Si1 115.7(3) 34 9 ? O2 Sr1 Si1 73.11(15) 30 5 ? O2 Sr1 Si1 125.4(3) . 5 ? N2 Sr1 Si1 32.46(11) . 5 ? N1 Sr1 Si1 130.7(3) 26_554 5 ? O1 Sr1 Si1 79.2(2) 26_554 5 ? N1 Sr1 Si1 111.44(17) 28 5 ? N1 Sr1 Si1 142.9(3) 27 5 ? O1 Sr1 Si1 71.8(2) 9 5 ? O1 Sr1 Si1 30.67(12) 5 5 ? N3 Sr1 Si1 86.0(2) 28_455 5 ? Si2 Sr1 Si1 115.7(3) 34 5 ? Si1 Sr1 Si1 54.94(16) 9 5 ? O2 Sr1 Si1 70.9(2) 30 26_554 ? O2 Sr1 Si1 70.9(2) . 26_554 ? N2 Sr1 Si1 89.0(3) . 26_554 ? N1 Sr1 Si1 30.25(13) 26_554 26_554 ? O1 Sr1 Si1 29.20(13) 26_554 26_554 ? N1 Sr1 Si1 112.0(3) 28 26_554 ? N1 Sr1 Si1 112.0(3) 27 26_554 ? O1 Sr1 Si1 129.3(2) 9 26_554 ? O1 Sr1 Si1 129.3(2) 5 26_554 ? N3 Sr1 Si1 167.5(4) 28_455 26_554 ? Si2 Sr1 Si1 133.7(3) 34 26_554 ? Si1 Sr1 Si1 105.1(2) 9 26_554 ? Si1 Sr1 Si1 105.1(2) 5 26_554 ? O2 Sr1 Al1 83.6(2) 30 1_554 ? O2 Sr1 Al1 83.6(2) . 1_554 ? N2 Sr1 Al1 30.57(14) . 1_554 ? N1 Sr1 Al1 88.7(3) 26_554 1_554 ? O1 Sr1 Al1 29.25(13) 26_554 1_554 ? N1 Sr1 Al1 151.41(13) 28 1_554 ? N1 Sr1 Al1 151.41(13) 27 1_554 ? O1 Sr1 Al1 84.7(2) 9 1_554 ? O1 Sr1 Al1 84.7(2) 5 1_554 ? N3 Sr1 Al1 134.1(3) 28_455 1_554 ? Si2 Sr1 Al1 167.8(3) 34 1_554 ? Si1 Sr1 Al1 54.06(15) 9 1_554 ? Si1 Sr1 Al1 54.06(15) 5 1_554 ? Si1 Sr1 Al1 58.45(16) 26_554 1_554 ? O2 Sr1 Al1 135.4(3) 30 34_545 ? O2 Sr1 Al1 83.47(13) . 34_545 ? N2 Sr1 Al1 85.9(2) . 34_545 ? N1 Sr1 Al1 144.7(2) 26_554 34_545 ? O1 Sr1 Al1 137.7(3) 26_554 34_545 ? N1 Sr1 Al1 86.5(2) 28 34_545 ? N1 Sr1 Al1 61.89(17) 27 34_545 ? O1 Sr1 Al1 29.65(11) 9 34_545 ? O1 Sr1 Al1 69.5(2) 5 34_545 ? N3 Sr1 Al1 31.25(10) 28_455 34_545 ? Si2 Sr1 Al1 56.22(15) 34 34_545 ? Si1 Sr1 Al1 59.49(14) 9 34_545 ? Si1 Sr1 Al1 84.0(2) 5 34_545 ? Si1 Sr1 Al1 153.50(9) 26_554 34_545 ? Al1 Sr1 Al1 113.2(2) 1_554 34_545 ? N3 Sr2 N3 49.89(11) 12_554 8_545 ? N3 Sr2 N3 49.89(11) 12_554 4_455 ? N3 Sr2 N3 49.89(11) 8_545 4_455 ? N3 Sr2 N3 144.43(9) 12_554 9_554 ? N3 Sr2 N3 117.24(4) 8_545 9_554 ? N3 Sr2 N3 95.35(3) 4_455 9_554 ? N3 Sr2 N3 95.35(3) 12_554 5_545 ? N3 Sr2 N3 144.43(9) 8_545 5_545 ? N3 Sr2 N3 117.24(4) 4_455 5_545 ? N3 Sr2 N3 95.35(3) 9_554 5_545 ? N3 Sr2 N3 117.24(4) 12_554 1_455 ? N3 Sr2 N3 95.35(3) 8_545 1_455 ? N3 Sr2 N3 144.43(9) 4_455 1_455 ? N3 Sr2 N3 95.35(3) 9_554 1_455 ? N3 Sr2 N3 95.35(3) 5_545 1_455 ? N3 Sr2 N3 144.43(9) 12_554 10_556 ? N3 Sr2 N3 95.35(3) 8_545 10_556 ? N3 Sr2 N3 117.24(4) 4_455 10_556 ? N3 Sr2 N3 51.19(13) 9_554 10_556 ? N3 Sr2 N3 117.24(4) 5_545 10_556 ? N3 Sr2 N3 49.89(11) 1_455 10_556 ? N3 Sr2 N3 117.24(4) 12_554 6_565 ? N3 Sr2 N3 144.43(9) 8_545 6_565 ? N3 Sr2 N3 95.35(3) 4_455 6_565 ? N3 Sr2 N3 49.89(11) 9_554 6_565 ? N3 Sr2 N3 51.19(13) 5_545 6_565 ? N3 Sr2 N3 117.24(4) 1_455 6_565 ? N3 Sr2 N3 95.35(3) 10_556 6_565 ? N3 Sr2 N3 95.35(3) 12_554 2_655 ? N3 Sr2 N3 117.24(4) 8_545 2_655 ? N3 Sr2 N3 144.43(9) 4_455 2_655 ? N3 Sr2 N3 117.24(4) 9_554 2_655 ? N3 Sr2 N3 49.89(11) 5_545 2_655 ? N3 Sr2 N3 51.19(13) 1_455 2_655 ? N3 Sr2 N3 95.35(3) 10_556 2_655 ? N3 Sr2 N3 95.35(3) 6_565 2_655 ? N3 Sr2 N3 51.19(13) 12_554 11_556 ? N3 Sr2 N3 95.35(3) 8_545 11_556 ? N3 Sr2 N3 95.35(3) 4_455 11_556 ? N3 Sr2 N3 144.43(9) 9_554 11_556 ? N3 Sr2 N3 49.89(11) 5_545 11_556 ? N3 Sr2 N3 95.35(3) 1_455 11_556 ? N3 Sr2 N3 144.43(9) 10_556 11_556 ? N3 Sr2 N3 95.35(3) 6_565 11_556 ? N3 Sr2 N3 49.89(11) 2_655 11_556 ? N3 Sr2 N3 95.35(3) 12_554 7_565 ? N3 Sr2 N3 51.19(13) 8_545 7_565 ? N3 Sr2 N3 95.35(3) 4_455 7_565 ? N3 Sr2 N3 95.35(3) 9_554 7_565 ? N3 Sr2 N3 144.43(9) 5_545 7_565 ? N3 Sr2 N3 49.89(11) 1_455 7_565 ? N3 Sr2 N3 49.89(11) 10_556 7_565 ? N3 Sr2 N3 144.43(9) 6_565 7_565 ? N3 Sr2 N3 95.35(3) 2_655 7_565 ? N3 Sr2 N3 117.24(4) 11_556 7_565 ? N3 Sr2 N3 95.35(3) 12_554 3_655 ? N3 Sr2 N3 95.35(3) 8_545 3_655 ? N3 Sr2 N3 51.19(13) 4_455 3_655 ? N3 Sr2 N3 49.89(11) 9_554 3_655 ? N3 Sr2 N3 95.35(3) 5_545 3_655 ? N3 Sr2 N3 144.43(9) 1_455 3_655 ? N3 Sr2 N3 95.35(3) 10_556 3_655 ? N3 Sr2 N3 49.89(11) 6_565 3_655 ? N3 Sr2 N3 144.43(9) 2_655 3_655 ? N3 Sr2 N3 117.24(4) 11_556 3_655 ? N3 Sr2 N3 117.24(4) 7_565 3_655 ? N3 Sr2 Al1 106.67(7) 12_554 9_545 ? N3 Sr2 Al1 142.751(14) 8_545 9_545 ? N3 Sr2 Al1 142.750(14) 4_455 9_545 ? N3 Sr2 Al1 98.041(17) 9_554 9_545 ? N3 Sr2 Al1 27.03(4) 5_545 9_545 ? N3 Sr2 Al1 68.33(6) 1_455 9_545 ? N3 Sr2 Al1 98.041(17) 10_556 9_545 ? N3 Sr2 Al1 68.33(6) 6_565 9_545 ? N3 Sr2 Al1 27.03(4) 2_655 9_545 ? N3 Sr2 Al1 55.48(7) 11_556 9_545 ? N3 Sr2 Al1 117.65(5) 7_565 9_545 ? N3 Sr2 Al1 117.65(5) 3_655 9_545 ? N3 Sr2 Al1 142.750(14) 12_554 5_455 ? N3 Sr2 Al1 106.67(7) 8_545 5_455 ? N3 Sr2 Al1 142.751(14) 4_455 5_455 ? N3 Sr2 Al1 68.33(6) 9_554 5_455 ? N3 Sr2 Al1 98.041(17) 5_545 5_455 ? N3 Sr2 Al1 27.03(4) 1_455 5_455 ? N3 Sr2 Al1 27.03(4) 10_556 5_455 ? N3 Sr2 Al1 98.041(17) 6_565 5_455 ? N3 Sr2 Al1 68.33(6) 2_655 5_455 ? N3 Sr2 Al1 117.65(5) 11_556 5_455 ? N3 Sr2 Al1 55.48(7) 7_565 5_455 ? N3 Sr2 Al1 117.65(5) 3_655 5_455 ? Al1 Sr2 Al1 74.26(3) 9_545 5_455 ? N3 Sr2 Al1 142.751(14) 12_554 1_554 ? N3 Sr2 Al1 142.750(14) 8_545 1_554 ? N3 Sr2 Al1 106.67(7) 4_455 1_554 ? N3 Sr2 Al1 27.03(4) 9_554 1_554 ? N3 Sr2 Al1 68.33(6) 5_545 1_554 ? N3 Sr2 Al1 98.041(17) 1_455 1_554 ? N3 Sr2 Al1 68.33(6) 10_556 1_554 ? N3 Sr2 Al1 27.03(4) 6_565 1_554 ? N3 Sr2 Al1 98.041(17) 2_655 1_554 ? N3 Sr2 Al1 117.65(5) 11_556 1_554 ? N3 Sr2 Al1 117.65(5) 7_565 1_554 ? N3 Sr2 Al1 55.48(7) 3_655 1_554 ? Al1 Sr2 Al1 74.26(3) 9_545 1_554 ? Al1 Sr2 Al1 74.26(3) 5_455 1_554 ? N3 Sr2 Al1 55.48(7) 12_554 10_545 ? N3 Sr2 Al1 27.03(4) 8_545 10_545 ? N3 Sr2 Al1 27.03(4) 4_455 10_545 ? N3 Sr2 Al1 98.041(17) 9_554 10_545 ? N3 Sr2 Al1 142.751(14) 5_545 10_545 ? N3 Sr2 Al1 117.65(5) 1_455 10_545 ? N3 Sr2 Al1 98.041(17) 10_556 10_545 ? N3 Sr2 Al1 117.65(5) 6_565 10_545 ? N3 Sr2 Al1 142.750(14) 2_655 10_545 ? N3 Sr2 Al1 106.67(7) 11_556 10_545 ? N3 Sr2 Al1 68.33(6) 7_565 10_545 ? N3 Sr2 Al1 68.33(6) 3_655 10_545 ? Al1 Sr2 Al1 162.15(4) 9_545 10_545 ? Al1 Sr2 Al1 119.207(3) 5_455 10_545 ? Al1 Sr2 Al1 119.207(3) 1_554 10_545 ? O1 Si1 N1 104.4(2) . . ? O1 Si1 N2 111.09(16) . 9 ? N1 Si1 N2 111.74(13) . 9 ? O1 Si1 N2 111.09(16) . 5 ? N1 Si1 N2 111.74(13) . 5 ? N2 Si1 N2 106.9(2) 9 5 ? O1 Si1 Si2 138.24(16) . 9 ? N1 Si1 Si2 33.85(13) . 9 ? N2 Si1 Si2 92.73(12) 9 9 ? N2 Si1 Si2 92.73(12) 5 9 ? O1 Si1 Pr1 52.50(15) . 26 ? N1 Si1 Pr1 51.89(13) . 26 ? N2 Si1 Pr1 126.56(12) 9 26 ? N2 Si1 Pr1 126.56(12) 5 26 ? Si2 Si1 Pr1 85.74(5) 9 26 ? O1 Si1 Sr1 63.42(15) . 9 ? N1 Si1 Sr1 101.54(13) . 9 ? N2 Si1 Sr1 53.35(17) 9 9 ? N2 Si1 Sr1 146.31(15) 5 9 ? Si2 Si1 Sr1 113.25(15) 9 9 ? Pr1 Si1 Sr1 78.48(9) 26 9 ? O1 Si1 Sr1 63.42(15) . 5 ? N1 Si1 Sr1 101.54(13) . 5 ? N2 Si1 Sr1 146.31(15) 9 5 ? N2 Si1 Sr1 53.35(17) 5 5 ? Si2 Si1 Sr1 113.25(15) 9 5 ? Pr1 Si1 Sr1 78.48(9) 26 5 ? Sr1 Si1 Sr1 125.6(3) 9 5 ? O1 Si1 Pr1 65.93(3) . 5 ? N1 Si1 Pr1 99.33(6) . 5 ? N2 Si1 Pr1 148.07(12) 9 5 ? N2 Si1 Pr1 52.08(13) 5 5 ? Si2 Si1 Pr1 110.24(3) 9 5 ? Pr1 Si1 Pr1 78.55(2) 26 5 ? Sr1 Si1 Pr1 128.47(15) 9 5 ? Sr1 Si1 Pr1 3.06(18) 5 5 ? O1 Si1 Pr1 65.93(3) . 9 ? N1 Si1 Pr1 99.33(6) . 9 ? N2 Si1 Pr1 52.08(13) 9 9 ? N2 Si1 Pr1 148.07(12) 5 9 ? Si2 Si1 Pr1 110.24(3) 9 9 ? Pr1 Si1 Pr1 78.55(2) 26 9 ? Sr1 Si1 Pr1 3.06(18) 9 9 ? Sr1 Si1 Pr1 128.47(15) 5 9 ? Pr1 Si1 Pr1 131.25(5) 5 9 ? O1 Si1 Sr1 52.3(2) . 26 ? N1 Si1 Sr1 52.1(2) . 26 ? N2 Si1 Sr1 126.56(12) 9 26 ? N2 Si1 Sr1 126.56(12) 5 26 ? Si2 Si1 Sr1 85.94(17) 9 26 ? Pr1 Si1 Sr1 0.20(19) 26 26 ? Sr1 Si1 Sr1 78.40(3) 9 26 ? Sr1 Si1 Sr1 78.40(3) 5 26 ? Pr1 Si1 Sr1 78.47(7) 5 26 ? Pr1 Si1 Sr1 78.47(7) 9 26 ? O1 Si1 Sr1 101.71(16) . 27_545 ? N1 Si1 Sr1 36.39(12) . 27_545 ? N2 Si1 Sr1 79.64(17) 9 27_545 ? N2 Si1 Sr1 140.65(16) 5 27_545 ? Si2 Si1 Sr1 47.92(10) 9 27_545 ? Pr1 Si1 Sr1 60.37(12) 26 27_545 ? Sr1 Si1 Sr1 68.56(18) 9 27_545 ? Sr1 Si1 Sr1 133.6(2) 5 27_545 ? Pr1 Si1 Sr1 132.22(13) 5 27_545 ? Pr1 Si1 Sr1 65.87(10) 9 27_545 ? Sr1 Si1 Sr1 60.5(2) 26 27_545 ? N1 Si2 N1 106.0(3) 5 6 ? N1 Si2 N3 109.17(11) 5 5_545 ? N1 Si2 N3 109.17(11) 6 5_545 ? N1 Si2 N3 109.17(11) 5 6_565 ? N1 Si2 N3 109.17(11) 6 6_565 ? N3 Si2 N3 113.9(4) 5_545 6_565 ? N1 Si2 Si1 34.33(13) 5 5 ? N1 Si2 Si1 140.29(16) 6 5 ? N3 Si2 Si1 91.47(2) 5_545 5 ? N3 Si2 Si1 91.47(2) 6_565 5 ? N1 Si2 Si1 140.29(16) 5 6 ? N1 Si2 Si1 34.33(13) 6 6 ? N3 Si2 Si1 91.47(2) 5_545 6 ? N3 Si2 Si1 91.47(2) 6_565 6 ? Si1 Si2 Si1 174.62(9) 5 6 ? N1 Si2 Sr1 68.78(12) 5 32_545 ? N1 Si2 Sr1 68.78(12) 6 32_545 ? N3 Si2 Sr1 70.0(3) 5_545 32_545 ? N3 Si2 Sr1 176.1(3) 6_565 32_545 ? Si1 Si2 Sr1 88.38(3) 5 32_545 ? Si1 Si2 Sr1 88.38(3) 6 32_545 ? N1 Si2 Sr1 68.78(12) 5 31_554 ? N1 Si2 Sr1 68.78(12) 6 31_554 ? N3 Si2 Sr1 176.1(3) 5_545 31_554 ? N3 Si2 Sr1 70.0(3) 6_565 31_554 ? Si1 Si2 Sr1 88.38(3) 5 31_554 ? Si1 Si2 Sr1 88.38(3) 6 31_554 ? Sr1 Si2 Sr1 106.1(4) 32_545 31_554 ? N1 Si2 Pr1 67.46(8) 5 31_554 ? N1 Si2 Pr1 67.46(8) 6 31_554 ? N3 Si2 Pr1 173.5(2) 5_545 31_554 ? N3 Si2 Pr1 72.58(19) 6_565 31_554 ? Si1 Si2 Pr1 88.29(3) 5 31_554 ? Si1 Si2 Pr1 88.29(3) 6 31_554 ? Sr1 Si2 Pr1 103.51(17) 32_545 31_554 ? Sr1 Si2 Pr1 2.58(19) 31_554 31_554 ? N1 Si2 Pr1 67.46(8) 5 32_545 ? N1 Si2 Pr1 67.46(8) 6 32_545 ? N3 Si2 Pr1 72.58(19) 5_545 32_545 ? N3 Si2 Pr1 173.5(2) 6_565 32_545 ? Si1 Si2 Pr1 88.29(3) 5 32_545 ? Si1 Si2 Pr1 88.29(3) 6 32_545 ? Sr1 Si2 Pr1 2.58(19) 32_545 32_545 ? Sr1 Si2 Pr1 103.51(17) 31_554 32_545 ? Pr1 Si2 Pr1 100.93(6) 31_554 32_545 ? N1 Si2 Sr2 127.02(14) 5 . ? N1 Si2 Sr2 127.02(14) 6 . ? N3 Si2 Sr2 57.0(2) 5_545 . ? N3 Si2 Sr2 57.0(2) 6_565 . ? Si1 Si2 Sr2 92.69(4) 5 . ? Si1 Si2 Sr2 92.69(4) 6 . ? Sr1 Si2 Sr2 126.95(18) 32_545 . ? Sr1 Si2 Sr2 126.95(18) 31_554 . ? Pr1 Si2 Sr2 129.54(3) 31_554 . ? Pr1 Si2 Sr2 129.54(3) 32_545 . ? N1 Si2 Pr1 16.54(14) 5 30 ? N1 Si2 Pr1 89.43(15) 6 30 ? N3 Si2 Pr1 116.02(15) 5_545 30 ? N3 Si2 Pr1 116.02(15) 6_565 30 ? Si1 Si2 Pr1 50.87(4) 5 30 ? Si1 Si2 Pr1 123.76(6) 6 30 ? Sr1 Si2 Pr1 61.08(13) 32_545 30 ? Sr1 Si2 Pr1 61.08(13) 31_554 30 ? Pr1 Si2 Pr1 59.20(3) 31_554 30 ? Pr1 Si2 Pr1 59.20(3) 32_545 30 ? Sr2 Si2 Pr1 143.55(2) . 30 ? O1 Al1 N2 99.8(2) 26 1_556 ? O1 Al1 N3 112.95(19) 26 6_566 ? N2 Al1 N3 112.63(13) 1_556 6_566 ? O1 Al1 N3 112.95(19) 26 9 ? N2 Al1 N3 112.63(13) 1_556 9 ? N3 Al1 N3 106.1(3) 6_566 9 ? O1 Al1 Pr1 48.19(15) 26 1_556 ? N2 Al1 Pr1 51.56(13) 1_556 1_556 ? N3 Al1 Pr1 126.94(15) 6_566 1_556 ? N3 Al1 Pr1 126.94(15) 9 1_556 ? O1 Al1 Sr1 51.0(2) 26 1_556 ? N2 Al1 Sr1 48.7(2) 1_556 1_556 ? N3 Al1 Sr1 126.94(15) 6_566 1_556 ? N3 Al1 Sr1 126.94(15) 9 1_556 ? Pr1 Al1 Sr1 2.82(17) 1_556 1_556 ? O1 Al1 Sr1 58.30(15) 26 36 ? N2 Al1 Sr1 100.91(13) 1_556 36 ? N3 Al1 Sr1 146.45(16) 6_566 36 ? N3 Al1 Sr1 58.9(2) 9 36 ? Pr1 Al1 Sr1 74.07(7) 1_556 36 ? Sr1 Al1 Sr1 75.43(14) 1_556 36 ? O1 Al1 Sr1 58.30(15) 26 31 ? N2 Al1 Sr1 100.91(13) 1_556 31 ? N3 Al1 Sr1 58.9(2) 6_566 31 ? N3 Al1 Sr1 146.45(16) 9 31 ? Pr1 Al1 Sr1 74.07(7) 1_556 31 ? Sr1 Al1 Sr1 75.43(14) 1_556 31 ? Sr1 Al1 Sr1 115.3(3) 36 31 ? O1 Al1 Pr1 57.59(2) 26 36 ? N2 Al1 Pr1 99.88(7) 1_556 36 ? N3 Al1 Pr1 147.46(12) 6_566 36 ? N3 Al1 Pr1 60.00(18) 9 36 ? Pr1 Al1 Pr1 72.77(2) 1_556 36 ? Sr1 Al1 Pr1 74.13(7) 1_556 36 ? Sr1 Al1 Pr1 1.30(7) 36 36 ? Sr1 Al1 Pr1 114.83(15) 31 36 ? O1 Al1 Pr1 57.59(2) 26 31 ? N2 Al1 Pr1 99.88(7) 1_556 31 ? N3 Al1 Pr1 60.00(18) 6_566 31 ? N3 Al1 Pr1 147.46(12) 9 31 ? Pr1 Al1 Pr1 72.77(2) 1_556 31 ? Sr1 Al1 Pr1 74.13(7) 1_556 31 ? Sr1 Al1 Pr1 114.83(15) 36 31 ? Sr1 Al1 Pr1 1.30(7) 31 31 ? Pr1 Al1 Pr1 114.33(4) 36 31 ? O1 Al1 Sr2 162.70(15) 26 1_556 ? N2 Al1 Sr2 97.54(14) 1_556 1_556 ? N3 Al1 Sr2 59.45(18) 6_566 1_556 ? N3 Al1 Sr2 59.45(18) 9 1_556 ? Pr1 Al1 Sr2 149.10(4) 1_556 1_556 ? Sr1 Al1 Sr2 146.28(16) 1_556 1_556 ? Sr1 Al1 Sr2 118.13(12) 36 1_556 ? Sr1 Al1 Sr2 118.13(12) 31 1_556 ? Pr1 Al1 Sr2 119.17(2) 36 1_556 ? Pr1 Al1 Sr2 119.17(2) 31 1_556 ? Si1 O1 Al1 161.8(3) . 26_554 ? Si1 O1 Pr1 96.23(17) . 26 ? Al1 O1 Pr1 102.00(19) 26_554 26 ? Si1 O1 Sr1 98.5(3) . 26 ? Al1 O1 Sr1 99.7(3) 26_554 26 ? Pr1 O1 Sr1 2.3(2) 26 26 ? Si1 O1 Sr1 85.9(2) . 9 ? Al1 O1 Sr1 92.1(2) 26_554 9 ? Pr1 O1 Sr1 96.28(13) 26 9 ? Sr1 O1 Sr1 96.41(14) 26 9 ? Si1 O1 Sr1 85.9(2) . 5 ? Al1 O1 Sr1 92.1(2) 26_554 5 ? Pr1 O1 Sr1 96.28(13) 26 5 ? Sr1 O1 Sr1 96.41(14) 26 5 ? Sr1 O1 Sr1 165.7(3) 9 5 ? Si1 O1 Pr1 84.13(8) . 5 ? Al1 O1 Pr1 94.35(8) 26_554 5 ? Pr1 O1 Pr1 94.53(8) 26 5 ? Sr1 O1 Pr1 94.74(8) 26 5 ? Sr1 O1 Pr1 166.0(2) 9 5 ? Sr1 O1 Pr1 2.63(17) 5 5 ? Si1 O1 Pr1 84.13(8) . 9 ? Al1 O1 Pr1 94.35(8) 26_554 9 ? Pr1 O1 Pr1 94.53(8) 26 9 ? Sr1 O1 Pr1 94.74(8) 26 9 ? Sr1 O1 Pr1 2.63(17) 9 9 ? Sr1 O1 Pr1 166.0(2) 5 9 ? Pr1 O1 Pr1 165.88(16) 5 9 ? Pr1 O2 Pr1 115.49(2) 36_554 4_565 ? Pr1 O2 Pr1 98.00(4) 36_554 34 ? Pr1 O2 Pr1 115.49(2) 4_565 34 ? Pr1 O2 Pr1 115.49(2) 36_554 . ? Pr1 O2 Pr1 98.00(4) 4_565 . ? Pr1 O2 Pr1 115.49(2) 34 . ? Pr1 O2 Sr1 4.1(2) 36_554 36_554 ? Pr1 O2 Sr1 118.5(2) 4_565 36_554 ? Pr1 O2 Sr1 98.7(2) 34 36_554 ? Pr1 O2 Sr1 111.7(2) . 36_554 ? Pr1 O2 Sr1 111.7(2) 36_554 4_565 ? Pr1 O2 Sr1 4.1(2) 4_565 4_565 ? Pr1 O2 Sr1 118.5(2) 34 4_565 ? Pr1 O2 Sr1 98.7(2) . 4_565 ? Sr1 O2 Sr1 114.5(2) 36_554 4_565 ? Pr1 O2 Sr1 118.5(2) 36_554 . ? Pr1 O2 Sr1 98.7(2) 4_565 . ? Pr1 O2 Sr1 111.7(2) 34 . ? Pr1 O2 Sr1 4.1(2) . . ? Sr1 O2 Sr1 114.5(2) 36_554 . ? Sr1 O2 Sr1 99.7(4) 4_565 . ? Pr1 O2 Sr1 98.7(2) 36_554 34 ? Pr1 O2 Sr1 111.7(2) 4_565 34 ? Pr1 O2 Sr1 4.1(2) 34 34 ? Pr1 O2 Sr1 118.5(2) . 34 ? Sr1 O2 Sr1 99.7(4) 36_554 34 ? Sr1 O2 Sr1 114.5(2) 4_565 34 ? Sr1 O2 Sr1 114.5(2) . 34 ? Si2 N1 Si1 111.8(2) 9 . ? Si2 N1 Pr1 152.4(2) 9 26 ? Si1 N1 Pr1 95.74(16) . 26 ? Si2 N1 Sr1 150.5(3) 9 26 ? Si1 N1 Sr1 97.7(3) . 26 ? Pr1 N1 Sr1 1.9(2) 26 26 ? Si2 N1 Sr1 78.09(16) 9 28_455 ? Si1 N1 Sr1 122.99(14) . 28_455 ? Pr1 N1 Sr1 87.12(19) 26 28_455 ? Sr1 N1 Sr1 86.09(19) 26 28_455 ? Si2 N1 Sr1 78.09(16) 9 27_545 ? Si1 N1 Sr1 122.99(14) . 27_545 ? Pr1 N1 Sr1 87.12(19) 26 27_545 ? Sr1 N1 Sr1 86.09(19) 26 27_545 ? Sr1 N1 Sr1 114.0(3) 28_455 27_545 ? Si2 N1 Pr1 80.57(9) 9 27_545 ? Si1 N1 Pr1 124.39(6) . 27_545 ? Pr1 N1 Pr1 83.92(9) 26 27_545 ? Sr1 N1 Pr1 82.85(15) 26 27_545 ? Sr1 N1 Pr1 112.56(17) 28_455 27_545 ? Sr1 N1 Pr1 3.4(2) 27_545 27_545 ? Si2 N1 Pr1 80.57(9) 9 28_455 ? Si1 N1 Pr1 124.39(6) . 28_455 ? Pr1 N1 Pr1 83.92(9) 26 28_455 ? Sr1 N1 Pr1 82.85(15) 26 28_455 ? Sr1 N1 Pr1 3.4(2) 28_455 28_455 ? Sr1 N1 Pr1 112.56(17) 27_545 28_455 ? Pr1 N1 Pr1 110.91(13) 27_545 28_455 ? Si2 N1 Sr1 122.27(15) 9 9 ? Si1 N1 Sr1 53.43(13) . 9 ? Pr1 N1 Sr1 74.02(14) 26 9 ? Sr1 N1 Sr1 75.28(7) 26 9 ? Sr1 N1 Sr1 159.63(13) 28_455 9 ? Sr1 N1 Sr1 73.40(13) 27_545 9 ? Pr1 N1 Sr1 73.69(13) 27_545 9 ? Pr1 N1 Sr1 156.99(17) 28_455 9 ? Si2 N1 Sr1 122.27(15) 9 5 ? Si1 N1 Sr1 53.43(13) . 5 ? Pr1 N1 Sr1 74.02(13) 26 5 ? Sr1 N1 Sr1 75.28(7) 26 5 ? Sr1 N1 Sr1 73.40(13) 28_455 5 ? Sr1 N1 Sr1 159.63(13) 27_545 5 ? Pr1 N1 Sr1 156.99(17) 27_545 5 ? Pr1 N1 Sr1 73.69(13) 28_455 5 ? Sr1 N1 Sr1 93.6(3) 9 5 ? Si2 N1 Pr1 120.32(10) 9 9 ? Si1 N1 Pr1 55.46(6) . 9 ? Pr1 N1 Pr1 75.02(6) 26 9 ? Sr1 N1 Pr1 76.20(15) 26 9 ? Sr1 N1 Pr1 161.41(19) 28_455 9 ? Sr1 N1 Pr1 70.86(11) 27_545 9 ? Pr1 N1 Pr1 71.22(3) 27_545 9 ? Pr1 N1 Pr1 158.56(12) 28_455 9 ? Sr1 N1 Pr1 2.69(14) 9 9 ? Sr1 N1 Pr1 96.32(14) 5 9 ? Si2 N1 Pr1 120.32(10) 9 5 ? Si1 N1 Pr1 55.46(6) . 5 ? Pr1 N1 Pr1 75.02(6) 26 5 ? Sr1 N1 Pr1 76.20(15) 26 5 ? Sr1 N1 Pr1 70.86(11) 28_455 5 ? Sr1 N1 Pr1 161.41(19) 27_545 5 ? Pr1 N1 Pr1 158.56(12) 27_545 5 ? Pr1 N1 Pr1 71.22(3) 28_455 5 ? Sr1 N1 Pr1 96.32(14) 9 5 ? Sr1 N1 Pr1 2.69(14) 5 5 ? Pr1 N1 Pr1 99.00(8) 9 5 ? Si1 N2 Si1 118.0(2) 9 5 ? Si1 N2 Al1 119.17(12) 9 1_554 ? Si1 N2 Al1 119.17(12) 5 1_554 ? Si1 N2 Sr1 94.19(17) 9 . ? Si1 N2 Sr1 94.19(17) 5 . ? Al1 N2 Sr1 100.7(3) 1_554 . ? Si1 N2 Pr1 96.26(14) 9 . ? Si1 N2 Pr1 96.26(14) 5 . ? Al1 N2 Pr1 96.63(16) 1_554 . ? Sr1 N2 Pr1 4.1(2) . . ? Si1 N2 Sr1 162.2(2) 9 31_554 ? Si1 N2 Sr1 75.80(15) 5 31_554 ? Al1 N2 Sr1 54.28(13) 1_554 31_554 ? Sr1 N2 Sr1 72.6(2) . 31_554 ? Pr1 N2 Sr1 69.90(11) . 31_554 ? Si1 N2 Sr1 75.80(15) 9 36_554 ? Si1 N2 Sr1 162.2(2) 5 36_554 ? Al1 N2 Sr1 54.28(13) 1_554 36_554 ? Sr1 N2 Sr1 72.6(2) . 36_554 ? Pr1 N2 Sr1 69.90(11) . 36_554 ? Sr1 N2 Sr1 88.6(3) 31_554 36_554 ? Si2 N3 Al1 121.36(12) 9_655 5 ? Si2 N3 Al1 121.36(12) 9_655 12_665 ? Al1 N3 Al1 115.1(2) 5 12_665 ? Si2 N3 Sr1 76.2(3) 9_655 28 ? Al1 N3 Sr1 89.9(2) 5 28 ? Al1 N3 Sr1 89.9(2) 12_665 28 ? Si2 N3 Pr1 75.28(18) 9_655 28 ? Al1 N3 Pr1 90.37(19) 5 28 ? Al1 N3 Pr1 90.37(19) 12_665 28 ? Sr1 N3 Pr1 0.9(2) 28 28 ? Si2 N3 Sr2 97.5(2) 9_655 1_655 ? Al1 N3 Sr2 93.52(18) 5 1_655 ? Al1 N3 Sr2 93.52(18) 12_665 1_655 ? Sr1 N3 Sr2 173.7(2) 28 1_655 ? Pr1 N3 Sr2 172.73(14) 28 1_655 ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 39.97 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 2.770 _refine_diff_density_min -0.844 _refine_diff_density_rms 0.186 #=END data_rl3-61 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al12 N36 Nd10 O18 Si18 Sr3' _chemical_formula_weight 3327.00 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'N' 'N' 0.0061 0.0033 '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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sr' 'Sr' -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Nd' 'Nd' -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Cubic _symmetry_space_group_name_H-M I-43m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y, x, z' '-y, -x, z' 'y, -x, -z' '-y, x, -z' 'x, z, y' '-x, z, -y' '-x, -z, y' 'x, -z, -y' 'z, y, x' 'z, -y, -x' '-z, y, -x' '-z, -y, x' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'z+1/2, x+1/2, y+1/2' 'z+1/2, -x+1/2, -y+1/2' '-z+1/2, -x+1/2, y+1/2' '-z+1/2, x+1/2, -y+1/2' 'y+1/2, z+1/2, x+1/2' '-y+1/2, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x+1/2' '-y+1/2, -z+1/2, x+1/2' 'y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, z+1/2, y+1/2' '-x+1/2, z+1/2, -y+1/2' '-x+1/2, -z+1/2, y+1/2' 'x+1/2, -z+1/2, -y+1/2' 'z+1/2, y+1/2, x+1/2' 'z+1/2, -y+1/2, -x+1/2' '-z+1/2, y+1/2, -x+1/2' '-z+1/2, -y+1/2, x+1/2' _cell_length_a 13.3285(6) _cell_length_b 13.3285(6) _cell_length_c 13.3285(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2367.79(18) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 100 _cell_measurement_theta_min 5.29 _cell_measurement_theta_max 14.66 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 4.666 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3036 _exptl_absorpt_coefficient_mu 14.885 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.0216 _exptl_absorpt_correction_T_max 0.0534 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3879 _diffrn_reflns_av_R_equivalents 0.0759 _diffrn_reflns_av_sigmaI/netI 0.0372 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.16 _diffrn_reflns_theta_max 30.01 _reflns_number_total 680 _reflns_number_gt 650 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of 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^)+(0.0215P)^2^+8.7902P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00056(8) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(2) _refine_ls_number_reflns 680 _refine_ls_number_parameters 57 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0271 _refine_ls_R_factor_gt 0.0249 _refine_ls_wR_factor_ref 0.0501 _refine_ls_wR_factor_gt 0.0494 _refine_ls_goodness_of_fit_ref 1.117 _refine_ls_restrained_S_all 1.117 _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 Nd1 Nd 0.62964(7) 0.62964(7) 0.95248(16) 0.0219(2) Uani 0.83(3) 2 d SP . . Sr1 Sr 0.6294(6) 0.6294(6) 0.9372(14) 0.045(5) Uani 0.17(3) 2 d SP . . Sr2 Sr 1.0000 1.0000 1.0000 0.150(4) Uani 1 24 d S . . Si1 Si 0.84962(9) 0.84962(9) 0.68937(14) 0.0156(3) Uani 1 2 d S . . Si2 Si 0.6992(2) 1.0000 1.0000 0.0150(5) Uani 1 4 d S . . Al1 Al 0.79461(10) 0.79461(10) 0.04518(15) 0.0117(3) Uani 1 2 d S . . O1 O 0.7868(3) 0.7868(3) 0.6020(5) 0.0414(16) Uani 1 2 d S . . O2 O 0.7500 0.5000 1.0000 0.0316(17) Uani 1 4 d S . . N1 N 0.9280(3) 0.9280(3) 0.6221(5) 0.0211(11) Uani 1 2 d S . . N2 N 0.7673(3) 0.7673(3) 0.9175(4) 0.0177(11) Uani 1 2 d S . . N3 N 0.0771(4) 0.9229(4) 0.7708(6) 0.0263(14) Uani 1 2 d S . . 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 Nd1 0.0254(3) 0.0254(3) 0.0149(6) 0.00005(18) 0.00005(18) -0.0066(3) Sr1 0.060(6) 0.060(6) 0.013(5) 0.0007(16) 0.0007(16) -0.058(5) Sr2 0.150(4) 0.150(4) 0.150(4) 0.000 0.000 0.000 Si1 0.0150(5) 0.0150(5) 0.0169(7) 0.0004(4) 0.0004(4) -0.0012(6) Si2 0.0132(11) 0.0159(7) 0.0159(7) -0.0011(9) 0.000 0.000 Al1 0.0120(5) 0.0120(5) 0.0112(8) -0.0001(5) -0.0001(5) 0.0003(6) O1 0.048(3) 0.048(3) 0.028(3) -0.0023(17) -0.0023(17) -0.028(3) O2 0.032(4) 0.031(3) 0.031(3) 0.000 0.000 0.000 N1 0.0219(16) 0.0219(16) 0.019(3) -0.0022(16) -0.0022(16) -0.004(2) N2 0.0186(16) 0.0186(16) 0.016(2) 0.0053(15) 0.0053(15) 0.003(2) N3 0.0209(18) 0.0209(18) 0.037(4) 0.012(2) -0.012(2) -0.005(2) _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 Nd1 O2 2.4414(6) 30_466 ? Nd1 O2 2.4414(6) . ? Nd1 N1 2.509(7) 26_665 ? Nd1 O1 2.540(7) 26_665 ? Nd1 N2 2.636(6) . ? Nd1 N1 2.967(4) 28_466 ? Nd1 N1 2.967(4) 27_646 ? Nd1 O1 3.0660(18) 9 ? Nd1 O1 3.0660(18) 5 ? Nd1 N3 3.136(8) 28_566 ? Nd1 Si2 3.172(2) 34_646 ? Nd1 Si1 3.181(3) 26_665 ? Sr1 O2 2.502(6) 30_466 ? Sr1 O2 2.502(6) . ? Sr1 N2 2.612(12) . ? Sr1 N1 2.692(19) 26_665 ? Sr1 O1 2.705(17) 26_665 ? Sr1 N1 2.901(11) 28_466 ? Sr1 N1 2.901(11) 27_646 ? Sr1 O1 2.924(14) 9 ? Sr1 O1 2.924(14) 5 ? Sr1 N3 2.94(2) 28_566 ? Sr1 Si2 3.043(14) 34_646 ? Sr1 Si1 3.258(12) 9 ? Sr2 N3 3.383(8) 12_776 ? Sr2 N3 3.383(8) 8_767 ? Sr2 N3 3.383(8) 4_677 ? Sr2 N3 3.383(8) 10_756 ? Sr2 N3 3.383(8) 9_556 ? Sr2 N3 3.383(8) 6_567 ? Sr2 N3 3.383(8) 5_565 ? Sr2 N3 3.383(8) 2_675 ? Sr2 N3 3.383(8) 1_655 ? Sr2 N3 3.383(8) 11_576 ? Sr2 N3 3.383(8) 7_765 ? Sr2 N3 3.383(8) 3_657 ? Si1 O1 1.661(6) . ? Si1 N1 1.729(6) . ? Si1 N2 1.761(3) 9 ? Si1 N2 1.761(3) 5 ? Si1 Si2 2.8376(16) 9 ? Si1 Nd1 3.181(3) 26_664 ? Si1 Sr1 3.258(12) 9 ? Si1 Sr1 3.258(12) 5 ? Si1 Nd1 3.3332(16) 5 ? Si1 Nd1 3.3332(16) 9 ? Si1 Sr1 3.384(19) 26_664 ? Si1 Sr1 4.103(10) 28_566 ? Si2 N1 1.702(6) 5 ? Si2 N1 1.702(6) 6_577 ? Si2 N3 1.739(6) 6_567 ? Si2 N3 1.739(6) 5_565 ? Si2 Si1 2.8376(17) 5 ? Si2 Si1 2.8376(17) 6_577 ? Si2 Sr1 3.043(14) 32_656 ? Si2 Sr1 3.043(14) 31_665 ? Si2 Nd1 3.172(2) 32_656 ? Si2 Nd1 3.172(2) 31_665 ? Si2 Nd1 4.097(3) 30_466 ? Al1 O1 1.711(6) 26_664 ? Al1 N2 1.778(6) 1_554 ? Al1 N3 1.790(3) 9 ? Al1 N3 1.790(3) 6_566 ? Al1 Nd1 3.346(2) 1_554 ? Al1 Sr1 3.430(13) 1_554 ? Al1 Sr1 3.440(17) 36_664 ? Al1 Sr1 3.440(17) 31_664 ? Al1 Nd1 3.624(2) 36_664 ? Al1 Nd1 3.624(2) 31_664 ? Al1 Sr2 3.9180(18) 1_554 ? O1 Al1 1.711(6) 26_665 ? O1 Nd1 2.540(6) 26_664 ? O1 Sr1 2.705(17) 26_664 ? O1 Sr1 2.924(14) 9 ? O1 Sr1 2.924(14) 5 ? O1 Nd1 3.0660(18) 5 ? O1 Nd1 3.0660(18) 9 ? O2 Nd1 2.4414(6) 36_665 ? O2 Nd1 2.4414(6) 34_646 ? O2 Nd1 2.4414(6) 4_567 ? O2 Sr1 2.502(7) 36_665 ? O2 Sr1 2.502(7) 4_567 ? O2 Sr1 2.502(7) 34_646 ? N1 Si2 1.702(6) 9 ? N1 Nd1 2.509(7) 26_664 ? N1 Sr1 2.692(19) 26_664 ? N1 Sr1 2.901(11) 28_566 ? N1 Sr1 2.901(11) 27_656 ? N1 Nd1 2.967(4) 28_566 ? N1 Nd1 2.967(4) 27_656 ? N1 Sr1 3.983(9) 9 ? N1 Sr1 3.983(9) 5 ? N1 Nd1 3.992(4) 5 ? N1 Nd1 3.992(4) 9 ? N2 Si1 1.761(3) 9 ? N2 Si1 1.761(3) 5 ? N2 Al1 1.778(6) 1_556 ? N2 Sr1 4.160(14) 31_665 ? N2 Sr1 4.160(14) 36_665 ? N3 Si2 1.739(6) 9_455 ? N3 Al1 1.790(3) 12_665 ? N3 Al1 1.790(3) 5 ? N3 Sr1 2.94(2) 28_466 ? N3 Nd1 3.136(8) 28_466 ? N3 Sr2 3.383(8) 1_455 ? 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 O2 Nd1 O2 149.64(10) 30_466 . ? O2 Nd1 N1 75.56(5) 30_466 26_665 ? O2 Nd1 N1 75.56(5) . 26_665 ? O2 Nd1 O1 79.56(5) 30_466 26_665 ? O2 Nd1 O1 79.56(5) . 26_665 ? N1 Nd1 O1 64.0(2) 26_665 26_665 ? O2 Nd1 N2 94.65(4) 30_466 . ? O2 Nd1 N2 94.65(4) . . ? N1 Nd1 N2 125.9(2) 26_665 . ? O1 Nd1 N2 61.85(19) 26_665 . ? O2 Nd1 N1 67.43(11) 30_466 28_466 ? O2 Nd1 N1 119.92(11) . 28_466 ? N1 Nd1 N1 86.9(2) 26_665 28_466 ? O1 Nd1 N1 140.71(15) 26_665 28_466 ? N2 Nd1 N1 138.72(14) . 28_466 ? O2 Nd1 N1 119.92(11) 30_466 27_646 ? O2 Nd1 N1 67.43(11) . 27_646 ? N1 Nd1 N1 86.9(2) 26_665 27_646 ? O1 Nd1 N1 140.71(15) 26_665 27_646 ? N2 Nd1 N1 138.72(14) . 27_646 ? N1 Nd1 N1 54.42(19) 28_466 27_646 ? O2 Nd1 O1 138.53(13) 30_466 9 ? O2 Nd1 O1 69.69(12) . 9 ? N1 Nd1 O1 145.25(12) 26_665 9 ? O1 Nd1 O1 108.55(4) 26_665 9 ? N2 Nd1 O1 58.73(16) . 9 ? N1 Nd1 O1 110.25(16) 28_466 9 ? N1 Nd1 O1 80.01(15) 27_646 9 ? O2 Nd1 O1 69.69(12) 30_466 5 ? O2 Nd1 O1 138.53(13) . 5 ? N1 Nd1 O1 145.25(12) 26_665 5 ? O1 Nd1 O1 108.55(4) 26_665 5 ? N2 Nd1 O1 58.73(16) . 5 ? N1 Nd1 O1 80.01(15) 28_466 5 ? N1 Nd1 O1 110.25(16) 27_646 5 ? O1 Nd1 O1 69.2(2) 9 5 ? O2 Nd1 N3 103.58(5) 30_466 28_566 ? O2 Nd1 N3 103.58(5) . 28_566 ? N1 Nd1 N3 135.92(18) 26_665 28_566 ? O1 Nd1 N3 160.06(19) 26_665 28_566 ? N2 Nd1 N3 98.21(17) . 28_566 ? N1 Nd1 N3 54.69(15) 28_466 28_566 ? N1 Nd1 N3 54.69(15) 27_646 28_566 ? O1 Nd1 N3 56.08(14) 9 28_566 ? O1 Nd1 N3 56.08(14) 5 28_566 ? O2 Nd1 Si2 97.92(4) 30_466 34_646 ? O2 Nd1 Si2 97.92(4) . 34_646 ? N1 Nd1 Si2 103.92(15) 26_665 34_646 ? O1 Nd1 Si2 167.94(15) 26_665 34_646 ? N2 Nd1 Si2 130.21(14) . 34_646 ? N1 Nd1 Si2 31.96(11) 28_466 34_646 ? N1 Nd1 Si2 31.96(11) 27_646 34_646 ? O1 Nd1 Si2 81.22(12) 9 34_646 ? O1 Nd1 Si2 81.22(12) 5 34_646 ? N3 Nd1 Si2 32.00(12) 28_566 34_646 ? O2 Nd1 Si1 75.34(5) 30_466 26_665 ? O2 Nd1 Si1 75.34(5) . 26_665 ? N1 Nd1 Si1 32.74(14) 26_665 26_665 ? O1 Nd1 Si1 31.28(14) 26_665 26_665 ? N2 Nd1 Si1 93.13(13) . 26_665 ? N1 Nd1 Si1 115.72(13) 28_466 26_665 ? N1 Nd1 Si1 115.72(13) 27_646 26_665 ? O1 Nd1 Si1 131.76(12) 9 26_665 ? O1 Nd1 Si1 131.76(12) 5 26_665 ? N3 Nd1 Si1 168.66(13) 28_566 26_665 ? Si2 Nd1 Si1 136.66(7) 34_646 26_665 ? O2 Sr1 O2 140.7(8) 30_466 . ? O2 Sr1 N2 93.8(3) 30_466 . ? O2 Sr1 N2 93.8(3) . . ? O2 Sr1 N1 71.4(4) 30_466 26_665 ? O2 Sr1 N1 71.4(4) . 26_665 ? N2 Sr1 N1 119.5(7) . 26_665 ? O2 Sr1 O1 75.4(4) 30_466 26_665 ? O2 Sr1 O1 75.4(4) . 26_665 ? N2 Sr1 O1 60.0(3) . 26_665 ? N1 Sr1 O1 59.4(4) 26_665 26_665 ? O2 Sr1 N1 67.84(19) 30_466 28_466 ? O2 Sr1 N1 120.2(4) . 28_466 ? N2 Sr1 N1 144.0(5) . 28_466 ? N1 Sr1 N1 84.9(4) 26_665 28_466 ? O1 Sr1 N1 135.4(6) 26_665 28_466 ? O2 Sr1 N1 120.2(4) 30_466 27_646 ? O2 Sr1 N1 67.84(19) . 27_646 ? N2 Sr1 N1 144.0(5) . 27_646 ? N1 Sr1 N1 84.9(4) 26_665 27_646 ? O1 Sr1 N1 135.4(6) 26_665 27_646 ? N1 Sr1 N1 55.7(3) 28_466 27_646 ? O2 Sr1 O1 143.5(6) 30_466 9 ? O2 Sr1 O1 71.5(2) . 9 ? N2 Sr1 O1 61.0(3) . 9 ? N1 Sr1 O1 142.8(3) 26_665 9 ? O1 Sr1 O1 108.2(3) 26_665 9 ? N1 Sr1 O1 116.3(6) 28_466 9 ? N1 Sr1 O1 83.5(4) 27_646 9 ? O2 Sr1 O1 71.5(2) 30_466 5 ? O2 Sr1 O1 143.5(6) . 5 ? N2 Sr1 O1 61.0(3) . 5 ? N1 Sr1 O1 142.8(3) 26_665 5 ? O1 Sr1 O1 108.2(3) 26_665 5 ? N1 Sr1 O1 83.5(4) 28_466 5 ? N1 Sr1 O1 116.3(6) 27_646 5 ? O1 Sr1 O1 73.1(5) 9 5 ? O2 Sr1 N3 107.7(4) 30_466 28_566 ? O2 Sr1 N3 107.7(4) . 28_566 ? N2 Sr1 N3 103.8(6) . 28_566 ? N1 Sr1 N3 136.7(4) 26_665 28_566 ? O1 Sr1 N3 163.9(6) 26_665 28_566 ? N1 Sr1 N3 57.4(3) 28_466 28_566 ? N1 Sr1 N3 57.4(3) 27_646 28_566 ? O1 Sr1 N3 59.6(4) 9 28_566 ? O1 Sr1 N3 59.6(4) 5 28_566 ? O2 Sr1 Si2 100.0(3) 30_466 34_646 ? O2 Sr1 Si2 100.0(3) . 34_646 ? N2 Sr1 Si2 137.5(7) . 34_646 ? N1 Sr1 Si2 103.0(4) 26_665 34_646 ? O1 Sr1 Si2 162.4(7) 26_665 34_646 ? N1 Sr1 Si2 33.16(19) 28_466 34_646 ? N1 Sr1 Si2 33.16(19) 27_646 34_646 ? O1 Sr1 Si2 85.8(5) 9 34_646 ? O1 Sr1 Si2 85.8(5) 5 34_646 ? N3 Sr1 Si2 33.7(2) 28_566 34_646 ? O2 Sr1 Si1 125.7(4) 30_466 9 ? O2 Sr1 Si1 73.16(18) . 9 ? N2 Sr1 Si1 32.62(16) . 9 ? N1 Sr1 Si1 130.9(5) 26_665 9 ? O1 Sr1 Si1 79.5(3) 26_665 9 ? N1 Sr1 Si1 143.2(7) 28_466 9 ? N1 Sr1 Si1 111.5(3) 27_646 9 ? O1 Sr1 Si1 30.57(17) 9 9 ? O1 Sr1 Si1 72.0(4) 5 9 ? N3 Sr1 Si1 86.2(5) 28_566 9 ? Si2 Sr1 Si1 115.8(5) 34_646 9 ? N3 Sr2 N3 50.13(17) 12_776 8_767 ? N3 Sr2 N3 50.13(17) 12_776 4_677 ? N3 Sr2 N3 50.13(17) 8_767 4_677 ? N3 Sr2 N3 144.62(14) 12_776 10_756 ? N3 Sr2 N3 95.30(4) 8_767 10_756 ? N3 Sr2 N3 117.16(6) 4_677 10_756 ? N3 Sr2 N3 144.62(14) 12_776 9_556 ? N3 Sr2 N3 117.16(6) 8_767 9_556 ? N3 Sr2 N3 95.30(4) 4_677 9_556 ? N3 Sr2 N3 50.9(2) 10_756 9_556 ? N3 Sr2 N3 117.16(6) 12_776 6_567 ? N3 Sr2 N3 144.62(14) 8_767 6_567 ? N3 Sr2 N3 95.30(4) 4_677 6_567 ? N3 Sr2 N3 95.30(4) 10_756 6_567 ? N3 Sr2 N3 50.13(17) 9_556 6_567 ? N3 Sr2 N3 95.30(4) 12_776 5_565 ? N3 Sr2 N3 144.62(14) 8_767 5_565 ? N3 Sr2 N3 117.16(6) 4_677 5_565 ? N3 Sr2 N3 117.16(6) 10_756 5_565 ? N3 Sr2 N3 95.30(4) 9_556 5_565 ? N3 Sr2 N3 50.9(2) 6_567 5_565 ? N3 Sr2 N3 95.30(4) 12_776 2_675 ? N3 Sr2 N3 117.16(6) 8_767 2_675 ? N3 Sr2 N3 144.62(14) 4_677 2_675 ? N3 Sr2 N3 95.30(4) 10_756 2_675 ? N3 Sr2 N3 117.16(6) 9_556 2_675 ? N3 Sr2 N3 95.30(4) 6_567 2_675 ? N3 Sr2 N3 50.13(17) 5_565 2_675 ? N3 Sr2 N3 117.16(6) 12_776 1_655 ? N3 Sr2 N3 95.30(4) 8_767 1_655 ? N3 Sr2 N3 144.62(14) 4_677 1_655 ? N3 Sr2 N3 50.13(17) 10_756 1_655 ? N3 Sr2 N3 95.30(4) 9_556 1_655 ? N3 Sr2 N3 117.16(6) 6_567 1_655 ? N3 Sr2 N3 95.30(4) 5_565 1_655 ? N3 Sr2 N3 50.9(2) 2_675 1_655 ? N3 Sr2 N3 50.9(2) 12_776 11_576 ? N3 Sr2 N3 95.30(4) 8_767 11_576 ? N3 Sr2 N3 95.30(4) 4_677 11_576 ? N3 Sr2 N3 144.62(14) 10_756 11_576 ? N3 Sr2 N3 144.62(14) 9_556 11_576 ? N3 Sr2 N3 95.30(4) 6_567 11_576 ? N3 Sr2 N3 50.13(17) 5_565 11_576 ? N3 Sr2 N3 50.13(17) 2_675 11_576 ? N3 Sr2 N3 95.30(4) 1_655 11_576 ? N3 Sr2 N3 95.30(4) 12_776 7_765 ? N3 Sr2 N3 50.9(2) 8_767 7_765 ? N3 Sr2 N3 95.30(4) 4_677 7_765 ? N3 Sr2 N3 50.13(17) 10_756 7_765 ? N3 Sr2 N3 95.30(4) 9_556 7_765 ? N3 Sr2 N3 144.62(14) 6_567 7_765 ? N3 Sr2 N3 144.62(14) 5_565 7_765 ? N3 Sr2 N3 95.30(4) 2_675 7_765 ? N3 Sr2 N3 50.13(17) 1_655 7_765 ? N3 Sr2 N3 117.16(6) 11_576 7_765 ? N3 Sr2 N3 95.30(4) 12_776 3_657 ? N3 Sr2 N3 95.30(4) 8_767 3_657 ? N3 Sr2 N3 50.9(2) 4_677 3_657 ? N3 Sr2 N3 95.30(4) 10_756 3_657 ? N3 Sr2 N3 50.13(17) 9_556 3_657 ? N3 Sr2 N3 50.13(17) 6_567 3_657 ? N3 Sr2 N3 95.30(4) 5_565 3_657 ? N3 Sr2 N3 144.62(14) 2_675 3_657 ? N3 Sr2 N3 144.62(14) 1_655 3_657 ? N3 Sr2 N3 117.16(6) 11_576 3_657 ? N3 Sr2 N3 117.16(6) 7_765 3_657 ? O1 Si1 N1 104.3(3) . . ? O1 Si1 N2 111.0(2) . 9 ? N1 Si1 N2 111.8(2) . 9 ? O1 Si1 N2 111.0(2) . 5 ? N1 Si1 N2 111.8(2) . 5 ? N2 Si1 N2 107.0(4) 9 5 ? O1 Si1 Si2 138.1(2) . 9 ? N1 Si1 Si2 33.9(2) . 9 ? N2 Si1 Si2 92.86(19) 9 9 ? N2 Si1 Si2 92.86(19) 5 9 ? O1 Si1 Nd1 52.5(2) . 26_664 ? N1 Si1 Nd1 51.7(2) . 26_664 ? N2 Si1 Nd1 126.50(18) 9 26_664 ? N2 Si1 Nd1 126.50(18) 5 26_664 ? Si2 Si1 Nd1 85.59(8) 9 26_664 ? O1 Si1 Sr1 63.5(3) . 9 ? N1 Si1 Sr1 101.6(2) . 9 ? N2 Si1 Sr1 53.1(2) 9 9 ? N2 Si1 Sr1 146.2(3) 5 9 ? Si2 Si1 Sr1 113.2(3) 9 9 ? Nd1 Si1 Sr1 78.69(11) 26_664 9 ? O1 Si1 Sr1 63.5(3) . 5 ? N1 Si1 Sr1 101.6(3) . 5 ? N2 Si1 Sr1 146.2(3) 9 5 ? N2 Si1 Sr1 53.1(2) 5 5 ? Si2 Si1 Sr1 113.2(3) 9 5 ? Nd1 Si1 Sr1 78.69(11) 26_664 5 ? Sr1 Si1 Sr1 125.8(6) 9 5 ? O1 Si1 Nd1 66.20(4) . 5 ? N1 Si1 Nd1 99.17(9) . 5 ? N2 Si1 Nd1 148.11(18) 9 5 ? N2 Si1 Nd1 51.79(19) 5 5 ? Si2 Si1 Nd1 109.99(5) 9 5 ? Nd1 Si1 Nd1 78.68(3) 26_664 5 ? Sr1 Si1 Nd1 128.8(3) 9 5 ? Sr1 Si1 Nd1 3.3(4) 5 5 ? O1 Si1 Nd1 66.20(4) . 9 ? N1 Si1 Nd1 99.17(9) . 9 ? N2 Si1 Nd1 51.79(19) 9 9 ? N2 Si1 Nd1 148.11(18) 5 9 ? Si2 Si1 Nd1 109.99(5) 9 9 ? Nd1 Si1 Nd1 78.68(3) 26_664 9 ? Sr1 Si1 Nd1 3.3(4) 9 9 ? Sr1 Si1 Nd1 128.8(3) 5 9 ? Nd1 Si1 Nd1 131.81(8) 5 9 ? O1 Si1 Sr1 52.2(3) . 26_664 ? N1 Si1 Sr1 52.1(3) . 26_664 ? N2 Si1 Sr1 126.50(18) 9 26_664 ? N2 Si1 Sr1 126.50(18) 5 26_664 ? Si2 Si1 Sr1 86.0(2) 9 26_664 ? Nd1 Si1 Sr1 0.4(2) 26_664 26_664 ? Sr1 Si1 Sr1 78.54(4) 9 26_664 ? Sr1 Si1 Sr1 78.54(4) 5 26_664 ? Nd1 Si1 Sr1 78.55(9) 5 26_664 ? Nd1 Si1 Sr1 78.55(9) 9 26_664 ? O1 Si1 Sr1 101.8(3) . 28_566 ? N1 Si1 Sr1 36.49(16) . 28_566 ? N2 Si1 Sr1 140.7(2) 9 28_566 ? N2 Si1 Sr1 79.5(3) 5 28_566 ? Si2 Si1 Sr1 47.85(15) 9 28_566 ? Nd1 Si1 Sr1 60.5(2) 26_664 28_566 ? Sr1 Si1 Sr1 133.9(4) 9 28_566 ? Sr1 Si1 Sr1 68.6(3) 5 28_566 ? Nd1 Si1 Sr1 65.65(12) 5 28_566 ? Nd1 Si1 Sr1 132.3(2) 9 28_566 ? Sr1 Si1 Sr1 60.7(3) 26_664 28_566 ? N1 Si2 N1 105.7(5) 5 6_577 ? N1 Si2 N3 109.35(17) 5 6_567 ? N1 Si2 N3 109.35(17) 6_577 6_567 ? N1 Si2 N3 109.35(17) 5 5_565 ? N1 Si2 N3 109.35(17) 6_577 5_565 ? N3 Si2 N3 113.4(6) 6_567 5_565 ? N1 Si2 Si1 34.5(2) 5 5 ? N1 Si2 Si1 140.2(3) 6_577 5 ? N3 Si2 Si1 91.45(3) 6_567 5 ? N3 Si2 Si1 91.45(3) 5_565 5 ? N1 Si2 Si1 140.2(3) 5 6_577 ? N1 Si2 Si1 34.5(2) 6_577 6_577 ? N3 Si2 Si1 91.45(3) 6_567 6_577 ? N3 Si2 Si1 91.45(4) 5_565 6_577 ? Si1 Si2 Si1 174.70(13) 5 6_577 ? N1 Si2 Sr1 68.9(2) 5 32_656 ? N1 Si2 Sr1 68.9(2) 6_577 32_656 ? N3 Si2 Sr1 176.6(5) 6_567 32_656 ? N3 Si2 Sr1 70.0(4) 5_565 32_656 ? Si1 Si2 Sr1 88.42(4) 5 32_656 ? Si1 Si2 Sr1 88.42(4) 6_577 32_656 ? N1 Si2 Sr1 68.9(2) 5 31_665 ? N1 Si2 Sr1 68.9(2) 6_577 31_665 ? N3 Si2 Sr1 70.0(4) 6_567 31_665 ? N3 Si2 Sr1 176.6(4) 5_565 31_665 ? Si1 Si2 Sr1 88.42(4) 5 31_665 ? Si1 Si2 Sr1 88.42(4) 6_577 31_665 ? Sr1 Si2 Sr1 106.6(7) 32_656 31_665 ? N1 Si2 Nd1 67.36(13) 5 32_656 ? N1 Si2 Nd1 67.36(13) 6_577 32_656 ? N3 Si2 Nd1 173.7(3) 6_567 32_656 ? N3 Si2 Nd1 72.9(3) 5_565 32_656 ? Si1 Si2 Nd1 88.31(4) 5 32_656 ? Si1 Si2 Nd1 88.31(4) 6_577 32_656 ? Sr1 Si2 Nd1 2.9(4) 32_656 32_656 ? Sr1 Si2 Nd1 103.7(3) 31_665 32_656 ? N1 Si2 Nd1 67.36(13) 5 31_665 ? N1 Si2 Nd1 67.36(13) 6_577 31_665 ? N3 Si2 Nd1 72.9(3) 6_567 31_665 ? N3 Si2 Nd1 173.7(3) 5_565 31_665 ? Si1 Si2 Nd1 88.31(4) 5 31_665 ? Si1 Si2 Nd1 88.31(4) 6_577 31_665 ? Sr1 Si2 Nd1 103.7(3) 32_656 31_665 ? Sr1 Si2 Nd1 2.9(4) 31_665 31_665 ? Nd1 Si2 Nd1 100.79(10) 32_656 31_665 ? N1 Si2 Sr2 127.1(2) 5 . ? N1 Si2 Sr2 127.1(2) 6_577 . ? N3 Si2 Sr2 56.7(3) 6_567 . ? N3 Si2 Sr2 56.7(3) 5_565 . ? Si1 Si2 Sr2 92.65(7) 5 . ? Si1 Si2 Sr2 92.65(7) 6_577 . ? Sr1 Si2 Sr2 126.7(3) 32_656 . ? Sr1 Si2 Sr2 126.7(3) 31_665 . ? Nd1 Si2 Sr2 129.60(5) 32_656 . ? Nd1 Si2 Sr2 129.60(5) 31_665 . ? N1 Si2 Nd1 16.2(2) 5 30_466 ? N1 Si2 Nd1 89.5(2) 6_577 30_466 ? N3 Si2 Nd1 116.1(2) 6_567 30_466 ? N3 Si2 Nd1 116.1(2) 5_565 30_466 ? Si1 Si2 Nd1 50.73(6) 5 30_466 ? Si1 Si2 Nd1 123.96(9) 6_577 30_466 ? Sr1 Si2 Nd1 61.3(2) 32_656 30_466 ? Sr1 Si2 Nd1 61.3(2) 31_665 30_466 ? Nd1 Si2 Nd1 59.22(4) 32_656 30_466 ? Nd1 Si2 Nd1 59.22(4) 31_665 30_466 ? Sr2 Si2 Nd1 143.38(3) . 30_466 ? O1 Al1 N2 99.4(3) 26_664 1_554 ? O1 Al1 N3 112.8(3) 26_664 9 ? N2 Al1 N3 112.8(2) 1_554 9 ? O1 Al1 N3 112.8(3) 26_664 6_566 ? N2 Al1 N3 112.8(2) 1_554 6_566 ? N3 Al1 N3 106.4(5) 9 6_566 ? O1 Al1 Nd1 47.9(2) 26_664 1_554 ? N2 Al1 Nd1 51.5(2) 1_554 1_554 ? N3 Al1 Nd1 126.8(2) 9 1_554 ? N3 Al1 Nd1 126.8(2) 6_566 1_554 ? O1 Al1 Sr1 51.1(4) 26_664 1_554 ? N2 Al1 Sr1 48.4(4) 1_554 1_554 ? N3 Al1 Sr1 126.8(2) 9 1_554 ? N3 Al1 Sr1 126.8(2) 6_566 1_554 ? Nd1 Al1 Sr1 3.1(3) 1_554 1_554 ? O1 Al1 Sr1 58.17(18) 26_664 36_664 ? N2 Al1 Sr1 100.88(19) 1_554 36_664 ? N3 Al1 Sr1 58.8(3) 9 36_664 ? N3 Al1 Sr1 146.3(2) 6_566 36_664 ? Nd1 Al1 Sr1 73.96(13) 1_554 36_664 ? Sr1 Al1 Sr1 75.5(3) 1_554 36_664 ? O1 Al1 Sr1 58.17(18) 26_664 31_664 ? N2 Al1 Sr1 100.88(19) 1_554 31_664 ? N3 Al1 Sr1 146.3(2) 9 31_664 ? N3 Al1 Sr1 58.8(3) 6_566 31_664 ? Nd1 Al1 Sr1 73.96(13) 1_554 31_664 ? Sr1 Al1 Sr1 75.5(3) 1_554 31_664 ? Sr1 Al1 Sr1 115.0(4) 36_664 31_664 ? O1 Al1 Nd1 57.51(4) 26_664 36_664 ? N2 Al1 Nd1 99.69(11) 1_554 36_664 ? N3 Al1 Nd1 59.9(3) 9 36_664 ? N3 Al1 Nd1 147.49(18) 6_566 36_664 ? Nd1 Al1 Nd1 72.58(4) 1_554 36_664 ? Sr1 Al1 Nd1 74.09(14) 1_554 36_664 ? Sr1 Al1 Nd1 1.41(15) 36_664 36_664 ? Sr1 Al1 Nd1 114.60(17) 31_664 36_664 ? O1 Al1 Nd1 57.51(4) 26_664 31_664 ? N2 Al1 Nd1 99.69(11) 1_554 31_664 ? N3 Al1 Nd1 147.49(18) 9 31_664 ? N3 Al1 Nd1 59.9(3) 6_566 31_664 ? Nd1 Al1 Nd1 72.58(4) 1_554 31_664 ? Sr1 Al1 Nd1 74.09(14) 1_554 31_664 ? Sr1 Al1 Nd1 114.60(17) 36_664 31_664 ? Sr1 Al1 Nd1 1.41(15) 31_664 31_664 ? Nd1 Al1 Nd1 114.20(6) 36_664 31_664 ? O1 Al1 Sr2 162.6(2) 26_664 1_554 ? N2 Al1 Sr2 98.0(2) 1_554 1_554 ? N3 Al1 Sr2 59.5(3) 9 1_554 ? N3 Al1 Sr2 59.5(3) 6_566 1_554 ? Nd1 Al1 Sr2 149.49(7) 1_554 1_554 ? Sr1 Al1 Sr2 146.4(3) 1_554 1_554 ? Sr1 Al1 Sr2 118.17(16) 36_664 1_554 ? Sr1 Al1 Sr2 118.17(16) 31_664 1_554 ? Nd1 Al1 Sr2 119.21(3) 36_664 1_554 ? Nd1 Al1 Sr2 119.21(3) 31_664 1_554 ? Si1 O1 Al1 161.8(4) . 26_665 ? Si1 O1 Nd1 96.2(3) . 26_664 ? Al1 O1 Nd1 102.1(3) 26_665 26_664 ? Si1 O1 Sr1 98.8(4) . 26_664 ? Al1 O1 Sr1 99.5(4) 26_665 26_664 ? Nd1 O1 Sr1 2.6(4) 26_664 26_664 ? Si1 O1 Sr1 85.9(3) . 9 ? Al1 O1 Sr1 92.0(3) 26_665 9 ? Nd1 O1 Sr1 96.4(2) 26_664 9 ? Sr1 O1 Sr1 96.6(3) 26_664 9 ? Si1 O1 Sr1 85.9(3) . 5 ? Al1 O1 Sr1 92.0(3) 26_665 5 ? Nd1 O1 Sr1 96.4(2) 26_664 5 ? Sr1 O1 Sr1 96.6(3) 26_664 5 ? Sr1 O1 Sr1 165.4(4) 9 5 ? Si1 O1 Nd1 84.08(12) . 5 ? Al1 O1 Nd1 94.41(11) 26_665 5 ? Nd1 O1 Nd1 94.47(12) 26_664 5 ? Sr1 O1 Nd1 94.72(11) 26_664 5 ? Sr1 O1 Nd1 165.9(3) 9 5 ? Sr1 O1 Nd1 2.8(3) 5 5 ? Si1 O1 Nd1 84.08(12) . 9 ? Al1 O1 Nd1 94.41(11) 26_665 9 ? Nd1 O1 Nd1 94.47(12) 26_664 9 ? Sr1 O1 Nd1 94.72(11) 26_664 9 ? Sr1 O1 Nd1 2.8(3) 9 9 ? Sr1 O1 Nd1 165.9(3) 5 9 ? Nd1 O1 Nd1 165.9(2) 5 9 ? Nd1 O2 Nd1 97.84(7) 36_665 34_646 ? Nd1 O2 Nd1 115.58(4) 36_665 . ? Nd1 O2 Nd1 115.58(4) 34_646 . ? Nd1 O2 Nd1 115.58(4) 36_665 4_567 ? Nd1 O2 Nd1 115.58(4) 34_646 4_567 ? Nd1 O2 Nd1 97.84(7) . 4_567 ? Nd1 O2 Sr1 4.5(5) 36_665 36_665 ? Nd1 O2 Sr1 98.8(2) 34_646 36_665 ? Nd1 O2 Sr1 111.4(4) . 36_665 ? Nd1 O2 Sr1 118.7(4) 4_567 36_665 ? Nd1 O2 Sr1 111.4(4) 36_665 4_567 ? Nd1 O2 Sr1 118.7(4) 34_646 4_567 ? Nd1 O2 Sr1 98.8(2) . 4_567 ? Nd1 O2 Sr1 4.5(5) 4_567 4_567 ? Sr1 O2 Sr1 114.4(3) 36_665 4_567 ? Nd1 O2 Sr1 98.8(2) 36_665 34_646 ? Nd1 O2 Sr1 4.5(5) 34_646 34_646 ? Nd1 O2 Sr1 118.7(4) . 34_646 ? Nd1 O2 Sr1 111.4(4) 4_567 34_646 ? Sr1 O2 Sr1 100.1(6) 36_665 34_646 ? Sr1 O2 Sr1 114.4(3) 4_567 34_646 ? Nd1 O2 Sr1 118.7(4) 36_665 . ? Nd1 O2 Sr1 111.4(4) 34_646 . ? Nd1 O2 Sr1 4.5(5) . . ? Nd1 O2 Sr1 98.8(2) 4_567 . ? Sr1 O2 Sr1 114.4(3) 36_665 . ? Sr1 O2 Sr1 100.1(6) 4_567 . ? Sr1 O2 Sr1 114.4(3) 34_646 . ? Si2 N1 Si1 111.6(4) 9 . ? Si2 N1 Nd1 152.8(3) 9 26_664 ? Si1 N1 Nd1 95.5(2) . 26_664 ? Si2 N1 Sr1 150.9(4) 9 26_664 ? Si1 N1 Sr1 97.5(4) . 26_664 ? Nd1 N1 Sr1 2.0(3) 26_664 26_664 ? Si2 N1 Sr1 78.0(3) 9 28_566 ? Si1 N1 Sr1 122.8(2) . 28_566 ? Nd1 N1 Sr1 87.5(4) 26_664 28_566 ? Sr1 N1 Sr1 86.5(3) 26_664 28_566 ? Si2 N1 Sr1 78.0(3) 9 27_656 ? Si1 N1 Sr1 122.8(2) . 27_656 ? Nd1 N1 Sr1 87.5(4) 26_664 27_656 ? Sr1 N1 Sr1 86.5(3) 26_664 27_656 ? Sr1 N1 Sr1 114.5(4) 28_566 27_656 ? Si2 N1 Nd1 80.67(14) 9 28_566 ? Si1 N1 Nd1 124.39(10) . 28_566 ? Nd1 N1 Nd1 84.03(15) 26_664 28_566 ? Sr1 N1 Nd1 82.9(2) 26_664 28_566 ? Sr1 N1 Nd1 3.8(4) 28_566 28_566 ? Sr1 N1 Nd1 112.8(3) 27_656 28_566 ? Si2 N1 Nd1 80.67(14) 9 27_656 ? Si1 N1 Nd1 124.39(10) . 27_656 ? Nd1 N1 Nd1 84.03(15) 26_664 27_656 ? Sr1 N1 Nd1 82.9(2) 26_664 27_656 ? Sr1 N1 Nd1 112.8(3) 28_566 27_656 ? Sr1 N1 Nd1 3.8(4) 27_656 27_656 ? Nd1 N1 Nd1 110.9(2) 28_566 27_656 ? Si2 N1 Sr1 122.1(3) 9 9 ? Si1 N1 Sr1 53.2(2) . 9 ? Nd1 N1 Sr1 74.05(19) 26_664 9 ? Sr1 N1 Sr1 75.33(11) 26_664 9 ? Sr1 N1 Sr1 159.9(2) 28_566 9 ? Sr1 N1 Sr1 73.4(2) 27_656 9 ? Nd1 N1 Sr1 157.1(3) 28_566 9 ? Nd1 N1 Sr1 73.8(3) 27_656 9 ? Si2 N1 Sr1 122.1(3) 9 5 ? Si1 N1 Sr1 53.2(2) . 5 ? Nd1 N1 Sr1 74.05(19) 26_664 5 ? Sr1 N1 Sr1 75.33(11) 26_664 5 ? Sr1 N1 Sr1 73.4(2) 28_566 5 ? Sr1 N1 Sr1 159.9(2) 27_656 5 ? Nd1 N1 Sr1 73.8(3) 28_566 5 ? Nd1 N1 Sr1 157.1(3) 27_656 5 ? Sr1 N1 Sr1 93.5(6) 9 5 ? Si2 N1 Nd1 120.03(16) 9 5 ? Si1 N1 Nd1 55.52(9) . 5 ? Nd1 N1 Nd1 75.07(10) 26_664 5 ? Sr1 N1 Nd1 76.3(2) 26_664 5 ? Sr1 N1 Nd1 70.62(14) 28_566 5 ? Sr1 N1 Nd1 161.8(4) 27_656 5 ? Nd1 N1 Nd1 71.11(4) 28_566 5 ? Nd1 N1 Nd1 158.8(2) 27_656 5 ? Sr1 N1 Nd1 96.4(3) 9 5 ? Sr1 N1 Nd1 2.9(3) 5 5 ? Si2 N1 Nd1 120.03(16) 9 9 ? Si1 N1 Nd1 55.52(9) . 9 ? Nd1 N1 Nd1 75.07(10) 26_664 9 ? Sr1 N1 Nd1 76.3(2) 26_664 9 ? Sr1 N1 Nd1 161.8(4) 28_566 9 ? Sr1 N1 Nd1 70.62(14) 27_656 9 ? Nd1 N1 Nd1 158.8(2) 28_566 9 ? Nd1 N1 Nd1 71.11(4) 27_656 9 ? Sr1 N1 Nd1 2.9(3) 9 9 ? Sr1 N1 Nd1 96.4(3) 5 9 ? Nd1 N1 Nd1 99.32(14) 5 9 ? Si1 N2 Si1 118.1(3) 9 5 ? Si1 N2 Al1 119.01(19) 9 1_556 ? Si1 N2 Al1 119.01(19) 5 1_556 ? Si1 N2 Sr1 94.3(3) 9 . ? Si1 N2 Sr1 94.3(3) 5 . ? Al1 N2 Sr1 101.1(5) 1_556 . ? Si1 N2 Nd1 96.5(2) 9 . ? Si1 N2 Nd1 96.5(2) 5 . ? Al1 N2 Nd1 96.6(2) 1_556 . ? Sr1 N2 Nd1 4.4(5) . . ? Si1 N2 Sr1 162.2(3) 9 31_665 ? Si1 N2 Sr1 75.9(2) 5 31_665 ? Al1 N2 Sr1 54.3(2) 1_556 31_665 ? Sr1 N2 Sr1 72.8(5) . 31_665 ? Nd1 N2 Sr1 69.77(17) . 31_665 ? Si1 N2 Sr1 75.9(2) 9 36_665 ? Si1 N2 Sr1 162.2(3) 5 36_665 ? Al1 N2 Sr1 54.3(2) 1_556 36_665 ? Sr1 N2 Sr1 72.8(5) . 36_665 ? Nd1 N2 Sr1 69.77(17) . 36_665 ? Sr1 N2 Sr1 88.4(4) 31_665 36_665 ? Si2 N3 Al1 121.41(18) 9_455 12_665 ? Si2 N3 Al1 121.41(18) 9_455 5 ? Al1 N3 Al1 115.0(3) 12_665 5 ? Si2 N3 Sr1 76.3(4) 9_455 28_466 ? Al1 N3 Sr1 89.8(3) 12_665 28_466 ? Al1 N3 Sr1 89.8(3) 5 28_466 ? Si2 N3 Nd1 75.1(3) 9_455 28_466 ? Al1 N3 Nd1 90.5(3) 12_665 28_466 ? Al1 N3 Nd1 90.5(3) 5 28_466 ? Sr1 N3 Nd1 1.2(3) 28_466 28_466 ? Si2 N3 Sr2 97.8(3) 9_455 1_455 ? Al1 N3 Sr2 93.3(3) 12_665 1_455 ? Al1 N3 Sr2 93.3(3) 5 1_455 ? Sr1 N3 Sr2 174.1(3) 28_466 1_455 ? Nd1 N3 Sr2 172.9(2) 28_466 1_455 ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 30.01 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.797 _refine_diff_density_min -0.546 _refine_diff_density_rms 0.131 #=END