#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000120.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3000120 loop_ _publ_author_name 'Bubnova, Rimma' 'Volkov, Sergey' 'Barbara Albert' 'Filatov, Stanislav' _publ_section_title ; Borates--Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations ; _journal_issue 3 _journal_name_full Crystals _journal_page_first 93 _journal_paper_doi 10.3390/cryst7030093 _journal_volume 7 _journal_year 2017 _chemical_formula_sum 'B3 Li O5' _chemical_formula_weight 119.4 _space_group_IT_number 33 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.4605(11) _cell_length_b 7.3809(16) _cell_length_c 5.1703(19) _cell_measurement_temperature 248 _cell_volume 322.87(14) _diffrn_ambient_temperature 248 _diffrn_measured_fraction_theta_full 0.99 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'IPDS Stoe' _diffrn_measurement_method '??integration method??' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0647 _diffrn_reflns_av_unetI/netI 0.0476 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_number 1874 _diffrn_reflns_theta_full 29.27 _diffrn_reflns_theta_max 29.27 _diffrn_reflns_theta_min 3.66 _exptl_absorpt_coefficient_mu 0.229 _exptl_crystal_density_diffrn 2.4557 _exptl_crystal_F_000 232 _refine_diff_density_max 0.21 _refine_diff_density_min -0.24 _refine_ls_abs_structure_details ' 263 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 17100(700) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.72 _refine_ls_goodness_of_fit_ref 1.54 _refine_ls_number_constraints 1 _refine_ls_number_parameters 78 _refine_ls_number_reflns 745 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0470 _refine_ls_R_factor_gt 0.0348 _refine_ls_shift/su_max 0.0081 _refine_ls_shift/su_mean 0.0017 _refine_ls_structure_factor_coef F _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_weighting_scheme sigma _refine_ls_wR_factor_gt 0.0343 _refine_ls_wR_factor_ref 0.0352 _reflns_number_gt 586 _reflns_number_total 745 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_248K.cif _cod_data_source_block I _cod_depositor_comments ; The following automatic conversions were performed: '_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 4624 2016-04-14 12:54:50Z antanas Released structure into public domain as published material. Antanas Vaitkus, 2021-05-18 ; _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000120 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z+1/2 3 x+1/2,-y+1/2,z 4 -x+1/2,y+1/2,z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Li1 Li 0.4129(6) 0.5672(8) -0.0059(14) Uani 0.0193(17) 4 1 d . . . B1 B 0.5099(3) 0.8365(5) 0.3533(7) Uani 0.0087(9) 4 1 d . . . B2 B 0.6938(3) 0.0565(5) 0.5499(7) Uani 0.0061(9) 4 1 d . . . B3 B 0.6569(3) 0.7513(4) 0.7340(7) Uiso 0.0070(6) 4 1 d . . . O1 O 0.58614(18) 0.9960(3) 0.3458(4) Uani 0.0083(5) 4 1 d . . . O2 O 0.3836(2) 0.7949(3) 0.1965(4) Uani 0.0084(6) 4 1 d . . . O3 O 0.55823(19) 0.7020(3) 0.5280(4) Uani 0.0095(6) 4 1 d . . . O4 O 0.7392(2) 0.9099(3) 0.7333(4) Uani 0.0072(5) 4 1 d . . . O5 O 0.6604(2) 0.6256(3) 0.9269(4) Uani 0.0076(6) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li1 Li 0.021(2) 0.010(3) 0.027(4) -0.001(2) -0.010(2) 0.000(3) B1 B 0.0084(13) 0.0081(17) 0.0096(17) 0.0029(11) 0.0028(13) -0.0026(15) B2 B 0.0089(14) 0.0048(15) 0.0044(16) 0.0004(11) -0.0013(13) 0.0006(14) O1 O 0.0083(7) 0.0069(10) 0.0096(11) -0.0016(7) -0.0012(9) 0.0015(10) O2 O 0.0079(8) 0.0066(10) 0.0108(12) -0.0009(7) -0.0012(9) 0.0001(11) O3 O 0.0094(9) 0.0073(10) 0.0119(12) -0.0007(8) -0.0013(9) 0.0006(11) O4 O 0.0077(8) 0.0064(10) 0.0075(10) -0.0009(7) -0.0003(8) 0.0014(11) O5 O 0.0064(8) 0.0076(10) 0.0088(10) -0.0003(7) -0.0021(7) 0.0008(9) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source B 0.0013 0.0007 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Li -0.0003 0.0001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle B1 O1 B2 . . 1_565 123.0(3) B1 O2 B2 . . 2_664 118.6(2) B1 O3 B3 . . . 118.6(2) B2 O4 B3 1_565 . . 119.6(2) B2 O5 B3 4_655 . . 124.6(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance O1 B1 . . 1.343(4) O1 B2 . 1_565 1.464(4) O2 B1 . . 1.376(4) O2 B2 . 2_664 1.485(4) O3 B1 . . 1.403(4) O3 B3 . . 1.402(4) O4 B2 . 1_565 1.489(4) O4 B3 . . 1.362(4) O5 B2 . 4_655 1.479(4) O5 B3 . . 1.362(4) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 2.20 5.86 5.75 < 4 0 0 439.55 475.18 6.28 o 6 0 0 141.22 131.40 5.31 o 8 0 0 0.22 -4.77 5.44 < 10 0 0 11.96 11.23 6.72 < 1 1 0 434.06 383.56 9.52 o 2 1 0 377.91 379.25 6.29 o 3 1 0 1.03 4.96 3.54 < 4 1 0 5.90 6.94 3.43 < 5 1 0 0.60 -0.78 3.48 < 6 1 0 371.11 381.68 4.10 o 7 1 0 138.60 136.85 3.87 o 8 1 0 327.39 325.83 4.29 o 9 1 0 229.13 232.16 5.27 o 10 1 0 56.18 51.78 5.29 o 11 1 0 25.80 23.65 6.29 o 0 2 0 129.26 133.67 11.45 o 1 2 0 272.67 253.45 7.68 o 2 2 0 427.37 402.01 7.54 o 3 2 0 850.53 901.15 6.26 o 4 2 0 119.33 133.08 4.21 o 5 2 0 684.85 677.22 5.34 o 6 2 0 271.79 284.24 4.61 o 7 2 0 247.15 236.45 4.72 o 8 2 0 40.66 46.19 4.96 o 9 2 0 32.61 39.20 5.39 o 10 2 0 94.47 92.70 5.75 o 11 2 0 2.57 4.40 6.41 < 1 3 0 387.70 392.72 7.47 o 2 3 0 5.41 11.29 5.38 < 3 3 0 106.20 112.73 4.47 o 4 3 0 108.48 111.24 4.69 o 5 3 0 26.41 30.87 4.48 o 6 3 0 125.62 124.28 4.56 o 7 3 0 273.05 276.14 4.92 o 8 3 0 12.56 20.06 4.83 o 9 3 0 322.32 302.62 5.68 o 10 3 0 113.25 114.25 6.02 o 11 3 0 3.68 8.31 7.03 < 0 4 0 42.97 49.64 8.53 o 1 4 0 623.12 612.04 10.77 o 2 4 0 437.77 413.40 6.72 o 3 4 0 425.36 405.35 6.54 o 4 4 0 368.37 368.81 5.34 o 5 4 0 208.92 203.41 5.08 o 6 4 0 168.03 160.21 4.87 o 7 4 0 278.38 268.36 5.07 o 8 4 0 63.36 58.62 5.39 o 9 4 0 24.32 28.86 5.56 o 10 4 0 31.08 27.74 6.20 o 1 5 0 308.14 314.02 6.97 o 2 5 0 108.59 99.24 6.31 o 3 5 0 230.88 211.50 6.70 o 4 5 0 10.78 17.06 4.35 o 5 5 0 241.79 215.09 5.34 o 6 5 0 16.21 20.82 5.00 o 7 5 0 138.38 139.55 5.46 o 8 5 0 0.07 0.90 6.01 < 9 5 0 43.70 40.93 6.09 o 10 5 0 0.97 5.03 7.08 < 0 6 0 7.59 11.86 9.06 < 1 6 0 51.83 57.77 6.08 o 2 6 0 644.84 591.27 9.65 o 3 6 0 44.50 50.56 6.56 o 4 6 0 16.19 21.15 4.89 o 5 6 0 143.17 137.56 5.55 o 6 6 0 1.10 7.16 5.61 < 7 6 0 13.33 18.55 5.75 o 8 6 0 1.63 5.84 5.90 < 9 6 0 1.44 8.02 6.87 < 1 7 0 83.26 86.22 7.31 o 2 7 0 153.02 165.13 7.11 o 3 7 0 437.49 390.90 10.65 o 4 7 0 284.29 263.48 6.22 o 5 7 0 80.20 83.77 5.95 o 6 7 0 17.76 23.06 6.19 o 7 7 0 87.00 91.93 6.82 o 8 7 0 11.11 5.77 7.28 < 0 8 0 2.96 7.87 10.24 < 1 8 0 8.60 4.41 7.32 < 2 8 0 15.23 14.97 7.47 < 3 8 0 297.84 298.41 8.28 o 4 8 0 86.98 108.32 8.00 o 5 8 0 3.53 8.86 6.80 < 6 8 0 43.81 52.68 7.07 o 7 8 0 7.41 8.22 7.56 < 1 9 0 0.54 1.03 8.23 < 2 9 0 133.51 134.96 8.68 o 3 9 0 0.04 -3.02 8.80 < 4 9 0 45.62 63.36 7.51 o 5 9 0 283.45 293.03 7.95 o 0 10 0 77.31 80.45 13.57 o 1 10 0 55.88 59.52 9.67 o 2 0 1 2367.05 2124.26 22.12 o 2 0 -1 2367.59 2868.82 17.03 o 4 0 1 2134.76 2085.68 14.69 o 4 0 -1 2136.42 2313.45 10.69 o 6 0 1 249.17 275.77 7.97 o 6 0 -1 249.16 253.99 5.53 o 8 0 1 233.38 234.87 8.55 o 8 0 -1 233.59 230.19 6.01 o 10 0 1 41.02 34.64 9.70 o 10 0 -1 40.85 38.68 6.86 o 0 1 -1 38.54 35.17 9.29 o 1 1 1 1151.18 1046.40 14.01 o 1 1 -1 1151.11 1262.85 12.53 o 2 1 1 1599.50 1677.47 10.84 o 2 1 -1 1599.92 1698.92 10.81 o 3 1 1 1140.13 1211.20 7.25 o 3 1 -1 1141.36 1277.25 6.30 o 4 1 1 495.45 513.09 5.11 o 4 1 -1 496.52 524.48 4.42 o 5 1 1 171.16 176.64 4.38 o 5 1 -1 171.01 174.51 3.79 o 6 1 1 87.88 90.38 4.34 o 6 1 -1 88.01 90.05 3.81 o 7 1 1 72.70 77.18 4.46 o 7 1 -1 72.33 75.09 3.82 o 8 1 1 77.47 76.92 4.98 o 8 1 -1 77.09 82.63 4.07 o 9 1 1 71.02 69.25 5.12 o 9 1 -1 70.88 71.89 4.41 o 10 1 1 241.07 225.93 7.26 o 10 1 -1 240.91 239.35 5.07 o 11 1 1 1.12 5.63 7.81 < 11 1 -1 1.16 -3.33 6.37 < 1 2 1 653.71 692.41 9.33 o 1 2 -1 653.14 584.34 10.15 o 2 2 1 1714.63 1823.67 10.27 o 2 2 -1 1713.52 1467.48 11.67 o 3 2 1 148.09 161.88 4.68 o 3 2 -1 148.06 163.66 4.83 o 4 2 1 272.21 281.31 4.67 o 4 2 -1 272.48 291.14 4.11 o 5 2 1 24.11 27.52 4.17 o 5 2 -1 24.16 34.19 3.71 o 6 2 1 202.34 209.46 4.84 o 6 2 -1 202.64 215.12 4.10 o 7 2 1 260.88 264.40 4.80 o 7 2 -1 260.92 258.82 4.31 o 8 2 1 79.06 75.61 4.82 o 8 2 -1 78.64 82.06 4.16 o 9 2 1 1.34 1.19 5.17 < 9 2 -1 1.36 -3.20 5.11 < 10 2 1 33.23 38.80 6.06 o 10 2 -1 33.22 38.02 6.08 o 11 2 1 41.33 47.44 8.04 o 11 2 -1 41.36 43.45 6.57 o 0 3 1 1584.30 1246.55 21.98 o 0 3 -1 1581.61 1734.16 14.48 o 1 3 1 153.88 191.08 7.14 o 1 3 -1 153.78 177.03 7.38 o 2 3 1 265.54 298.85 5.68 o 2 3 -1 265.39 264.91 6.57 o 3 3 1 446.71 469.29 5.55 o 3 3 -1 447.04 420.91 6.54 o 4 3 1 74.07 78.90 4.66 o 4 3 -1 74.06 80.51 5.59 o 5 3 1 331.43 321.66 4.99 o 5 3 -1 331.30 320.40 4.71 o 6 3 1 210.43 213.39 5.11 o 6 3 -1 210.11 208.21 4.64 o 7 3 1 258.32 248.00 4.91 o 7 3 -1 258.47 256.31 4.91 o 8 3 1 295.69 291.82 5.30 o 8 3 -1 296.10 293.97 5.29 o 9 3 1 116.48 111.73 5.80 o 9 3 -1 116.44 123.82 5.49 o 10 3 1 7.74 8.43 6.32 < 10 3 -1 7.71 6.89 5.99 < 11 3 -1 5.86 10.65 11.82 < 1 4 1 520.73 455.07 12.51 o 1 4 -1 520.45 536.46 9.95 o 2 4 1 660.62 652.34 6.58 o 2 4 -1 659.75 603.64 7.65 o 3 4 1 28.92 31.62 5.11 o 3 4 -1 28.74 30.20 6.09 o 4 4 1 17.24 20.68 4.68 o 4 4 -1 17.29 18.15 5.62 o 5 4 1 315.50 327.58 5.10 o 5 4 -1 315.94 312.84 5.12 o 6 4 1 20.74 30.61 4.99 o 6 4 -1 20.74 23.71 4.76 o 7 4 1 64.59 72.08 5.39 o 7 4 -1 64.79 66.32 4.89 o 8 4 1 94.30 95.04 5.25 o 8 4 -1 94.12 87.77 5.21 o 9 4 1 110.18 110.19 6.12 o 9 4 -1 110.18 98.45 5.81 o 10 4 1 68.37 56.85 6.41 o 10 4 -1 68.26 63.37 6.39 o 0 5 1 56.03 58.25 9.70 o 0 5 -1 55.74 58.54 7.89 o 1 5 1 86.12 88.01 7.15 o 1 5 -1 86.09 95.99 6.00 o 2 5 1 15.22 20.69 6.18 o 2 5 -1 15.29 14.27 6.23 < 3 5 1 79.09 77.80 5.16 o 3 5 -1 79.27 71.04 6.71 o 4 5 1 86.86 91.22 5.24 o 4 5 -1 86.75 82.82 6.05 o 5 5 1 417.16 404.99 5.87 o 5 5 -1 416.96 398.21 5.61 o 6 5 1 21.42 27.77 5.27 o 6 5 -1 21.22 27.00 4.76 o 7 5 1 159.03 162.84 5.86 o 7 5 -1 158.91 152.80 5.24 o 8 5 1 28.17 29.79 5.56 o 8 5 -1 28.26 35.70 5.51 o 9 5 1 15.62 15.12 6.46 < 9 5 -1 15.63 5.83 6.40 < 1 6 1 309.66 299.57 8.30 o 1 6 -1 309.65 315.72 7.01 o 2 6 1 182.30 187.07 7.32 o 2 6 -1 182.89 178.18 5.93 o 3 6 1 97.09 95.84 5.43 o 3 6 -1 97.05 94.08 6.75 o 4 6 1 67.43 70.21 5.53 o 4 6 -1 67.18 58.92 6.82 o 5 6 1 80.21 90.99 5.46 o 5 6 -1 79.77 79.51 6.57 o 6 6 1 9.00 14.83 5.69 < 6 6 -1 9.01 13.52 5.38 < 7 6 1 9.73 5.23 5.84 < 7 6 -1 9.75 7.55 5.75 < 8 6 1 2.97 4.42 6.62 < 8 6 -1 3.04 6.68 6.32 < 9 6 1 117.05 125.22 7.59 o 9 6 -1 117.02 121.67 7.18 o 0 7 1 541.71 501.83 13.52 o 0 7 -1 542.58 542.93 9.71 o 1 7 1 345.49 318.19 9.12 o 1 7 -1 345.82 338.01 7.46 o 2 7 1 85.88 84.11 7.93 o 2 7 -1 86.16 86.80 6.54 o 3 7 1 256.57 246.82 6.42 o 3 7 -1 256.28 267.61 10.34 o 4 7 1 0.02 -3.10 5.86 < 4 7 -1 0.03 2.68 7.31 < 5 7 1 36.08 34.54 6.28 o 5 7 -1 36.08 35.67 7.26 o 6 7 1 21.10 25.58 6.35 o 6 7 -1 21.28 23.26 6.02 o 7 7 1 72.55 82.11 6.89 o 7 7 -1 72.34 74.77 6.54 o 8 7 1 45.53 50.07 7.51 o 8 7 -1 45.20 47.88 7.45 o 1 8 1 63.71 62.31 8.83 o 1 8 -1 64.00 68.88 7.56 o 2 8 1 157.31 165.52 9.19 o 2 8 -1 157.91 162.33 7.43 o 3 8 1 35.09 41.29 7.18 o 3 8 -1 35.08 41.54 7.43 o 4 8 1 106.52 113.15 7.06 o 4 8 -1 106.43 112.05 7.16 o 5 8 1 75.03 81.45 7.05 o 5 8 -1 74.84 73.96 7.05 o 6 8 1 21.95 26.98 7.76 o 6 8 -1 21.84 29.35 7.71 o 0 9 1 33.63 43.99 14.60 o 0 9 -1 33.92 44.52 12.05 o 1 9 1 3.17 9.21 9.84 < 1 9 -1 3.22 2.09 7.95 < 2 9 1 3.06 2.53 8.56 < 2 9 -1 3.05 4.56 8.08 < 3 9 1 43.88 50.76 8.62 o 3 9 -1 43.66 59.92 9.05 o 4 9 1 179.11 186.82 8.83 o 4 9 -1 179.17 209.29 9.08 o 5 9 1 12.37 13.03 10.92 < 5 9 -1 12.41 7.40 13.49 < 0 0 -2 342.02 352.57 11.13 o 2 0 2 641.29 591.44 10.16 o 2 0 -2 642.43 587.82 10.88 o 4 0 2 16.50 6.37 7.14 < 4 0 -2 16.41 15.12 4.95 o 6 0 2 115.52 110.03 7.90 o 6 0 -2 116.02 111.92 5.49 o 8 0 2 613.10 598.02 9.72 o 8 0 -2 611.64 605.60 6.91 o 10 0 2 4.69 18.13 10.05 < 10 0 -2 4.53 2.47 7.10 < 1 1 2 766.69 768.10 9.22 o 1 1 -2 766.69 680.92 8.97 o 2 1 2 696.44 638.71 8.12 o 2 1 -2 697.28 741.33 6.56 o 3 1 2 403.41 401.23 6.48 o 3 1 -2 404.02 426.65 5.37 o 4 1 2 368.24 372.06 6.36 o 4 1 -2 368.48 393.92 4.58 o 5 1 2 250.61 246.85 6.13 o 5 1 -2 251.17 260.63 4.23 o 6 1 2 63.86 60.63 5.42 o 6 1 -2 63.84 61.65 3.78 o 7 1 2 48.04 44.91 5.64 o 7 1 -2 48.11 52.13 4.10 o 8 1 2 7.06 11.97 5.90 < 8 1 -2 7.15 8.70 4.18 < 9 1 2 23.44 16.47 6.56 < 9 1 -2 23.45 22.61 4.60 o 10 1 2 10.84 11.17 7.91 < 10 1 -2 10.76 6.59 5.10 < 11 1 2 26.92 22.59 8.29 < 11 1 -2 26.91 26.22 5.81 o 0 2 -2 678.08 759.27 10.61 o 1 2 2 796.26 783.85 10.89 o 1 2 -2 795.83 855.78 9.48 o 2 2 2 239.28 242.28 6.64 o 2 2 -2 239.52 253.44 5.66 o 3 2 2 330.64 327.90 6.34 o 3 2 -2 330.39 358.08 5.45 o 4 2 2 668.76 656.34 7.12 o 4 2 -2 668.61 672.74 5.88 o 5 2 2 174.05 160.90 5.62 o 5 2 -2 173.87 171.79 4.05 o 6 2 2 450.86 447.43 6.25 o 6 2 -2 451.06 451.58 4.64 o 7 2 2 43.41 50.56 5.73 o 7 2 -2 43.16 45.00 4.15 o 8 2 2 28.78 32.30 6.16 o 8 2 -2 28.72 21.11 4.45 o 9 2 2 23.74 34.02 7.19 o 9 2 -2 23.74 28.69 4.87 o 10 2 2 33.61 46.00 7.50 o 10 2 -2 33.35 33.89 5.26 o 1 3 -2 483.42 521.89 8.80 o 2 3 2 195.81 214.25 7.64 o 2 3 -2 195.70 214.99 6.85 o 3 3 2 401.30 420.34 5.98 o 3 3 -2 401.41 394.76 6.95 o 4 3 2 217.30 234.35 5.18 o 4 3 -2 217.46 223.82 5.12 o 5 3 2 316.12 335.20 5.38 o 5 3 -2 316.58 321.47 5.28 o 6 3 2 113.76 112.88 5.07 o 6 3 -2 113.82 114.16 4.13 o 7 3 2 15.46 21.78 5.23 o 7 3 -2 15.42 7.50 4.68 < 8 3 2 280.74 274.96 7.25 o 8 3 -2 280.33 276.82 5.66 o 9 3 2 9.78 19.10 7.43 < 9 3 -2 9.89 18.22 5.88 o 10 3 2 66.18 66.98 8.46 o 10 3 -2 66.24 62.31 6.71 o 0 4 -2 153.56 145.95 7.93 o 1 4 -2 246.71 255.66 5.77 o 2 4 2 17.70 14.31 6.22 < 2 4 -2 17.66 21.07 7.18 < 3 4 2 382.30 386.45 6.42 o 3 4 -2 382.45 335.77 7.29 o 4 4 2 497.61 483.21 6.08 o 4 4 -2 497.22 437.75 7.15 o 5 4 2 52.32 48.31 5.00 o 5 4 -2 52.31 52.66 6.39 o 6 4 2 437.74 438.60 5.82 o 6 4 -2 437.59 412.90 5.49 o 7 4 2 97.46 107.11 5.68 o 7 4 -2 97.70 101.57 5.04 o 8 4 2 8.98 10.38 5.94 < 8 4 -2 8.97 16.68 5.65 < 9 4 2 50.26 63.45 6.03 o 9 4 -2 50.54 52.63 5.98 o 10 4 2 21.66 23.24 8.95 < 10 4 -2 21.42 16.49 7.02 < 1 5 2 421.71 491.22 24.28 o 1 5 -2 421.33 420.28 6.22 o 2 5 2 247.20 261.40 10.20 o 2 5 -2 246.91 238.87 8.27 o 3 5 2 25.57 24.67 5.78 o 3 5 -2 25.51 27.76 6.76 o 4 5 2 115.48 123.68 5.69 o 4 5 -2 115.10 114.43 6.70 o 5 5 2 124.00 120.34 6.10 o 5 5 -2 124.28 112.63 6.43 o 6 5 2 2.48 6.74 5.51 < 6 5 -2 2.47 4.31 5.46 < 7 5 2 36.32 38.67 5.66 o 7 5 -2 36.31 29.57 5.63 o 8 5 2 71.75 69.99 6.51 o 8 5 -2 71.76 72.37 6.16 o 9 5 2 29.44 30.12 7.12 o 9 5 -2 29.46 31.13 6.75 o 0 6 -2 334.88 327.06 8.98 o 1 6 2 257.30 248.66 11.28 o 1 6 -2 257.71 245.72 6.15 o 2 6 2 157.74 168.13 8.52 o 2 6 -2 157.57 165.39 6.01 o 3 6 2 43.54 46.69 8.88 o 3 6 -2 43.31 43.23 7.25 o 4 6 2 38.33 34.48 5.94 o 4 6 -2 38.61 38.53 7.43 o 5 6 2 129.91 128.13 6.35 o 5 6 -2 130.07 134.17 7.49 o 6 6 2 0.92 3.68 6.20 < 6 6 -2 0.94 1.13 5.61 < 7 6 2 82.35 91.99 6.55 o 7 6 -2 82.27 85.82 6.13 o 8 6 2 21.54 29.91 7.06 o 8 6 -2 21.64 26.67 6.67 o 1 7 2 128.65 134.43 11.02 o 1 7 -2 128.81 128.93 6.86 o 2 7 2 21.16 22.49 9.01 < 2 7 -2 21.24 19.16 6.29 o 3 7 2 12.19 19.45 8.05 < 3 7 -2 12.20 13.07 6.34 < 4 7 2 7.94 13.56 9.14 < 4 7 -2 7.90 6.93 7.58 < 5 7 2 91.74 96.82 6.86 o 5 7 -2 91.07 80.34 8.16 o 6 7 2 0.86 5.03 7.18 < 6 7 -2 0.87 3.01 6.53 < 7 7 2 32.26 39.20 7.77 o 7 7 -2 32.22 28.38 7.14 o 0 8 -2 340.29 329.50 10.09 o 1 8 2 12.27 15.21 12.59 < 1 8 -2 12.32 10.25 6.78 < 2 8 2 11.61 10.10 10.29 < 2 8 -2 11.77 13.56 7.41 < 3 8 2 55.29 69.15 9.96 o 3 8 -2 55.25 58.02 7.67 o 4 8 2 75.18 75.95 9.18 o 4 8 -2 75.55 77.59 8.05 o 5 8 2 105.96 120.14 11.17 o 5 8 -2 106.07 113.37 10.92 o 6 8 2 13.17 14.41 8.45 < 6 8 -2 13.04 16.48 7.82 < 1 9 -2 37.98 40.43 8.29 o 2 9 2 54.05 62.54 14.74 o 2 9 -2 54.15 59.29 8.51 o 3 9 2 57.28 63.24 12.21 o 3 9 -2 56.87 71.31 8.73 o 4 9 2 29.95 31.90 11.38 < 4 9 -2 29.86 47.25 9.15 o 2 0 3 238.23 253.49 9.63 o 2 0 -3 238.04 226.97 8.06 o 4 0 3 36.19 22.44 7.60 < 4 0 -3 36.19 48.31 5.92 o 6 0 3 274.95 276.96 9.76 o 6 0 -3 274.53 264.08 6.38 o 8 0 3 59.84 60.60 9.20 o 8 0 -3 59.57 61.68 6.77 o 10 0 3 132.91 121.24 11.46 o 10 0 -3 133.27 112.20 8.51 o 0 1 -3 105.88 99.02 6.70 o 1 1 -3 545.14 508.92 7.02 o 2 1 3 191.28 198.57 6.28 o 2 1 -3 190.94 193.75 5.99 o 3 1 3 433.48 410.25 6.82 o 3 1 -3 433.21 435.98 5.56 o 4 1 3 320.65 313.64 6.49 o 4 1 -3 321.00 326.61 5.46 o 5 1 3 155.86 155.97 6.62 o 5 1 -3 155.88 159.32 3.99 o 6 1 3 123.11 110.70 6.30 o 6 1 -3 122.51 120.39 4.22 o 7 1 3 139.60 131.71 6.16 o 7 1 -3 139.50 144.49 4.34 o 8 1 3 27.27 41.23 6.43 o 8 1 -3 27.35 30.83 4.68 o 9 1 3 79.45 76.66 7.18 o 9 1 -3 79.73 76.79 5.03 o 10 1 3 6.74 13.81 7.93 < 10 1 -3 6.79 4.02 5.75 < 1 2 -3 187.98 197.27 5.04 o 2 2 3 59.14 57.52 6.74 o 2 2 -3 59.50 67.74 5.58 o 3 2 3 241.00 243.83 6.38 o 3 2 -3 240.84 244.51 5.55 o 4 2 3 399.84 373.05 7.06 o 4 2 -3 399.12 401.48 5.46 o 5 2 3 283.17 285.15 6.51 o 5 2 -3 283.62 294.14 5.35 o 6 2 3 109.08 108.55 6.35 o 6 2 -3 109.05 109.73 4.26 o 7 2 3 9.18 11.25 6.07 < 7 2 -3 9.13 10.77 4.41 < 8 2 3 40.37 40.41 6.64 o 8 2 -3 40.21 43.65 4.97 o 9 2 3 28.54 21.72 7.23 o 9 2 -3 28.39 23.60 5.26 o 10 2 3 56.87 45.34 8.25 o 10 2 -3 57.03 51.42 5.94 o 0 3 -3 795.61 798.45 9.85 o 1 3 -3 241.88 253.05 5.77 o 2 3 3 40.06 36.48 7.89 o 2 3 -3 40.05 33.46 6.50 o 3 3 3 14.85 10.35 6.60 < 3 3 -3 14.82 11.98 5.46 < 4 3 3 233.33 221.21 6.87 o 4 3 -3 233.40 233.88 5.71 o 5 3 3 20.38 20.35 6.08 o 5 3 -3 20.36 22.86 5.20 o 6 3 3 357.23 358.45 7.06 o 6 3 -3 357.48 353.51 4.89 o 7 3 3 52.43 55.91 6.85 o 7 3 -3 52.47 55.57 4.60 o 8 3 3 15.20 16.69 6.88 < 8 3 -3 15.08 19.45 4.96 o 9 3 3 56.01 54.88 7.69 o 9 3 -3 56.10 55.73 6.13 o 1 4 -3 54.80 60.96 5.57 o 2 4 -3 353.05 360.74 8.40 o 3 4 3 376.93 346.59 8.89 o 3 4 -3 376.91 347.43 8.25 o 4 4 3 104.98 114.12 6.77 o 4 4 -3 105.21 103.02 6.64 o 5 4 3 7.82 9.04 6.76 < 5 4 -3 7.90 1.32 6.67 < 6 4 3 129.48 124.04 6.91 o 6 4 -3 129.47 127.54 5.63 o 7 4 3 10.76 13.62 7.18 < 7 4 -3 10.92 19.62 5.59 o 8 4 3 143.67 154.37 8.07 o 8 4 -3 143.97 147.02 6.27 o 9 4 3 72.36 75.88 8.22 o 9 4 -3 72.26 77.71 6.85 o 0 5 -3 275.52 280.77 8.57 o 1 5 -3 155.26 175.50 5.86 o 2 5 -3 224.92 216.40 6.03 o 3 5 3 718.63 588.72 22.04 o 3 5 -3 718.39 620.37 11.20 o 4 5 3 47.83 49.83 7.81 o 4 5 -3 47.94 43.43 7.67 o 5 5 3 7.51 4.71 7.66 < 5 5 -3 7.51 12.60 7.01 < 6 5 3 91.77 76.53 7.77 o 6 5 -3 91.75 83.80 7.66 o 7 5 3 5.17 1.74 8.25 < 7 5 -3 5.21 14.15 6.01 < 8 5 3 48.75 52.29 8.53 o 8 5 -3 48.73 53.96 6.61 o 1 6 -3 7.65 8.49 5.98 < 2 6 -3 77.05 82.02 6.13 o 3 6 -3 71.86 83.50 6.36 o 4 6 3 62.92 60.14 16.07 o 4 6 -3 62.92 46.99 9.29 o 5 6 3 39.92 50.54 8.83 o 5 6 -3 39.84 35.26 8.72 o 6 6 3 0.34 4.71 8.29 < 6 6 -3 0.36 -3.22 8.71 < 7 6 3 111.00 123.03 9.21 o 7 6 -3 110.97 114.42 7.04 o 0 7 -3 22.06 19.06 9.11 < 1 7 -3 9.45 16.97 6.49 < 2 7 -3 15.38 17.02 6.73 < 3 7 -3 14.73 29.11 6.82 o 4 7 -3 18.84 23.44 7.17 o 5 7 3 58.51 61.72 17.42 o 5 7 -3 58.53 54.28 9.86 o 6 7 3 63.68 70.35 10.48 o 6 7 -3 63.90 58.00 10.46 o 1 8 -3 27.38 20.10 7.27 < 2 8 -3 101.25 122.72 7.52 o 3 8 -3 0.93 4.86 7.56 < 4 8 -3 21.80 28.01 8.57 o 5 8 -3 1.64 -2.41 8.31 < 0 9 -3 86.52 116.14 11.73 o 1 9 -3 159.21 165.11 8.46 o 0 0 -4 296.02 277.53 9.90 o 2 0 -4 399.10 383.14 10.00 o 4 0 4 168.40 172.87 9.70 o 4 0 -4 167.39 166.86 6.60 o 6 0 4 89.28 89.74 8.95 o 6 0 -4 89.60 84.28 6.68 o 8 0 4 157.35 168.93 11.99 o 8 0 -4 158.01 163.99 7.21 o 1 1 -4 239.11 240.97 5.14 o 2 1 -4 34.81 39.53 6.23 o 3 1 4 139.66 139.25 6.86 o 3 1 -4 139.72 134.74 5.05 o 4 1 4 278.80 287.98 6.81 o 4 1 -4 278.09 269.51 5.61 o 5 1 4 117.95 121.29 6.66 o 5 1 -4 117.53 117.68 4.34 o 6 1 4 18.53 23.05 6.17 o 6 1 -4 18.59 21.91 4.77 o 7 1 4 5.96 12.12 7.16 < 7 1 -4 6.01 14.25 4.94 < 8 1 4 36.91 35.49 7.85 o 8 1 -4 36.72 26.53 5.24 o 9 1 4 15.27 3.26 7.95 < 9 1 -4 15.34 9.66 6.02 < 0 2 -4 307.99 288.45 7.69 o 1 2 -4 81.22 75.89 5.00 o 2 2 -4 74.68 74.04 5.58 o 3 2 4 161.27 162.55 7.05 o 3 2 -4 161.54 163.20 5.65 o 4 2 4 361.31 349.77 7.53 o 4 2 -4 361.02 364.02 5.67 o 5 2 4 191.74 193.10 6.90 o 5 2 -4 191.78 190.28 5.59 o 6 2 4 4.33 8.12 6.86 < 6 2 -4 4.29 9.23 4.67 < 7 2 4 50.88 52.76 6.86 o 7 2 -4 50.75 50.03 5.09 o 8 2 4 42.58 48.82 8.08 o 8 2 -4 42.84 45.78 5.38 o 9 2 4 25.81 24.53 8.84 < 9 2 -4 25.62 29.30 5.93 o 1 3 -4 92.45 88.75 5.84 o 2 3 -4 323.38 316.37 5.94 o 3 3 4 82.04 90.58 13.97 o 3 3 -4 82.36 84.45 6.41 o 4 3 4 26.14 23.89 7.00 o 4 3 -4 26.29 25.64 5.97 o 5 3 4 218.81 215.66 7.65 o 5 3 -4 218.25 213.77 6.28 o 6 3 4 3.46 4.25 7.14 < 6 3 -4 3.44 6.66 5.05 < 7 3 4 123.44 121.73 7.83 o 7 3 -4 123.19 127.31 5.39 o 8 3 4 43.31 46.63 8.37 o 8 3 -4 43.49 31.67 5.78 o 0 4 -4 142.99 135.18 8.44 o 1 4 -4 201.06 189.84 6.13 o 2 4 -4 19.71 23.53 5.85 o 3 4 -4 29.34 31.00 9.69 o 4 4 4 18.09 15.32 8.30 < 4 4 -4 18.10 22.22 8.28 < 5 4 4 134.49 123.14 8.32 o 5 4 -4 134.61 132.12 7.63 o 6 4 4 228.33 243.22 8.50 o 6 4 -4 228.59 237.14 8.30 o 7 4 4 24.79 24.16 8.11 < 7 4 -4 24.61 28.65 6.60 o 8 4 4 34.50 29.09 9.52 o 8 4 -4 34.39 27.75 7.22 o 1 5 -4 175.53 189.75 6.34 o 2 5 -4 10.65 10.67 6.15 < 3 5 -4 59.36 71.74 6.43 o 4 5 -4 28.80 22.30 11.32 < 5 5 4 3.58 9.02 9.53 < 5 5 -4 3.53 2.76 9.29 < 6 5 4 28.91 35.43 9.19 o 6 5 -4 28.98 37.87 8.94 o 7 5 4 70.30 73.06 9.45 o 7 5 -4 70.27 72.04 7.16 o 0 6 -4 516.11 527.29 10.30 o 1 6 -4 70.72 75.19 6.62 o 2 6 -4 19.66 29.05 6.63 o 3 6 -4 10.24 10.52 6.26 < 4 6 -4 11.43 10.82 7.13 < 5 6 -4 6.69 11.72 12.91 < 6 6 4 20.15 21.62 11.10 < 6 6 -4 20.34 11.85 10.37 < 1 7 -4 171.51 195.48 7.47 o 2 7 -4 79.82 89.52 7.53 o 3 7 -4 4.81 9.82 7.64 < 4 7 -4 21.06 25.00 7.88 o 5 7 -4 65.67 74.93 8.37 o 0 8 -4 106.89 129.69 11.63 o 1 8 -4 24.72 38.58 8.09 o 2 8 -4 35.62 35.43 8.27 o 2 0 -5 1055.63 980.54 8.88 o 4 0 5 10.03 27.28 10.56 < 4 0 -5 10.12 8.85 7.11 < 6 0 5 83.53 105.20 11.97 o 6 0 -5 83.55 83.22 7.53 o 8 0 5 5.62 0.90 11.91 < 8 0 -5 5.63 9.13 8.10 < 0 1 -5 515.18 490.23 7.73 o 1 1 -5 123.01 114.28 5.13 o 2 1 -5 19.05 24.45 4.93 o 3 1 -5 22.88 28.04 5.89 o 4 1 5 26.01 39.33 7.64 o 4 1 -5 25.97 32.31 5.87 o 5 1 5 103.65 104.42 8.07 o 5 1 -5 103.57 100.15 5.41 o 6 1 5 26.03 23.00 8.48 < 6 1 -5 25.92 25.53 5.45 o 7 1 5 64.55 70.42 8.54 o 7 1 -5 64.81 74.67 6.00 o 8 1 5 53.11 70.83 9.28 o 8 1 -5 53.41 61.72 6.11 o 1 2 -5 48.80 44.76 5.61 o 2 2 -5 76.27 77.04 5.05 o 3 2 -5 112.13 108.19 5.10 o 4 2 -5 2.04 3.62 6.18 < 5 2 5 2.58 2.22 8.10 < 5 2 -5 2.55 6.62 6.55 < 6 2 5 12.09 11.74 8.58 < 6 2 -5 11.97 15.65 5.59 < 7 2 5 19.36 23.88 9.18 < 7 2 -5 19.58 20.89 6.04 o 0 3 -5 27.83 15.43 8.73 < 1 3 -5 104.84 95.50 8.25 o 2 3 -5 56.89 65.44 6.16 o 3 3 -5 98.31 103.72 5.91 o 4 3 -5 31.38 26.89 6.95 o 5 3 5 5.41 9.52 8.37 < 5 3 -5 5.45 7.95 6.99 < 6 3 5 38.85 37.65 8.98 o 6 3 -5 38.83 37.67 6.07 o 7 3 5 52.30 49.75 10.26 o 7 3 -5 52.30 41.75 6.30 o 1 4 -5 115.76 114.91 6.69 o 2 4 -5 36.26 41.74 6.59 o 3 4 -5 6.58 8.24 6.70 < 4 4 -5 64.24 64.22 9.58 o 5 4 -5 85.45 90.07 10.13 o 6 4 5 4.46 11.79 10.03 < 6 4 -5 4.43 14.38 10.11 < 0 5 -5 26.97 36.60 9.74 o 1 5 -5 14.24 21.18 6.86 o 2 5 -5 2.17 11.68 6.99 < 3 5 -5 90.35 101.29 7.38 o 4 5 -5 19.94 18.38 7.67 < 5 5 -5 180.70 200.76 11.45 o 1 6 -5 25.10 36.09 7.58 o 2 6 -5 2.72 12.60 7.70 < 3 6 -5 17.61 14.01 7.90 < 4 6 -5 155.42 166.94 8.44 o 0 7 -5 93.46 105.56 11.87 o 1 7 -5 49.24 57.88 8.32 o 0 0 -6 629.15 622.72 12.71 o 2 0 -6 362.71 363.37 8.69 o 4 0 -6 4.34 5.74 6.72 < 6 0 6 114.73 123.65 14.23 o 6 0 -6 115.62 111.77 9.11 o 1 1 -6 82.35 81.91 6.01 o 2 1 -6 64.51 52.54 5.93 o 3 1 -6 35.10 31.48 5.62 o 4 1 -6 81.32 78.37 5.70 o 5 1 -6 22.64 26.48 6.15 o 6 1 -6 87.62 88.11 6.86 o 0 2 -6 25.61 33.14 8.84 o 1 2 -6 0.37 -1.78 6.47 < 2 2 -6 49.30 49.19 5.84 o 3 2 -6 42.93 51.05 6.01 o 4 2 -6 73.15 77.53 6.35 o 5 2 -6 72.45 97.05 7.99 o 1 3 -6 0.36 -8.73 7.22 < 2 3 -6 16.70 19.93 8.59 < 3 3 -6 8.58 8.52 7.20 < 4 3 -6 17.07 18.11 6.90 < 5 3 -6 52.16 61.56 8.15 o 0 4 -6 143.46 143.32 10.97 o 1 4 -6 6.54 12.41 7.58 < 2 4 -6 7.76 8.52 7.89 < 3 4 -6 99.06 119.32 8.89 o 4 4 -6 89.18 111.98 8.52 o 1 5 -6 12.81 12.32 8.12 < 2 5 -6 0.11 -0.21 8.94 < 0 1 -7 94.64 82.84 10.95 o 1 1 -7 53.20 52.90 7.38 o