#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000117.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_3000117 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 8.4437(13) _cell_length_b 7.3770(19) _cell_length_c 5.189(2) _cell_measurement_temperature 173 _cell_volume 323.22(16) _diffrn_ambient_temperature 173 _diffrn_measured_fraction_theta_full 0.98 _diffrn_measured_fraction_theta_max 0.98 _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 0.041 _diffrn_reflns_av_unetI/netI 0.0358 _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 1893 _diffrn_reflns_theta_full 29.41 _diffrn_reflns_theta_max 29.52 _diffrn_reflns_theta_min 3.67 _exptl_absorpt_coefficient_mu 0.228 _exptl_crystal_density_diffrn 2.4529 _exptl_crystal_F_000 232 _refine_diff_density_max 0.26 _refine_diff_density_min -0.24 _refine_ls_abs_structure_details ' 267 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 4200(400) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.36 _refine_ls_goodness_of_fit_ref 1.30 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 756 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0416 _refine_ls_R_factor_gt 0.0262 _refine_ls_shift/su_max 0.0046 _refine_ls_shift/su_mean 0.0011 _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 0.0248 _refine_ls_wR_factor_ref 0.0265 _reflns_number_gt 614 _reflns_number_total 756 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_173K.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_cell_volume 323.22(17) _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000117 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 0.4150(4) 0.5669(5) -0.0046(9) Uani 0.0149(11) 4 1 d . . . B1 B 0.5093(2) 0.8356(3) 0.3535(5) Uani 0.0076(6) 4 1 d . . . B2 B 0.6947(2) 0.0574(3) 0.5505(5) Uani 0.0070(6) 4 1 d . . . B3 B 0.6574(2) 0.7515(3) 0.7333(5) Uani 0.0073(6) 4 1 d . . . O1 O 0.58579(13) 0.9965(2) 0.3465(3) Uani 0.0084(4) 4 1 d . . . O2 O 0.38333(14) 0.79470(19) 0.1970(3) Uani 0.0084(4) 4 1 d . . . O3 O 0.55835(13) 0.7015(2) 0.5276(3) Uani 0.0086(4) 4 1 d . . . O4 O 0.73984(15) 0.90982(18) 0.7322(3) Uani 0.0074(4) 4 1 d . . . O5 O 0.65972(15) 0.6259(2) 0.9270(3) Uani 0.0084(4) 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 0.0168(16) 0.0096(17) 0.018(2) 0.0000(13) -0.0040(15) 0.0026(18) B1 B 0.0086(9) 0.0068(11) 0.0075(11) 0.0018(8) 0.0025(9) 0.0001(10) B2 B 0.0065(10) 0.0070(11) 0.0076(12) -0.0006(8) -0.0001(9) 0.0004(10) B3 B 0.0061(8) 0.0059(10) 0.0098(13) 0.0014(7) 0.0022(9) -0.0035(12) O1 O 0.0098(5) 0.0073(7) 0.0082(7) -0.0002(5) -0.0009(6) 0.0011(7) O2 O 0.0088(6) 0.0066(7) 0.0099(8) 0.0003(5) -0.0012(6) -0.0009(8) O3 O 0.0104(7) 0.0069(7) 0.0085(8) 0.0001(6) -0.0019(6) -0.0002(7) O4 O 0.0083(6) 0.0066(7) 0.0072(7) -0.0013(5) 0.0006(6) 0.0015(8) O5 O 0.0075(6) 0.0078(7) 0.0099(7) -0.0009(5) -0.0011(5) 0.0009(7) 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_565 123.16(18) B1 O2 B2 . . 2_664 119.07(16) B1 O3 B3 . . . 118.71(17) B2 O4 B3 1_565 . . 119.98(16) B2 O5 B3 4_655 . . 124.30(15) 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 . . 1.352(3) O1 B2 . 1_565 1.473(3) O2 B1 . . 1.372(3) O2 B2 . 2_664 1.484(3) O3 B1 . . 1.402(3) O3 B3 . . 1.405(3) O4 B2 . 1_565 1.489(3) O4 B3 . . 1.360(2) O5 B2 . 4_655 1.476(2) O5 B3 . . 1.367(3) 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 1.87 1.65 4.71 < 4 0 0 415.73 442.86 5.06 o 6 0 0 143.16 138.85 4.47 o 8 0 0 0.07 2.29 4.61 < 10 0 0 11.61 14.87 5.55 < 1 1 0 414.03 342.67 6.90 o 2 1 0 369.36 342.84 4.95 o 3 1 0 1.14 1.91 2.98 < 4 1 0 5.00 6.12 2.88 < 5 1 0 0.16 2.45 2.59 < 6 1 0 339.89 353.36 3.17 o 7 1 0 131.66 127.09 3.25 o 8 1 0 325.03 331.47 3.49 o 9 1 0 222.96 228.29 3.96 o 10 1 0 56.12 51.45 4.39 o 11 1 0 26.50 22.72 5.01 o 0 2 0 138.26 126.53 7.76 o 1 2 0 279.33 247.17 5.83 o 2 2 0 412.15 383.24 5.71 o 3 2 0 871.71 877.05 4.96 o 4 2 0 130.13 130.34 3.52 o 5 2 0 685.52 675.73 4.43 o 6 2 0 288.92 296.67 3.90 o 7 2 0 236.61 236.32 3.56 o 8 2 0 45.54 45.45 3.50 o 9 2 0 29.02 30.74 3.80 o 10 2 0 95.11 102.11 4.88 o 11 2 0 0.31 5.11 5.11 < 1 3 0 391.44 407.59 5.84 o 2 3 0 4.10 8.19 4.14 < 3 3 0 102.64 102.62 3.56 o 4 3 0 104.37 101.16 3.59 o 5 3 0 28.37 33.16 3.60 o 6 3 0 142.06 147.50 3.84 o 7 3 0 267.25 260.06 4.13 o 8 3 0 8.11 6.68 3.86 < 9 3 0 303.20 309.02 4.74 o 10 3 0 117.45 121.46 4.80 o 11 3 0 1.00 3.14 6.30 < 0 4 0 41.95 43.29 6.25 o 1 4 0 616.02 640.71 8.99 o 2 4 0 426.46 420.03 5.32 o 3 4 0 432.48 428.18 5.21 o 4 4 0 364.43 361.17 4.13 o 5 4 0 214.13 211.29 3.91 o 6 4 0 153.50 157.91 3.96 o 7 4 0 266.75 262.31 4.31 o 8 4 0 64.97 67.00 3.85 o 9 4 0 27.25 33.09 4.45 o 10 4 0 27.76 29.81 5.31 o 1 5 0 310.51 303.74 5.45 o 2 5 0 112.61 104.54 4.64 o 3 5 0 217.23 209.82 4.92 o 4 5 0 8.48 13.08 3.66 o 5 5 0 224.92 205.37 4.07 o 6 5 0 13.93 15.98 3.96 o 7 5 0 131.65 135.28 4.32 o 8 5 0 0.08 0.62 4.55 < 9 5 0 42.75 46.42 5.05 o 10 5 0 0.21 12.63 6.98 < 0 6 0 6.45 6.34 7.44 < 1 6 0 50.99 46.47 4.65 o 2 6 0 663.75 630.92 5.82 o 3 6 0 42.71 44.00 5.09 o 4 6 0 14.56 18.59 4.06 o 5 6 0 135.29 136.38 4.18 o 6 6 0 0.97 5.21 4.24 < 7 6 0 18.56 14.81 4.57 o 8 6 0 0.63 7.66 4.93 < 9 6 0 1.62 9.01 5.21 < 1 7 0 80.07 80.21 5.00 o 2 7 0 146.30 149.33 5.57 o 3 7 0 440.24 440.91 8.04 o 4 7 0 271.80 254.44 4.57 o 5 7 0 80.96 76.43 4.43 o 6 7 0 22.69 28.84 4.67 o 7 7 0 91.33 91.12 5.14 o 8 7 0 7.45 6.08 5.49 < 0 8 0 3.48 8.25 8.63 < 1 8 0 8.25 4.95 5.75 < 2 8 0 20.94 22.62 5.86 o 3 8 0 285.82 288.71 6.39 o 4 8 0 96.57 101.01 4.82 o 5 8 0 5.06 8.85 4.89 < 6 8 0 47.26 52.35 5.60 o 7 8 0 8.29 2.92 5.61 < 1 9 0 0.38 4.14 6.50 < 2 9 0 132.37 130.65 6.80 o 3 9 0 0.61 1.89 6.84 < 4 9 0 52.82 65.20 5.70 o 5 9 0 271.26 288.95 6.31 o 0 10 0 80.16 100.14 11.66 o 1 10 0 54.99 63.73 8.24 o 2 0 1 2357.25 2264.38 15.59 o 2 0 -1 2357.77 2352.78 10.83 o 4 0 1 2099.31 2132.59 11.36 o 4 0 -1 2100.93 2168.57 8.04 o 6 0 1 270.17 269.44 4.32 o 6 0 -1 270.11 273.03 4.36 o 8 0 1 243.97 255.91 6.11 o 8 0 -1 244.18 237.12 4.98 o 10 0 1 39.68 38.01 8.19 o 10 0 -1 39.48 40.58 5.78 o 0 1 -1 37.36 39.36 7.41 o 1 1 1 1163.75 1240.74 10.65 o 1 1 -1 1163.68 1152.21 8.70 o 2 1 1 1591.02 1571.71 7.57 o 2 1 -1 1591.45 1556.12 7.39 o 3 1 1 1148.46 1169.34 5.71 o 3 1 -1 1149.73 1184.36 4.81 o 4 1 1 488.03 488.52 4.20 o 4 1 -1 489.09 484.76 3.62 o 5 1 1 173.51 167.97 3.48 o 5 1 -1 173.35 170.84 3.16 o 6 1 1 83.52 82.23 3.21 o 6 1 -1 83.65 86.85 2.86 o 7 1 1 70.19 72.49 3.10 o 7 1 -1 69.83 71.24 3.10 o 8 1 1 72.24 75.44 3.57 o 8 1 -1 71.85 74.03 2.98 o 9 1 1 66.04 72.78 4.09 o 9 1 -1 65.91 69.13 3.22 o 10 1 1 238.40 247.18 5.64 o 10 1 -1 238.26 236.92 3.94 o 11 1 1 2.33 6.96 5.39 < 11 1 -1 2.39 0.62 5.37 < 1 2 1 651.11 639.70 6.76 o 1 2 -1 650.53 627.61 8.17 o 2 2 1 1715.90 1747.39 7.64 o 2 2 -1 1714.82 1656.05 8.82 o 3 2 1 144.37 154.01 3.69 o 3 2 -1 144.35 157.70 3.51 o 4 2 1 252.29 264.68 3.86 o 4 2 -1 252.54 263.28 3.09 o 5 2 1 20.79 25.71 3.50 o 5 2 -1 20.84 22.73 2.90 o 6 2 1 197.17 206.65 3.70 o 6 2 -1 197.49 203.09 2.93 o 7 2 1 254.54 248.46 3.85 o 7 2 -1 254.60 251.40 3.50 o 8 2 1 80.60 85.31 4.07 o 8 2 -1 80.17 80.21 3.35 o 9 2 1 0.71 7.56 3.80 < 9 2 -1 0.70 -1.67 3.50 < 10 2 1 33.08 36.53 3.99 o 10 2 -1 33.08 31.52 4.31 o 11 2 1 34.74 32.93 6.24 o 11 2 -1 34.76 33.23 4.89 o 0 3 1 1595.66 1656.57 18.10 o 0 3 -1 1592.94 1596.96 10.79 o 1 3 1 154.41 171.61 5.17 o 1 3 -1 154.32 164.51 5.50 o 2 3 1 258.76 271.50 4.42 o 2 3 -1 258.62 262.21 5.25 o 3 3 1 436.58 449.96 4.61 o 3 3 -1 436.91 439.06 5.51 o 4 3 1 70.85 76.07 3.41 o 4 3 -1 70.83 68.13 4.48 o 5 3 1 341.58 331.65 4.03 o 5 3 -1 341.45 329.55 3.94 o 6 3 1 204.78 212.87 3.56 o 6 3 -1 204.46 201.66 3.92 o 7 3 1 238.27 227.33 4.13 o 7 3 -1 238.40 240.46 4.13 o 8 3 1 311.92 309.36 4.48 o 8 3 -1 312.37 300.95 4.46 o 9 3 1 113.44 115.14 4.35 o 9 3 -1 113.40 111.11 4.62 o 10 3 1 5.59 13.06 4.75 < 10 3 -1 5.58 7.22 4.47 < 1 4 1 531.37 520.67 10.07 o 1 4 -1 531.08 546.38 7.54 o 2 4 1 654.37 653.65 5.05 o 2 4 -1 653.52 637.95 6.17 o 3 4 1 31.99 34.28 3.73 o 3 4 -1 31.79 33.01 4.39 o 4 4 1 23.10 18.48 3.62 o 4 4 -1 23.16 28.06 4.45 o 5 4 1 314.88 324.86 4.18 o 5 4 -1 315.35 314.07 4.12 o 6 4 1 22.04 24.25 3.78 o 6 4 -1 22.04 21.78 3.34 o 7 4 1 72.90 73.40 4.11 o 7 4 -1 73.11 73.91 4.07 o 8 4 1 89.07 89.66 4.19 o 8 4 -1 88.90 95.18 4.41 o 9 4 1 112.27 113.54 4.60 o 9 4 -1 112.25 101.64 4.86 o 10 4 1 57.80 60.41 5.38 o 10 4 -1 57.70 58.03 5.44 o 0 5 1 55.82 53.02 8.30 o 0 5 -1 55.54 60.70 6.39 o 1 5 1 86.51 86.62 5.63 o 1 5 -1 86.49 84.02 4.64 o 2 5 1 17.11 21.96 4.75 o 2 5 -1 17.19 18.13 4.75 o 3 5 1 79.90 78.19 3.95 o 3 5 -1 80.09 79.75 5.00 o 4 5 1 89.15 88.87 3.83 o 4 5 -1 89.03 90.50 5.06 o 5 5 1 416.39 404.00 4.41 o 5 5 -1 416.15 387.73 4.29 o 6 5 1 22.49 20.99 4.05 o 6 5 -1 22.28 22.80 3.58 o 7 5 1 148.74 155.40 4.22 o 7 5 -1 148.64 142.06 3.96 o 8 5 1 27.78 28.56 4.67 o 8 5 -1 27.87 25.56 4.61 o 9 5 1 12.61 12.60 5.11 < 9 5 -1 12.61 15.57 5.11 o 1 6 1 301.80 311.07 6.15 o 1 6 -1 301.75 294.76 5.11 o 2 6 1 181.19 179.39 5.82 o 2 6 -1 181.78 183.33 4.89 o 3 6 1 90.74 98.15 4.31 o 3 6 -1 90.70 90.77 5.18 o 4 6 1 69.81 65.81 4.17 o 4 6 -1 69.55 65.89 4.49 o 5 6 1 72.72 67.88 4.17 o 5 6 -1 72.30 64.47 4.39 o 6 6 1 8.23 10.62 4.55 < 6 6 -1 8.25 5.65 4.31 < 7 6 1 8.20 10.00 4.63 < 7 6 -1 8.21 8.17 4.59 < 8 6 1 1.62 1.49 4.97 < 8 6 -1 1.68 9.92 5.01 < 9 6 1 101.00 75.59 5.66 o 9 6 -1 101.03 101.32 5.68 o 0 7 1 537.80 547.85 9.80 o 0 7 -1 538.65 548.90 8.05 o 1 7 1 344.47 346.80 6.75 o 1 7 -1 344.82 337.66 5.39 o 2 7 1 85.09 86.08 6.21 o 2 7 -1 85.37 83.20 5.08 o 3 7 1 258.80 259.42 5.22 o 3 7 -1 258.48 254.34 7.69 o 4 7 1 0.29 1.77 4.22 < 4 7 -1 0.28 -0.16 5.17 < 5 7 1 36.27 31.46 4.51 o 5 7 -1 36.26 30.03 4.47 o 6 7 1 24.32 27.99 5.25 o 6 7 -1 24.51 24.07 4.97 o 7 7 1 68.77 80.51 5.48 o 7 7 -1 68.54 56.60 5.18 o 8 7 1 44.01 45.01 5.96 o 8 7 -1 43.71 36.42 5.60 o 1 8 1 64.05 64.96 7.13 o 1 8 -1 64.34 75.19 5.48 o 2 8 1 153.71 157.64 7.06 o 2 8 -1 154.31 154.73 5.73 o 3 8 1 36.21 35.51 5.35 o 3 8 -1 36.19 42.23 5.64 o 4 8 1 102.31 103.72 5.68 o 4 8 -1 102.25 96.59 5.97 o 5 8 1 75.78 72.14 5.60 o 5 8 -1 75.57 71.53 4.83 o 6 8 1 24.82 27.69 5.70 o 6 8 -1 24.71 28.98 5.01 o 7 8 1 2.54 -3.96 8.03 < 7 8 -1 2.61 5.95 9.96 < 0 9 1 38.25 39.78 11.25 o 0 9 -1 38.59 49.26 8.70 o 1 9 1 4.13 -0.76 8.03 < 1 9 -1 4.16 7.40 6.56 < 2 9 1 3.77 5.63 6.38 < 2 9 -1 3.76 5.81 6.22 < 3 9 1 43.72 44.91 6.64 o 3 9 -1 43.51 47.53 6.95 o 4 9 1 180.74 187.04 6.82 o 4 9 -1 180.81 198.83 6.92 o 5 9 1 12.05 7.91 11.51 < 5 9 -1 12.08 12.35 9.98 < 0 0 -2 327.80 325.75 8.03 o 2 0 2 683.71 682.20 8.51 o 2 0 -2 684.85 686.08 8.58 o 4 0 2 19.31 16.51 6.02 < 4 0 -2 19.22 22.28 4.15 o 6 0 2 103.92 101.40 6.60 o 6 0 -2 104.45 106.53 4.58 o 8 0 2 619.58 636.95 7.22 o 8 0 -2 618.08 610.11 5.77 o 10 0 2 5.29 4.81 8.61 < 10 0 -2 5.14 2.43 6.02 < 1 1 2 778.95 790.44 7.49 o 1 1 -2 778.95 790.31 7.17 o 2 1 2 711.80 773.55 6.34 o 2 1 -2 712.62 736.64 5.28 o 3 1 2 410.40 423.92 5.18 o 3 1 -2 411.02 414.16 4.18 o 4 1 2 361.36 385.73 4.71 o 4 1 -2 361.59 373.66 3.39 o 5 1 2 251.25 251.75 4.50 o 5 1 -2 251.80 250.32 3.12 o 6 1 2 64.15 61.42 4.64 o 6 1 -2 64.10 64.97 3.18 o 7 1 2 46.31 45.21 4.77 o 7 1 -2 46.40 48.76 3.18 o 8 1 2 6.22 5.19 5.01 < 8 1 -2 6.30 11.43 3.36 o 9 1 2 16.33 19.46 5.03 o 9 1 -2 16.34 20.36 3.66 o 10 1 2 10.31 16.16 5.61 < 10 1 -2 10.23 12.47 3.48 o 11 1 -2 26.74 35.34 9.76 o 0 2 -2 671.75 747.01 8.22 o 1 2 2 800.30 826.39 8.94 o 1 2 -2 799.88 832.30 7.53 o 2 2 2 236.00 244.22 5.55 o 2 2 -2 236.23 245.06 4.47 o 3 2 2 328.12 344.96 5.34 o 3 2 -2 327.85 344.69 4.40 o 4 2 2 671.41 685.62 5.79 o 4 2 -2 671.32 669.97 4.49 o 5 2 2 169.03 161.85 4.73 o 5 2 -2 168.84 163.53 3.24 o 6 2 2 435.78 431.27 5.27 o 6 2 -2 435.96 428.30 3.50 o 7 2 2 40.41 40.29 4.85 o 7 2 -2 40.19 40.27 3.34 o 8 2 2 24.90 32.28 4.67 o 8 2 -2 24.85 25.56 3.56 o 9 2 2 26.67 34.23 5.17 o 9 2 -2 26.68 30.71 3.76 o 10 2 2 35.42 34.40 5.82 o 10 2 -2 35.14 37.26 4.39 o 1 3 -2 492.94 530.69 6.47 o 2 3 2 194.41 202.66 5.53 o 2 3 -2 194.30 201.04 5.51 o 3 3 2 407.08 414.82 4.59 o 3 3 -2 407.20 404.79 5.57 o 4 3 2 221.68 226.90 4.15 o 4 3 -2 221.83 217.40 3.95 o 5 3 2 319.39 332.62 4.18 o 5 3 -2 319.88 319.47 3.31 o 6 3 2 109.74 113.77 3.89 o 6 3 -2 109.79 111.31 3.09 o 7 3 2 14.27 10.48 4.02 < 7 3 -2 14.22 12.72 3.98 o 8 3 2 274.25 276.65 4.37 o 8 3 -2 273.81 269.71 4.09 o 9 3 2 10.19 27.83 5.29 o 9 3 -2 10.30 12.64 4.71 < 10 3 2 59.91 56.89 6.59 o 10 3 -2 59.98 63.39 4.69 o 0 4 -2 151.99 143.76 6.41 o 1 4 -2 235.66 247.38 4.44 o 2 4 2 17.96 23.53 4.65 o 2 4 -2 17.93 24.39 5.56 o 3 4 2 397.01 386.53 4.72 o 3 4 -2 397.15 373.79 5.86 o 4 4 2 486.89 490.40 4.87 o 4 4 -2 486.51 441.47 5.73 o 5 4 2 57.34 51.96 4.01 o 5 4 -2 57.32 50.77 4.69 o 6 4 2 448.07 434.77 4.74 o 6 4 -2 447.90 437.04 4.61 o 7 4 2 99.87 109.20 4.58 o 7 4 -2 100.10 99.93 4.27 o 8 4 2 12.90 18.13 4.53 o 8 4 -2 12.89 12.58 4.49 < 9 4 2 50.81 46.05 5.03 o 9 4 -2 51.08 56.60 5.05 o 10 4 2 21.38 13.04 6.28 < 10 4 -2 21.14 19.84 5.65 o 1 5 2 434.30 465.04 13.02 o 1 5 -2 433.93 428.97 5.15 o 2 5 2 241.49 247.37 7.68 o 2 5 -2 241.19 237.62 6.89 o 3 5 2 23.90 26.67 4.45 o 3 5 -2 23.82 22.16 5.27 o 4 5 2 105.01 106.82 4.40 o 4 5 -2 104.67 100.24 5.22 o 5 5 2 110.16 112.19 4.32 o 5 5 -2 110.45 113.67 5.40 o 6 5 2 6.26 6.22 4.39 < 6 5 -2 6.25 0.40 4.14 < 7 5 2 35.63 17.35 4.45 o 7 5 -2 35.60 29.43 4.45 o 8 5 2 66.42 52.15 4.63 o 8 5 -2 66.45 73.11 5.18 o 9 5 2 24.23 19.08 5.07 o 9 5 -2 24.25 27.79 5.39 o 0 6 2 350.68 348.91 13.35 o 0 6 -2 351.33 321.58 7.33 o 1 6 2 248.59 252.87 8.32 o 1 6 -2 248.96 234.33 5.04 o 2 6 2 159.05 163.66 6.34 o 2 6 -2 158.87 156.79 4.97 o 3 6 2 42.85 44.74 6.64 o 3 6 -2 42.62 37.01 5.28 o 4 6 2 35.35 28.71 4.93 o 4 6 -2 35.62 25.51 4.99 o 5 6 2 128.06 126.97 4.68 o 5 6 -2 128.16 121.85 5.41 o 6 6 2 0.48 0.08 4.95 < 6 6 -2 0.51 -2.05 4.71 < 7 6 2 85.77 89.42 5.18 o 7 6 -2 85.71 83.15 5.16 o 8 6 2 25.38 23.32 5.61 o 8 6 -2 25.49 26.61 5.31 o 1 7 2 134.37 133.52 8.09 o 1 7 -2 134.52 134.13 5.23 o 2 7 2 23.27 26.12 6.76 o 2 7 -2 23.35 27.29 5.13 o 3 7 2 12.49 18.59 6.14 o 3 7 -2 12.49 21.21 5.29 o 4 7 2 7.32 15.97 7.08 < 4 7 -2 7.29 9.90 5.81 < 5 7 2 86.07 90.92 5.56 o 5 7 -2 85.43 79.83 6.23 o 6 7 2 1.00 -0.86 5.53 < 6 7 -2 1.01 -2.27 5.23 < 7 7 2 31.85 33.63 5.96 o 7 7 -2 31.79 26.91 5.33 o 0 8 2 329.38 330.80 13.16 o 0 8 -2 331.10 338.00 8.50 o 1 8 2 13.55 16.70 8.99 < 1 8 -2 13.61 13.96 5.59 < 2 8 2 11.06 14.91 7.95 < 2 8 -2 11.22 13.88 5.17 < 3 8 2 56.28 64.52 7.31 o 3 8 -2 56.23 67.10 5.90 o 4 8 2 74.14 77.88 6.85 o 4 8 -2 74.52 80.48 5.04 o 5 8 2 106.59 119.66 8.61 o 5 8 -2 106.70 102.23 9.29 o 6 8 2 16.04 14.95 6.52 < 6 8 -2 15.90 20.38 5.57 o 1 9 -2 34.04 31.84 6.34 o 2 9 2 51.23 54.71 10.63 o 2 9 -2 51.34 54.93 6.50 o 3 9 2 56.45 67.90 9.04 o 3 9 -2 56.05 64.70 6.16 o 4 9 2 28.58 24.65 8.45 < 4 9 -2 28.50 31.86 6.94 o 2 0 3 231.49 240.26 6.96 o 2 0 -3 231.31 234.88 6.88 o 4 0 3 35.21 27.21 6.38 o 4 0 -3 35.19 32.24 4.33 o 6 0 3 287.61 285.76 7.29 o 6 0 -3 287.18 271.53 4.30 o 8 0 3 50.77 56.77 7.69 o 8 0 -3 50.51 44.18 5.28 o 10 0 3 120.44 124.93 9.45 o 10 0 -3 120.82 126.60 5.48 o 0 1 -3 109.27 102.76 5.19 o 1 1 -3 564.01 567.78 6.01 o 2 1 3 193.79 196.54 4.80 o 2 1 -3 193.44 186.85 5.02 o 3 1 3 442.37 439.98 5.39 o 3 1 -3 442.10 432.77 4.47 o 4 1 3 339.76 339.58 4.84 o 4 1 -3 340.10 334.74 3.92 o 5 1 3 167.66 169.55 4.51 o 5 1 -3 167.68 162.74 3.25 o 6 1 3 121.87 107.20 4.92 o 6 1 -3 121.27 122.17 3.53 o 7 1 3 137.26 134.93 5.21 o 7 1 -3 137.19 133.05 3.65 o 8 1 3 24.14 22.88 5.41 o 8 1 -3 24.22 28.60 3.42 o 9 1 3 81.74 82.38 6.08 o 9 1 -3 82.00 86.55 3.83 o 10 1 3 7.11 11.71 6.08 < 10 1 -3 7.16 9.25 4.67 < 1 2 -3 189.07 191.29 3.81 o 2 2 3 55.04 53.13 4.86 o 2 2 -3 55.40 51.41 4.13 o 3 2 3 229.31 229.78 5.01 o 3 2 -3 229.18 224.00 4.15 o 4 2 3 397.60 396.26 5.60 o 4 2 -3 396.87 389.09 4.09 o 5 2 3 282.36 284.26 4.80 o 5 2 -3 282.78 278.73 3.55 o 6 2 3 106.35 105.72 4.98 o 6 2 -3 106.35 103.56 3.31 o 7 2 3 6.77 10.62 4.67 < 7 2 -3 6.74 7.08 3.40 < 8 2 3 37.96 36.66 5.58 o 8 2 -3 37.81 39.98 3.87 o 9 2 3 24.49 19.34 6.14 o 9 2 -3 24.35 20.19 3.88 o 10 2 3 56.03 45.75 6.95 o 10 2 -3 56.20 60.87 4.79 o 0 3 -3 818.69 832.07 7.19 o 1 3 -3 237.61 236.75 4.07 o 2 3 3 37.73 36.94 6.16 o 2 3 -3 37.71 38.04 4.83 o 3 3 3 14.71 12.09 5.19 < 3 3 -3 14.68 11.85 4.13 < 4 3 3 232.11 224.43 5.40 o 4 3 -3 232.17 221.37 4.45 o 5 3 3 18.37 20.65 5.11 o 5 3 -3 18.35 20.29 4.21 o 6 3 3 361.80 362.01 5.21 o 6 3 -3 362.08 358.22 3.81 o 7 3 3 47.90 44.34 5.38 o 7 3 -3 47.94 47.40 3.71 o 8 3 3 17.10 10.56 5.25 < 8 3 -3 16.94 15.43 3.98 o 9 3 3 55.98 16.85 5.90 < 9 3 -3 56.09 58.50 5.15 o 10 3 3 23.92 -0.38 9.88 < 1 4 -3 70.00 76.49 4.62 o 2 4 -3 374.48 378.98 7.11 o 3 4 3 377.92 368.81 6.97 o 3 4 -3 377.88 354.40 6.77 o 4 4 3 102.57 96.70 5.34 o 4 4 -3 102.79 103.96 5.63 o 5 4 3 6.41 12.11 5.25 < 5 4 -3 6.48 6.56 4.85 < 6 4 3 125.70 126.12 5.45 o 6 4 -3 125.69 120.17 4.34 o 7 4 3 10.23 9.48 5.92 < 7 4 -3 10.38 15.83 4.21 o 8 4 3 128.46 59.45 6.19 o 8 4 -3 128.76 139.10 5.02 o 9 4 3 76.18 39.52 6.71 o 9 4 -3 76.06 81.94 5.22 o 0 5 -3 263.60 254.42 5.89 o 1 5 -3 156.91 152.44 4.81 o 2 5 -3 212.07 216.60 4.61 o 3 5 3 727.33 697.96 18.17 o 3 5 -3 727.13 656.39 8.70 o 4 5 3 43.57 41.64 6.24 o 4 5 -3 43.69 38.36 6.16 o 5 5 3 5.79 10.64 6.02 < 5 5 -3 5.78 7.10 5.98 < 6 5 3 86.99 81.73 5.62 o 6 5 -3 86.97 85.48 6.07 o 7 5 3 3.94 6.04 5.87 < 7 5 -3 3.98 6.58 5.05 < 8 5 3 54.23 53.24 7.01 o 8 5 -3 54.20 57.37 4.69 o 1 6 -3 10.12 10.02 4.49 < 2 6 -3 77.31 90.35 4.70 o 3 6 -3 72.68 72.97 4.29 o 4 6 3 65.99 55.43 7.15 o 4 6 -3 65.99 55.45 6.59 o 5 6 3 43.66 49.06 6.58 o 5 6 -3 43.59 16.27 6.87 < 6 6 3 0.74 3.48 7.02 < 6 6 -3 0.76 -0.56 6.84 < 7 6 3 119.01 119.87 6.69 o 7 6 -3 118.91 118.78 5.66 o 8 6 3 35.57 31.82 8.05 o 0 7 -3 28.23 14.25 7.63 < 1 7 -3 14.00 16.98 4.93 o 2 7 -3 17.62 18.31 5.51 o 3 7 -3 16.84 18.79 5.09 o 4 7 -3 21.88 16.80 5.37 o 5 7 3 58.37 69.11 13.83 o 5 7 -3 58.39 53.67 7.65 o 6 7 3 61.34 66.76 7.85 o 6 7 -3 61.57 55.08 7.71 o 7 7 -3 71.76 1.75 12.95 < 1 8 -3 24.80 17.07 5.57 o 2 8 -3 102.08 107.79 6.21 o 3 8 -3 0.65 -2.68 5.71 < 4 8 -3 24.78 14.25 6.56 < 5 8 3 2.15 5.13 20.74 < 5 8 -3 2.10 0.70 8.01 < 0 9 -3 78.78 91.03 9.77 o 1 9 -3 156.79 157.89 6.43 o 2 9 -3 78.69 75.96 8.08 o 0 0 -4 304.38 305.48 8.34 o 2 0 -4 409.27 400.90 7.59 o 4 0 4 180.30 179.45 7.05 o 4 0 -4 179.24 179.34 4.91 o 6 0 4 96.72 101.01 7.42 o 6 0 -4 97.06 93.43 5.14 o 8 0 4 178.10 184.12 8.72 o 8 0 -4 178.87 181.52 6.10 o 1 1 -4 253.50 248.85 3.81 o 2 1 -4 33.71 35.20 4.91 o 3 1 4 134.64 136.49 4.52 o 3 1 -4 134.70 135.91 4.10 o 4 1 4 272.89 275.83 5.55 o 4 1 -4 272.18 276.98 4.37 o 5 1 4 112.73 109.58 5.08 o 5 1 -4 112.32 105.04 3.65 o 6 1 4 21.07 17.77 5.23 o 6 1 -4 21.12 24.43 3.44 o 7 1 4 9.85 3.76 5.49 < 7 1 -4 9.92 16.50 3.50 o 8 1 4 33.10 13.35 5.50 < 8 1 -4 32.92 36.65 4.07 o 9 1 4 11.82 13.08 6.60 < 9 1 -4 11.88 16.06 4.69 o 0 2 -4 306.45 290.55 6.23 o 1 2 -4 77.81 73.24 3.81 o 2 2 -4 73.72 69.96 4.47 o 3 2 4 161.02 159.86 5.35 o 3 2 -4 161.32 159.62 4.40 o 4 2 4 365.86 352.09 5.82 o 4 2 -4 365.59 356.81 4.63 o 5 2 4 191.58 194.84 5.74 o 5 2 -4 191.57 191.44 4.36 o 6 2 4 5.13 2.80 4.73 < 6 2 -4 5.09 8.95 3.92 < 7 2 4 53.45 39.05 5.68 o 7 2 -4 53.31 52.30 4.13 o 8 2 4 45.22 13.45 6.76 < 8 2 -4 45.47 45.68 4.33 o 9 2 4 24.98 8.63 6.26 < 9 2 -4 24.78 25.06 4.97 o 1 3 -4 98.03 89.24 4.76 o 2 3 -4 325.23 315.41 4.60 o 3 3 4 85.42 84.16 6.09 o 3 3 -4 85.75 84.58 4.76 o 4 3 4 25.69 27.96 5.70 o 4 3 -4 25.83 26.71 4.77 o 5 3 4 222.83 217.67 5.58 o 5 3 -4 222.28 213.51 4.93 o 6 3 4 6.05 5.67 5.89 < 6 3 -4 6.02 5.71 4.12 < 7 3 4 125.55 123.51 6.51 o 7 3 -4 125.26 123.35 4.36 o 8 3 4 38.27 40.04 5.96 o 8 3 -4 38.45 34.48 4.33 o 9 3 4 9.13 7.16 9.72 < 0 4 -4 138.93 126.49 6.90 o 1 4 -4 207.83 204.11 4.67 o 2 4 -4 19.84 20.17 4.81 o 3 4 -4 36.30 26.21 5.29 o 4 4 4 15.46 20.69 6.34 o 4 4 -4 15.47 20.16 5.94 o 5 4 4 139.22 147.97 6.52 o 5 4 -4 139.37 139.24 6.46 o 6 4 4 228.75 249.99 6.63 o 6 4 -4 228.97 249.42 6.10 o 7 4 4 31.10 28.58 6.66 o 7 4 -4 30.92 32.24 5.01 o 8 4 4 30.76 28.16 6.80 o 8 4 -4 30.67 25.62 5.49 o 1 5 -4 181.81 175.47 5.17 o 2 5 -4 8.69 8.55 5.05 < 3 5 -4 68.96 65.97 4.83 o 4 5 -4 29.16 18.84 7.65 < 5 5 4 3.83 5.89 7.42 < 5 5 -4 3.77 5.27 6.98 < 6 5 4 30.14 38.68 7.15 o 6 5 -4 30.20 37.32 7.17 o 7 5 4 65.48 74.11 7.85 o 7 5 -4 65.48 65.80 5.98 o 0 6 -4 541.81 560.24 7.30 o 1 6 -4 70.58 74.31 4.94 o 2 6 -4 18.00 25.44 5.41 o 3 6 -4 11.23 11.17 5.15 < 4 6 -4 11.96 12.49 5.39 < 5 6 -4 7.05 11.91 9.54 < 6 6 4 18.61 18.98 8.69 < 6 6 -4 18.79 8.51 7.63 < 1 7 -4 175.40 189.70 5.65 o 2 7 -4 82.40 82.72 5.08 o 3 7 -4 7.80 12.90 5.67 < 4 7 -4 20.55 26.12 5.88 o 5 7 -4 65.56 69.44 6.95 o 0 8 -4 113.17 132.79 9.51 o 1 8 -4 20.22 19.10 6.14 o 2 8 -4 29.28 25.40 6.28 o 2 0 -5 1074.23 1081.13 7.09 o 4 0 5 7.64 16.05 8.67 < 4 0 -5 7.78 7.89 5.17 < 6 0 5 89.64 102.43 8.26 o 6 0 -5 89.66 95.61 5.80 o 8 0 5 4.74 5.45 9.52 < 8 0 -5 4.75 9.88 6.86 < 0 1 -5 518.81 534.75 6.25 o 1 1 -5 118.46 111.63 3.73 o 2 1 -5 21.07 22.50 3.78 o 3 1 -5 29.78 27.92 4.35 o 4 1 5 29.18 34.64 5.72 o 4 1 -5 29.11 27.37 4.49 o 5 1 5 99.27 103.58 5.64 o 5 1 -5 99.14 103.22 3.79 o 6 1 5 23.58 22.96 5.86 o 6 1 -5 23.50 21.65 4.13 o 7 1 5 64.76 70.49 6.30 o 7 1 -5 64.96 59.92 4.51 o 8 1 5 48.13 32.07 6.95 o 8 1 -5 48.42 59.03 5.13 o 1 2 -5 48.34 47.59 4.23 o 2 2 -5 81.38 86.45 3.75 o 3 2 -5 110.86 111.43 3.89 o 4 2 -5 2.42 0.62 4.59 < 5 2 5 3.73 9.56 5.69 < 5 2 -5 3.69 4.06 5.05 < 6 2 5 13.46 15.03 6.44 < 6 2 -5 13.34 15.23 4.19 o 7 2 5 24.37 32.18 6.50 o 7 2 -5 24.60 22.76 4.37 o 8 2 5 144.51 -1.19 10.08 < 0 3 -5 22.58 22.78 6.04 o 1 3 -5 107.54 93.29 6.57 o 2 3 -5 72.68 67.01 4.84 o 3 3 -5 110.80 104.48 4.44 o 4 3 -5 25.91 22.58 5.47 o 5 3 5 7.12 4.95 6.76 < 5 3 -5 7.16 8.41 5.45 < 6 3 5 36.24 38.33 6.80 o 6 3 -5 36.22 38.69 4.59 o 7 3 5 50.21 46.89 6.79 o 7 3 -5 50.23 49.05 4.79 o 1 4 -5 124.69 121.39 5.02 o 2 4 -5 37.58 32.89 5.44 o 3 4 -5 4.76 4.18 5.63 < 4 4 -5 65.38 63.99 7.47 o 5 4 -5 91.11 95.07 7.37 o 6 4 5 4.41 11.29 7.64 < 6 4 -5 4.38 8.29 7.14 < 0 5 -5 29.70 12.10 8.17 < 1 5 -5 14.59 16.62 5.75 < 2 5 -5 4.01 7.20 5.31 < 3 5 -5 91.83 101.06 5.56 o 4 5 -5 21.73 27.23 5.67 o 5 5 -5 183.77 144.91 11.18 o 1 6 -5 23.90 25.62 5.66 o 2 6 -5 4.42 2.70 5.71 < 3 6 -5 16.61 20.16 5.90 o 4 6 -5 152.55 166.41 6.37 o 0 7 -5 75.21 89.66 9.77 o 1 7 -5 48.57 33.66 6.91 o 2 7 -5 185.10 189.27 10.13 o 0 0 -6 679.76 691.57 10.87 o 2 0 -6 384.86 394.95 6.83 o 4 0 -6 6.09 5.45 5.53 < 6 0 6 118.11 131.33 10.14 o 6 0 -6 118.99 123.43 7.06 o 1 1 -6 81.70 77.07 4.57 o 2 1 -6 55.29 44.08 4.63 o 3 1 -6 33.73 33.41 4.01 o 4 1 -6 81.81 83.37 4.45 o 5 1 -6 19.82 26.22 4.63 o 6 1 6 91.22 109.61 10.24 o 6 1 -6 91.47 91.33 5.40 o 0 2 -6 29.97 29.77 7.15 o 1 2 -6 0.40 3.08 4.89 < 2 2 -6 50.34 45.47 4.53 o 3 2 -6 49.78 47.18 4.61 o 4 2 -6 75.79 79.91 4.57 o 5 2 -6 68.46 63.66 6.38 o 1 3 -6 0.39 1.57 5.99 < 2 3 -6 14.13 17.02 6.56 < 3 3 -6 9.32 9.19 5.55 < 4 3 -6 14.62 18.83 5.39 o 5 3 -6 55.10 55.21 5.54 o 0 4 -6 144.52 166.86 9.16 o 1 4 -6 9.19 2.94 6.28 < 2 4 -6 6.47 3.94 5.83 < 3 4 -6 104.99 119.88 6.13 o 4 4 -6 99.89 97.64 7.05 o 1 5 -6 16.62 12.44 6.76 < 2 5 -6 0.26 1.47 5.63 < 0 1 -7 89.93 87.73 8.26 o 1 1 -7 54.37 49.49 5.58 o