#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000121.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_3000121 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 8.4453(10) _cell_length_b 7.3653(15) _cell_length_c 5.1564(19) _cell_measurement_temperature 273 _cell_volume 320.74(14) _diffrn_ambient_temperature 273 _diffrn_measured_fraction_theta_full 1 _diffrn_measured_fraction_theta_max 1 _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 0.0757 _diffrn_reflns_av_unetI/netI 0.0461 _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 1859 _diffrn_reflns_theta_full 29.17 _diffrn_reflns_theta_max 29.17 _diffrn_reflns_theta_min 3.67 _exptl_absorpt_coefficient_mu 0.23 _exptl_crystal_density_diffrn 2.4719 _exptl_crystal_F_000 232 _refine_diff_density_max 0.31 _refine_diff_density_min -0.30 _refine_ls_abs_structure_details ' 262 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 16900(800) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.98 _refine_ls_goodness_of_fit_ref 1.77 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 743 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0514 _refine_ls_R_factor_gt 0.0365 _refine_ls_shift/su_max 0.0125 _refine_ls_shift/su_mean 0.0023 _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 0.0393 _refine_ls_wR_factor_ref 0.0401 _reflns_number_gt 590 _reflns_number_total 743 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_273K.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 3000121 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 0.4119(7) 0.5677(9) -0.0041(16) Uani 0.0209(19) 4 1 d . . . B1 B 0.5103(4) 0.8359(5) 0.3543(8) Uani 0.0092(10) 4 1 d . . . B2 B 0.6942(4) 0.0567(5) 0.5504(8) Uani 0.0075(10) 4 1 d . . . B3 B 0.6572(4) 0.7509(5) 0.7341(9) Uani 0.0085(10) 4 1 d . . . O1 O 0.5864(2) 0.9962(3) 0.3450(5) Uani 0.0097(6) 4 1 d . . . O2 O 0.3835(2) 0.7950(3) 0.1965(5) Uani 0.0090(7) 4 1 d . . . O3 O 0.5577(2) 0.7024(3) 0.5284(5) Uani 0.0106(7) 4 1 d . . . O4 O 0.7391(2) 0.9093(3) 0.7332(5) Uani 0.0090(6) 4 1 d . . . O5 O 0.6609(2) 0.6260(3) 0.9266(4) Uani 0.0094(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 0.025(3) 0.012(3) 0.025(4) -0.001(2) -0.009(3) -0.001(3) B1 B 0.0103(15) 0.0075(19) 0.0097(19) 0.0018(13) 0.0026(15) -0.0019(17) B2 B 0.0102(16) 0.0054(17) 0.007(2) -0.0012(13) 0.0014(15) 0.0018(16) B3 B 0.0077(13) 0.0059(16) 0.012(2) 0.0034(11) 0.0004(15) -0.0032(20) O1 O 0.0103(9) 0.0081(11) 0.0108(12) -0.0018(8) -0.0021(11) 0.0025(11) O2 O 0.0089(9) 0.0062(11) 0.0120(14) -0.0006(8) -0.0018(10) 0.0006(13) O3 O 0.0108(11) 0.0092(11) 0.0116(13) -0.0002(9) -0.0039(10) 0.0013(12) O4 O 0.0080(9) 0.0091(11) 0.0100(12) -0.0011(8) -0.0010(10) 0.0036(13) O5 O 0.0060(9) 0.0101(12) 0.0120(12) -0.0007(8) -0.0022(9) 0.0022(11) 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_565 122.6(3) B1 O2 B2 . . 2_664 118.9(3) B1 O3 B3 . . . 118.8(3) B2 O4 B3 1_565 . . 120.0(3) B2 O5 B3 4_655 . . 125.0(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 . . 1.345(4) O1 B2 . 1_565 1.466(4) O2 B1 . . 1.378(4) O2 B2 . 2_664 1.480(4) O3 B1 . . 1.391(5) O3 B3 . . 1.399(5) O4 B2 . 1_565 1.487(5) O4 B3 . . 1.357(4) O5 B2 . 4_655 1.471(4) O5 B3 . . 1.353(5) 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 3.69 5.29 5.25 < 4 0 0 419.69 457.22 6.27 o 6 0 0 124.28 110.83 4.96 o 8 0 0 0.37 -0.96 5.12 < 10 0 0 14.09 13.81 6.05 < 1 1 0 434.30 382.62 9.38 o 2 1 0 372.29 392.26 6.24 o 3 1 0 1.00 3.22 3.52 < 4 1 0 6.66 11.89 3.26 o 5 1 0 0.97 -1.15 3.36 < 6 1 0 378.99 381.07 4.13 o 7 1 0 142.43 138.76 3.62 o 8 1 0 323.85 322.24 4.14 o 9 1 0 225.30 265.65 5.07 o 10 1 0 54.65 55.31 5.31 o 11 1 0 20.69 26.62 5.64 o 0 2 0 143.21 132.42 10.09 o 1 2 0 268.76 251.34 7.57 o 2 2 0 427.17 392.24 7.47 o 3 2 0 833.59 859.25 6.14 o 4 2 0 114.49 124.26 4.03 o 5 2 0 673.85 654.80 5.21 o 6 2 0 268.19 284.74 4.34 o 7 2 0 247.54 243.46 4.63 o 8 2 0 35.63 39.11 4.27 o 9 2 0 31.10 39.15 4.64 o 10 2 0 92.09 95.23 5.55 o 11 2 0 2.55 1.06 6.35 < 1 3 0 377.57 391.42 6.79 o 2 3 0 4.08 9.73 5.18 < 3 3 0 103.19 110.29 4.28 o 4 3 0 107.45 102.81 4.10 o 5 3 0 23.78 24.75 3.80 o 6 3 0 120.47 124.25 4.15 o 7 3 0 249.20 257.77 4.51 o 8 3 0 13.89 19.11 4.65 o 9 3 0 296.77 282.29 5.66 o 10 3 0 99.40 91.19 5.96 o 11 3 0 2.48 2.78 7.39 < 0 4 0 45.83 48.56 7.66 o 1 4 0 602.47 567.71 9.98 o 2 4 0 432.70 419.01 6.48 o 3 4 0 424.37 406.53 6.14 o 4 4 0 364.64 369.30 4.90 o 5 4 0 177.48 139.42 4.66 o 6 4 0 157.72 156.57 4.75 o 7 4 0 272.30 269.53 4.94 o 8 4 0 54.96 51.14 5.14 o 9 4 0 30.03 17.83 5.11 o 10 4 0 29.16 30.22 5.95 o 1 5 0 303.28 314.42 6.28 o 2 5 0 100.87 86.89 5.71 o 3 5 0 219.05 205.21 6.06 o 4 5 0 11.81 13.37 4.35 o 5 5 0 226.96 208.58 5.03 o 6 5 0 16.10 20.26 4.53 o 7 5 0 122.35 128.71 5.19 o 8 5 0 0.04 0.16 5.41 < 9 5 0 39.46 45.30 5.46 o 10 5 0 0.44 -1.78 12.16 < 0 6 0 6.39 16.33 8.87 < 1 6 0 56.94 51.42 5.75 o 2 6 0 617.70 572.04 9.92 o 3 6 0 45.73 55.65 5.86 o 4 6 0 12.47 15.42 4.63 o 5 6 0 133.82 135.92 5.16 o 6 6 0 1.51 3.44 5.06 < 7 6 0 19.40 12.94 5.41 < 8 6 0 0.77 1.52 5.69 < 9 6 0 0.35 7.76 6.78 < 1 7 0 77.40 82.87 6.07 o 2 7 0 147.67 161.91 6.42 o 3 7 0 418.16 388.81 9.95 o 4 7 0 268.97 258.31 5.58 o 5 7 0 78.31 76.35 5.56 o 6 7 0 16.46 18.64 5.60 o 7 7 0 73.01 76.90 6.11 o 8 7 0 7.40 10.96 6.53 < 0 8 0 2.57 10.87 10.30 < 1 8 0 6.74 1.82 6.99 < 2 8 0 16.69 22.66 7.16 o 3 8 0 285.73 280.23 8.15 o 4 8 0 79.95 93.75 7.81 o 5 8 0 4.23 9.97 6.14 < 6 8 0 36.70 50.67 6.63 o 7 8 0 4.88 14.75 6.78 < 1 9 0 0.92 3.40 7.99 < 2 9 0 138.82 126.17 8.36 o 3 9 0 0.53 -0.20 7.90 < 4 9 0 45.85 53.06 7.09 o 5 9 0 254.37 257.51 7.76 o 0 10 0 63.02 79.25 13.84 o 1 10 0 45.35 52.38 9.82 o 2 0 1 2333.17 2097.58 21.53 o 2 0 -1 2333.70 2786.97 16.90 o 4 0 1 2116.32 2018.45 14.10 o 4 0 -1 2117.98 2285.79 10.27 o 6 0 1 230.48 239.99 7.34 o 6 0 -1 230.48 235.69 5.15 o 8 0 1 218.30 207.76 7.88 o 8 0 -1 218.49 221.17 5.56 o 10 0 1 36.98 39.67 8.93 o 10 0 -1 36.87 34.54 6.71 o 0 1 -1 39.39 34.22 9.06 o 1 1 1 1134.40 1020.16 13.78 o 1 1 -1 1134.33 1229.37 11.99 o 2 1 1 1593.59 1672.40 10.47 o 2 1 -1 1594.02 1697.31 10.44 o 3 1 1 1134.80 1587.11 7.79 o 3 1 -1 1136.01 1225.82 6.26 o 4 1 1 505.01 662.94 5.23 o 4 1 -1 506.08 511.61 4.26 o 5 1 1 165.75 163.10 4.43 o 5 1 -1 165.62 170.87 3.49 o 6 1 1 86.94 86.52 4.43 o 6 1 -1 87.08 90.91 3.73 o 7 1 1 73.57 73.48 4.11 o 7 1 -1 73.21 76.51 3.55 o 8 1 1 73.01 73.07 4.35 o 8 1 -1 72.66 69.23 3.75 o 9 1 1 66.43 63.52 4.92 o 9 1 -1 66.28 66.67 4.22 o 10 1 1 227.13 217.89 6.59 o 10 1 -1 226.99 220.49 5.00 o 11 1 1 0.94 1.45 6.96 < 11 1 -1 0.98 2.89 5.67 < 1 2 1 646.86 686.23 8.84 o 1 2 -1 646.29 558.34 9.54 o 2 2 1 1697.44 1775.50 10.04 o 2 2 -1 1696.35 1397.24 10.86 o 3 2 1 150.95 166.85 4.69 o 3 2 -1 150.91 158.37 4.52 o 4 2 1 264.88 283.12 4.47 o 4 2 -1 265.16 283.82 3.96 o 5 2 1 24.29 29.77 3.80 o 5 2 -1 24.33 24.76 3.37 o 6 2 1 201.22 180.00 4.57 o 6 2 -1 201.51 211.62 3.78 o 7 2 1 255.07 239.19 4.65 o 7 2 -1 255.10 252.15 3.85 o 8 2 1 74.38 75.39 4.41 o 8 2 -1 73.99 77.12 3.81 o 9 2 1 1.88 4.53 4.93 < 9 2 -1 1.89 1.09 4.91 < 10 2 1 29.63 33.16 5.48 o 10 2 -1 29.64 34.68 5.46 o 11 2 1 36.69 36.30 7.80 o 11 2 -1 36.71 34.16 6.55 o 0 3 1 1554.76 1232.58 21.15 o 0 3 -1 1552.09 1695.29 14.38 o 1 3 1 160.63 179.54 6.21 o 1 3 -1 160.53 183.41 6.57 o 2 3 1 257.98 287.06 5.38 o 2 3 -1 257.83 263.41 6.39 o 3 3 1 432.67 465.41 5.35 o 3 3 -1 432.99 405.66 6.76 o 4 3 1 68.40 82.22 4.30 o 4 3 -1 68.40 75.58 5.50 o 5 3 1 323.81 309.80 4.82 o 5 3 -1 323.68 315.92 4.80 o 6 3 1 201.75 200.69 4.73 o 6 3 -1 201.45 207.81 4.54 o 7 3 1 252.11 237.67 4.74 o 7 3 -1 252.24 259.08 4.53 o 8 3 1 282.99 283.72 4.87 o 8 3 -1 283.35 289.46 5.10 o 9 3 1 108.19 97.97 5.20 o 9 3 -1 108.17 99.58 4.98 o 10 3 1 7.35 5.69 5.69 < 10 3 -1 7.32 8.54 5.69 < 1 4 1 508.95 432.30 11.56 o 1 4 -1 508.65 479.96 8.29 o 2 4 1 636.06 640.44 6.11 o 2 4 -1 635.21 599.82 7.14 o 3 4 1 29.55 30.31 4.21 o 3 4 -1 29.37 31.13 5.47 o 4 4 1 16.17 16.74 4.45 o 4 4 -1 16.22 16.52 5.11 o 5 4 1 302.64 312.59 4.89 o 5 4 -1 303.05 306.56 4.87 o 6 4 1 19.82 23.49 4.76 o 6 4 -1 19.81 18.32 4.33 o 7 4 1 59.69 64.77 5.13 o 7 4 -1 59.89 66.68 4.63 o 8 4 1 90.09 81.45 4.79 o 8 4 -1 89.91 87.00 5.05 o 9 4 1 101.09 99.63 5.80 o 9 4 -1 101.10 98.17 5.26 o 10 4 1 61.76 56.87 5.84 o 10 4 -1 61.66 59.07 5.74 o 0 5 1 55.03 61.23 9.96 o 0 5 -1 54.77 62.91 7.86 o 1 5 1 78.46 91.54 6.81 o 1 5 -1 78.42 75.65 5.63 o 2 5 1 14.01 19.18 5.46 o 2 5 -1 14.07 14.17 5.48 < 3 5 1 73.84 80.00 5.00 o 3 5 -1 74.02 77.46 6.05 o 4 5 1 81.75 83.72 4.77 o 4 5 -1 81.64 82.54 6.24 o 5 5 1 397.52 379.33 5.22 o 5 5 -1 397.31 371.33 5.20 o 6 5 1 22.84 20.62 4.84 o 6 5 -1 22.63 24.11 4.55 o 7 5 1 151.45 145.85 5.31 o 7 5 -1 151.36 150.08 5.29 o 8 5 1 23.07 25.31 5.54 o 8 5 -1 23.16 30.30 5.25 o 9 5 1 10.69 14.32 6.07 < 9 5 -1 10.69 12.56 5.78 < 1 6 1 301.25 298.24 7.81 o 1 6 -1 301.22 296.63 6.39 o 2 6 1 181.23 177.11 6.64 o 2 6 -1 181.80 174.32 5.41 o 3 6 1 88.78 94.70 5.10 o 3 6 -1 88.75 82.44 5.99 o 4 6 1 65.81 60.79 5.19 o 4 6 -1 65.56 69.40 5.71 o 5 6 1 79.62 75.69 5.38 o 5 6 -1 79.20 74.34 5.92 o 6 6 1 9.10 4.67 5.14 < 6 6 -1 9.11 11.37 5.12 < 7 6 1 7.34 12.19 5.31 < 7 6 -1 7.36 2.23 5.45 < 8 6 1 1.89 2.50 6.02 < 8 6 -1 1.94 8.35 5.71 < 9 6 1 111.30 107.69 6.85 o 9 6 -1 111.31 105.87 6.19 o 0 7 1 532.95 480.00 12.31 o 0 7 -1 533.75 547.57 8.91 o 1 7 1 321.67 311.86 8.00 o 1 7 -1 322.01 338.81 6.69 o 2 7 1 82.75 83.81 7.14 o 2 7 -1 83.03 73.74 5.96 o 3 7 1 233.39 242.92 6.08 o 3 7 -1 233.07 227.03 9.43 o 4 7 1 0.02 -1.11 5.79 < 4 7 -1 0.02 4.83 6.55 < 5 7 1 34.45 35.95 5.83 o 5 7 -1 34.46 29.11 6.45 o 6 7 1 21.86 25.29 5.93 o 6 7 -1 22.05 16.55 5.64 < 7 7 1 62.97 73.05 6.48 o 7 7 -1 62.77 77.60 6.17 o 8 7 1 42.04 41.79 7.11 o 8 7 -1 41.75 40.52 6.80 o 1 8 1 61.68 68.64 8.07 o 1 8 -1 61.95 75.88 6.83 o 2 8 1 140.76 147.61 8.39 o 2 8 -1 141.34 148.34 7.06 o 3 8 1 34.43 44.80 6.51 o 3 8 -1 34.41 42.50 7.08 o 4 8 1 101.12 99.27 6.65 o 4 8 -1 101.03 102.96 7.04 o 5 8 1 76.38 72.47 6.36 o 5 8 -1 76.19 74.01 6.57 o 6 8 1 21.33 31.54 6.95 o 6 8 -1 21.21 28.11 6.42 o 0 9 1 33.94 37.71 13.28 < 0 9 -1 34.24 46.37 10.84 o 1 9 1 2.51 6.49 9.40 < 1 9 -1 2.54 2.89 7.62 < 2 9 1 2.08 1.54 7.80 < 2 9 -1 2.07 5.88 7.72 < 3 9 1 38.24 41.87 7.62 o 3 9 -1 38.05 48.42 7.49 o 4 9 1 167.43 172.07 7.98 o 4 9 -1 167.51 198.31 8.58 o 5 9 -1 11.97 12.95 10.57 < 0 0 -2 328.68 356.68 9.88 o 2 0 2 629.03 567.34 9.46 o 2 0 -2 630.15 555.46 10.49 o 4 0 2 16.53 14.21 6.49 < 4 0 -2 16.45 17.04 4.87 o 6 0 2 120.61 115.68 7.35 o 6 0 -2 121.12 113.65 5.40 o 8 0 2 580.68 553.77 9.06 o 8 0 -2 579.29 575.49 6.34 o 10 0 2 4.00 13.52 9.07 < 10 0 -2 3.85 6.27 6.92 < 1 1 2 759.07 750.44 8.69 o 1 1 -2 759.04 667.78 8.08 o 2 1 2 688.81 621.24 7.52 o 2 1 -2 689.65 713.23 6.65 o 3 1 2 398.37 385.43 6.04 o 3 1 -2 398.97 418.19 5.03 o 4 1 2 357.98 366.37 5.88 o 4 1 -2 358.23 384.85 4.26 o 5 1 2 242.74 243.72 5.60 o 5 1 -2 243.27 247.27 3.91 o 6 1 2 61.28 63.92 4.97 o 6 1 -2 61.25 59.53 3.44 o 7 1 2 43.31 53.63 5.51 o 7 1 -2 43.38 42.65 3.89 o 8 1 2 5.72 5.28 5.43 < 8 1 -2 5.80 9.46 4.08 < 9 1 2 21.76 24.22 5.97 o 9 1 -2 21.77 22.40 4.33 o 10 1 2 8.07 4.88 6.45 < 10 1 -2 8.01 7.13 4.98 < 11 1 2 22.71 25.20 7.44 o 11 1 -2 22.70 27.40 7.36 o 0 2 -2 670.66 776.01 9.74 o 1 2 2 768.78 754.75 10.23 o 1 2 -2 768.36 835.12 9.14 o 2 2 2 236.18 230.57 6.40 o 2 2 -2 236.42 253.34 5.33 o 3 2 2 328.58 338.84 6.03 o 3 2 -2 328.32 347.12 5.14 o 4 2 2 635.40 623.78 6.60 o 4 2 -2 635.27 649.47 5.32 o 5 2 2 174.32 167.52 5.23 o 5 2 -2 174.13 162.81 4.02 o 6 2 2 422.90 413.52 5.77 o 6 2 -2 423.11 418.81 4.31 o 7 2 2 44.71 46.23 5.63 o 7 2 -2 44.47 46.02 4.07 o 8 2 2 26.73 30.80 5.99 o 8 2 -2 26.67 22.41 4.06 o 9 2 2 19.35 27.87 6.52 o 9 2 -2 19.35 19.81 4.41 o 10 2 2 29.88 29.88 6.61 o 10 2 -2 29.64 33.32 5.09 o 1 3 -2 466.23 517.59 8.28 o 2 3 2 198.73 213.05 6.91 o 2 3 -2 198.61 203.66 6.55 o 3 3 2 407.84 418.49 5.84 o 3 3 -2 407.95 381.02 7.01 o 4 3 2 209.65 213.32 4.86 o 4 3 -2 209.80 210.19 5.91 o 5 3 2 309.66 321.57 4.94 o 5 3 -2 310.11 302.11 4.90 o 6 3 2 107.48 109.21 4.72 o 6 3 -2 107.54 112.15 4.08 o 7 3 2 13.54 15.15 4.57 o 7 3 -2 13.49 11.11 4.53 < 8 3 2 261.47 258.78 6.99 o 8 3 -2 261.05 254.34 5.21 o 9 3 2 11.06 10.23 6.78 < 9 3 -2 11.18 13.52 5.33 < 10 3 2 64.32 59.39 7.63 o 10 3 -2 64.37 63.07 6.03 o 0 4 -2 149.04 146.44 8.03 o 1 4 -2 231.48 234.98 5.48 o 2 4 2 14.61 21.77 6.05 o 2 4 -2 14.58 15.32 6.69 < 3 4 2 359.78 364.86 5.97 o 3 4 -2 359.91 335.23 7.09 o 4 4 2 481.50 487.00 5.73 o 4 4 -2 481.12 410.57 6.59 o 5 4 2 52.35 55.36 4.90 o 5 4 -2 52.34 46.12 5.76 o 6 4 2 421.79 424.62 5.41 o 6 4 -2 421.62 395.71 5.30 o 7 4 2 95.90 100.22 5.37 o 7 4 -2 96.11 96.86 4.87 o 8 4 2 7.32 11.02 5.47 < 8 4 -2 7.31 10.32 4.86 < 9 4 2 49.36 55.02 7.21 o 9 4 -2 49.62 44.84 5.41 o 10 4 2 19.46 10.52 8.06 < 10 4 -2 19.24 12.86 6.34 < 1 5 -2 411.40 433.81 6.08 o 2 5 2 240.82 245.99 9.70 o 2 5 -2 240.54 238.02 7.60 o 3 5 2 23.17 25.10 5.44 o 3 5 -2 23.10 25.04 6.08 o 4 5 2 114.11 117.37 5.37 o 4 5 -2 113.76 104.19 6.42 o 5 5 2 115.71 115.72 5.32 o 5 5 -2 116.00 129.69 6.62 o 6 5 2 2.15 2.23 4.94 < 6 5 -2 2.15 5.02 4.69 < 7 5 2 32.12 17.02 5.83 < 7 5 -2 32.11 32.19 5.30 o 8 5 2 73.07 72.93 5.89 o 8 5 -2 73.08 62.53 5.60 o 9 5 2 28.50 29.91 6.48 o 9 5 -2 28.54 25.79 6.40 o 0 6 -2 330.49 306.43 9.09 o 1 6 2 245.43 243.50 11.09 o 1 6 -2 245.81 239.50 6.28 o 2 6 2 152.80 164.30 8.21 o 2 6 -2 152.64 154.63 6.09 o 3 6 2 36.17 40.04 8.49 o 3 6 -2 35.96 43.19 6.80 o 4 6 2 35.69 35.02 5.73 o 4 6 -2 35.96 26.62 6.66 o 5 6 2 121.31 129.41 5.79 o 5 6 -2 121.40 112.20 7.08 o 6 6 2 0.59 3.54 5.88 < 6 6 -2 0.63 6.65 5.36 < 7 6 2 82.16 99.11 5.93 o 7 6 -2 82.09 76.92 5.85 o 8 6 2 18.73 27.51 6.40 o 8 6 -2 18.82 21.77 6.34 o 1 7 2 123.61 124.16 10.50 o 1 7 -2 123.78 118.63 5.65 o 2 7 2 23.75 20.46 8.54 < 2 7 -2 23.83 23.55 5.99 o 3 7 2 11.60 14.22 7.64 < 3 7 -2 11.61 24.16 6.54 o 4 7 2 6.25 17.00 8.73 < 4 7 -2 6.24 12.04 7.58 < 5 7 2 80.45 88.85 6.47 o 5 7 -2 79.84 69.85 7.23 o 6 7 2 1.41 5.18 6.70 < 6 7 -2 1.41 3.30 5.90 < 7 7 2 29.63 39.93 7.08 o 7 7 -2 29.58 23.15 6.73 o 0 8 -2 306.96 314.44 10.35 o 1 8 2 7.73 14.22 12.56 < 1 8 -2 7.77 10.82 6.04 < 2 8 2 7.90 11.49 10.08 < 2 8 -2 8.04 8.93 6.06 < 3 8 2 56.37 59.25 9.15 o 3 8 -2 56.34 56.24 6.83 o 4 8 2 71.30 75.65 8.67 o 4 8 -2 71.67 73.95 6.65 o 5 8 2 100.26 111.70 10.17 o 5 8 -2 100.37 103.70 9.94 o 6 8 2 10.08 14.22 7.93 < 6 8 -2 9.96 7.99 7.29 < 1 9 -2 34.02 41.50 7.96 o 2 9 2 53.07 57.68 17.68 o 2 9 -2 53.16 55.95 7.56 o 3 9 2 50.26 57.95 11.78 o 3 9 -2 49.88 68.12 7.19 o 4 9 2 24.55 30.99 10.71 < 4 9 -2 24.47 34.21 8.16 o 2 0 3 225.27 229.28 8.48 o 2 0 -3 225.10 214.31 8.39 o 4 0 3 31.50 40.89 8.02 o 4 0 -3 31.50 34.78 5.49 o 6 0 3 264.43 250.78 9.06 o 6 0 -3 264.02 267.23 5.91 o 8 0 3 58.05 52.34 9.53 o 8 0 -3 57.82 53.60 6.25 o 10 0 3 122.58 130.23 10.39 o 10 0 -3 122.92 118.14 7.75 o 0 1 -3 106.33 101.32 5.63 o 1 1 -3 527.49 492.07 6.80 o 2 1 3 187.08 195.04 5.90 o 2 1 -3 186.75 183.29 6.17 o 3 1 3 423.13 401.83 6.40 o 3 1 -3 422.84 424.09 5.25 o 4 1 3 306.71 302.15 5.89 o 4 1 -3 307.02 312.35 5.04 o 5 1 3 145.28 149.56 6.03 o 5 1 -3 145.30 155.49 3.91 o 6 1 3 116.88 118.11 5.72 o 6 1 -3 116.28 117.77 3.85 o 7 1 3 126.93 131.57 6.01 o 7 1 -3 126.84 119.86 4.10 o 8 1 3 26.27 35.33 6.34 o 8 1 -3 26.35 23.43 4.41 o 9 1 3 73.00 73.92 6.49 o 9 1 -3 73.26 82.20 4.92 o 10 1 3 5.26 2.91 7.74 < 10 1 -3 5.31 8.97 5.04 < 1 2 -3 177.93 186.85 4.96 o 2 2 3 58.09 66.88 5.88 o 2 2 -3 58.44 61.68 5.31 o 3 2 3 221.59 226.77 6.07 o 3 2 -3 221.43 229.52 5.39 o 4 2 3 383.01 366.46 6.45 o 4 2 -3 382.33 387.50 5.46 o 5 2 3 288.00 277.79 6.33 o 5 2 -3 288.45 287.47 5.15 o 6 2 3 105.19 115.73 6.10 o 6 2 -3 105.17 111.62 4.14 o 7 2 3 8.10 11.19 5.86 < 7 2 -3 8.05 7.58 4.14 < 8 2 3 33.25 41.65 6.49 o 8 2 -3 33.12 40.57 4.35 o 9 2 3 26.82 29.69 6.61 o 9 2 -3 26.71 17.56 4.62 o 10 2 3 53.18 51.34 7.40 o 10 2 -3 53.32 48.18 5.41 o 0 3 -3 765.49 762.62 8.93 o 1 3 -3 233.63 240.90 5.26 o 2 3 3 36.62 36.14 7.10 o 2 3 -3 36.61 35.32 6.01 o 3 3 3 12.47 3.98 5.91 < 3 3 -3 12.44 16.69 5.04 o 4 3 3 227.32 219.13 6.55 o 4 3 -3 227.36 215.67 5.60 o 5 3 3 18.07 17.58 5.50 o 5 3 -3 18.04 21.60 4.59 o 6 3 3 333.47 331.48 6.78 o 6 3 -3 333.67 343.75 4.62 o 7 3 3 51.68 47.96 6.19 o 7 3 -3 51.74 58.16 4.34 o 8 3 3 15.51 16.32 6.70 < 8 3 -3 15.40 14.33 4.84 < 9 3 3 52.43 54.98 7.36 o 9 3 -3 52.52 53.20 5.82 o 1 4 -3 54.85 63.39 5.34 o 2 4 3 329.23 0.02 5.93 < 2 4 -3 329.09 340.41 7.82 o 3 4 3 368.51 349.98 8.13 o 3 4 -3 368.47 340.93 7.99 o 4 4 3 106.07 107.65 6.50 o 4 4 -3 106.29 100.58 6.71 o 5 4 3 7.64 10.00 6.52 < 5 4 -3 7.71 11.06 6.47 < 6 4 3 122.71 125.12 6.33 o 6 4 -3 122.70 113.70 5.22 o 7 4 3 10.63 14.39 6.86 < 7 4 -3 10.79 17.81 5.10 o 8 4 3 133.85 149.60 7.78 o 8 4 -3 134.14 126.85 5.96 o 9 4 3 70.58 69.91 7.88 o 9 4 -3 70.45 74.01 6.50 o 0 5 -3 247.66 239.26 7.65 o 1 5 -3 144.99 146.18 5.32 o 2 5 -3 214.14 200.23 5.77 o 3 5 3 685.20 556.12 20.66 o 3 5 -3 685.01 611.80 10.64 o 4 5 3 47.71 52.03 7.40 o 4 5 -3 47.81 42.42 7.63 o 5 5 3 6.62 12.35 7.29 < 5 5 -3 6.61 12.15 7.19 < 6 5 3 81.23 70.96 7.01 o 6 5 -3 81.20 73.27 7.01 o 7 5 3 5.68 7.48 7.35 < 7 5 -3 5.74 6.08 5.96 < 8 5 3 45.33 45.28 8.11 o 8 5 -3 45.31 44.93 6.00 o 1 6 -3 8.84 6.56 5.74 < 2 6 -3 78.19 76.44 5.51 o 3 6 -3 71.94 79.65 5.62 o 4 6 3 59.73 57.74 15.39 o 4 6 -3 59.74 57.78 8.56 o 5 6 3 42.98 39.08 7.91 o 5 6 -3 42.90 36.39 7.83 o 6 6 3 0.64 -0.68 7.86 < 6 6 -3 0.67 3.46 7.33 < 7 6 3 104.33 113.10 8.30 o 7 6 -3 104.27 106.45 6.40 o 0 7 -3 21.36 25.62 9.35 < 1 7 -3 10.28 10.96 6.23 < 2 7 -3 15.99 22.78 6.38 o 3 7 -3 15.99 20.36 6.52 o 4 7 -3 15.87 19.45 6.31 o 5 7 3 55.45 57.38 16.76 o 5 7 -3 55.45 52.00 9.54 o 6 7 3 55.00 55.79 9.35 o 6 7 -3 55.22 63.54 9.25 o 1 8 -3 25.45 33.42 6.95 o 2 8 -3 90.30 100.25 7.32 o 3 8 -3 0.78 11.10 7.31 < 4 8 -3 16.97 18.70 7.50 < 5 8 -3 1.97 -3.21 8.01 < 0 9 -3 85.39 109.65 10.51 o 1 9 -3 151.39 164.43 8.18 o 0 0 -4 267.14 259.60 8.74 o 2 0 -4 381.90 378.40 9.09 o 4 0 4 158.34 151.60 8.68 o 4 0 -4 157.37 155.69 6.08 o 6 0 4 87.22 98.13 9.18 o 6 0 -4 87.51 81.44 6.48 o 8 0 4 143.57 143.00 9.34 o 8 0 -4 144.18 147.37 6.56 o 1 1 -4 225.75 220.74 4.46 o 2 1 -4 34.50 37.14 5.63 o 3 1 4 135.08 140.48 5.65 o 3 1 -4 135.14 135.26 4.86 o 4 1 4 265.77 263.82 6.73 o 4 1 -4 265.10 273.06 5.19 o 5 1 4 108.99 115.70 6.29 o 5 1 -4 108.59 103.76 4.26 o 6 1 4 17.64 18.91 5.64 o 6 1 -4 17.70 21.76 4.51 o 7 1 4 6.27 12.64 6.43 < 7 1 -4 6.33 11.80 4.47 < 8 1 4 27.19 29.50 7.02 o 8 1 -4 27.04 24.66 4.74 o 9 1 4 10.84 13.79 7.77 < 9 1 -4 10.91 15.94 5.22 o 0 2 -4 296.39 285.18 7.41 o 1 2 -4 75.84 72.76 4.85 o 2 2 -4 70.14 73.04 5.63 o 3 2 4 157.89 159.59 6.56 o 3 2 -4 158.15 156.60 5.18 o 4 2 4 343.61 345.83 7.05 o 4 2 -4 343.33 341.92 5.46 o 5 2 4 178.65 170.12 6.62 o 5 2 -4 178.67 184.57 5.58 o 6 2 4 5.66 11.61 6.02 < 6 2 -4 5.64 3.09 4.26 < 7 2 4 46.54 54.34 7.03 o 7 2 -4 46.41 45.09 4.62 o 8 2 4 41.74 50.28 7.74 o 8 2 -4 41.98 43.01 5.07 o 9 2 4 18.14 25.71 8.47 o 9 2 -4 17.98 22.41 5.54 o 1 3 -4 94.62 90.98 5.83 o 2 3 -4 304.66 297.36 5.62 o 3 3 4 76.96 80.29 7.26 o 3 3 -4 77.25 78.85 5.94 o 4 3 4 21.91 14.44 6.57 < 4 3 -4 22.04 24.87 5.42 o 5 3 4 195.62 204.08 6.98 o 5 3 -4 195.10 159.04 5.89 o 6 3 4 4.68 7.27 6.82 < 6 3 -4 4.67 3.67 4.75 < 7 3 4 109.75 112.69 7.06 o 7 3 -4 109.50 109.39 4.91 o 8 3 4 41.00 39.16 7.56 o 8 3 -4 41.19 32.84 5.44 o 0 4 -4 144.47 135.26 8.64 o 1 4 -4 191.38 191.64 5.44 o 2 4 -4 17.17 19.50 5.23 o 3 4 -4 30.29 34.57 9.40 o 4 4 4 13.84 14.86 7.69 < 4 4 -4 13.85 13.61 7.54 < 5 4 4 124.40 121.36 7.47 o 5 4 -4 124.54 119.99 7.72 o 6 4 4 211.23 222.24 8.04 o 6 4 -4 211.46 234.05 7.52 o 7 4 4 26.72 22.40 7.30 o 7 4 -4 26.55 28.99 6.01 o 8 4 4 30.37 27.82 8.45 o 8 4 -4 30.28 24.34 6.83 o 1 5 -4 170.55 175.73 6.17 o 2 5 -4 10.47 -4.20 5.98 < 3 5 -4 55.84 67.58 5.68 o 4 5 -4 24.28 22.01 10.57 < 5 5 4 1.89 3.34 8.46 < 5 5 -4 1.85 1.92 8.40 < 6 5 4 25.40 37.75 8.68 o 6 5 -4 25.45 33.89 8.55 o 7 5 4 60.48 63.55 8.39 o 7 5 -4 60.49 66.35 6.79 o 0 6 -4 457.96 471.13 9.14 o 1 6 -4 61.43 53.71 5.91 o 2 6 -4 17.85 24.81 5.95 o 3 6 -4 11.52 16.33 6.11 < 4 6 -4 10.90 9.34 6.31 < 5 6 -4 4.25 11.22 12.41 < 6 6 4 17.19 17.12 10.74 < 6 6 -4 17.38 13.32 9.76 < 1 7 -4 166.85 172.59 6.64 o 2 7 -4 70.73 79.67 6.65 o 3 7 -4 4.54 9.05 6.68 < 4 7 -4 19.75 20.71 6.97 < 5 7 -4 62.87 57.82 7.45 o 0 8 -4 95.61 122.79 10.35 o 1 8 -4 21.64 33.45 7.79 o 2 8 -4 34.82 27.32 7.98 o 2 0 -5 982.20 919.53 8.07 o 4 0 5 7.47 6.56 9.16 < 4 0 -5 7.57 4.40 6.47 < 6 0 5 91.70 99.15 10.52 o 6 0 -5 91.71 85.23 7.44 o 8 0 5 6.09 -0.59 10.63 < 8 0 -5 6.10 9.26 7.35 < 0 1 -5 476.18 466.46 7.11 o 1 1 -5 113.62 108.55 4.74 o 2 1 -5 22.49 23.55 4.66 o 3 1 -5 18.79 22.01 5.60 o 4 1 5 26.45 25.49 7.04 o 4 1 -5 26.38 29.20 5.29 o 5 1 5 89.28 90.32 6.62 o 5 1 -5 89.18 86.19 5.09 o 6 1 5 20.14 25.30 6.95 o 6 1 -5 20.07 23.95 5.00 o 7 1 5 59.98 63.08 7.51 o 7 1 -5 60.19 60.45 5.64 o 8 1 5 50.09 56.20 8.28 o 8 1 -5 50.36 58.77 5.55 o 1 2 -5 44.66 45.04 5.06 o 2 2 -5 67.06 73.04 4.45 o 3 2 -5 98.37 102.90 4.77 o 4 2 -5 2.06 2.85 5.65 < 5 2 5 2.39 8.64 7.02 < 5 2 -5 2.36 5.88 6.18 < 6 2 5 9.18 14.89 7.54 < 6 2 -5 9.08 9.61 5.24 < 7 2 5 17.69 28.02 8.18 o 7 2 -5 17.89 18.80 5.88 o 0 3 -5 28.49 21.49 7.80 < 1 3 -5 97.16 89.29 7.62 o 2 3 -5 56.81 65.90 5.76 o 3 3 -5 89.26 95.94 5.49 o 4 3 -5 26.58 26.76 6.59 o 5 3 5 4.92 7.68 8.21 < 5 3 -5 4.96 5.55 6.86 < 6 3 5 32.94 33.68 7.84 o 6 3 -5 32.93 32.68 5.66 o 7 3 5 46.65 40.86 8.63 o 7 3 -5 46.67 38.54 6.14 o 1 4 -5 110.86 120.02 6.43 o 2 4 -5 35.73 51.05 6.39 o 3 4 -5 3.92 8.19 6.53 < 4 4 -5 61.31 56.76 7.43 o 5 4 -5 81.74 85.93 9.19 o 6 4 5 4.72 9.40 9.26 < 6 4 -5 4.69 12.29 9.26 < 0 5 -5 25.81 42.10 8.70 o 1 5 -5 17.34 14.21 6.60 < 2 5 -5 2.07 5.67 6.22 < 3 5 -5 76.96 88.71 6.61 o 4 5 -5 17.95 37.11 6.70 o 5 5 -5 163.32 182.57 10.34 o 1 6 -5 22.83 23.05 6.69 o 2 6 -5 2.30 -3.11 6.78 < 3 6 -5 14.03 14.08 6.95 < 4 6 -5 135.66 154.98 7.49 o 0 7 -5 80.65 79.58 10.42 o 1 7 -5 37.76 43.85 7.99 o 0 0 -6 585.69 568.94 12.91 o 2 0 -6 330.01 334.47 8.76 o 4 0 -6 8.99 9.77 6.54 < 6 0 6 101.06 105.83 12.66 o 6 0 -6 101.83 96.95 8.89 o 1 1 -6 71.88 74.44 5.27 o 2 1 -6 51.70 50.14 5.39 o 3 1 -6 28.30 22.82 4.97 o 4 1 -6 73.39 72.16 5.35 o 5 1 -6 21.11 19.91 5.99 o 6 1 -6 83.81 90.99 10.69 o 0 2 -6 26.83 22.65 8.41 < 1 2 -6 0.55 4.38 5.90 < 2 2 -6 47.48 42.78 5.49 o 3 2 -6 39.02 45.44 5.40 o 4 2 -6 61.61 67.98 5.57 o 5 2 -6 60.72 53.06 7.24 o 1 3 -6 0.39 3.79 7.41 < 2 3 -6 14.04 16.42 7.73 < 3 3 -6 7.09 7.72 6.72 < 4 3 -6 10.73 12.87 6.43 < 5 3 -6 49.48 44.94 6.49 o 0 4 -6 124.58 138.63 11.51 o 1 4 -6 4.32 10.20 6.90 < 2 4 -6 7.28 11.84 6.88 < 3 4 -6 89.41 109.99 7.32 o 4 4 -6 80.27 89.71 12.25 o 1 5 -6 15.57 17.28 7.36 < 2 5 -6 0.13 8.82 10.58 < 0 1 -7 79.06 81.38 9.99 o 1 1 -7 45.39 47.12 8.18 o