#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000118.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_3000118 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 8.5010(12) _cell_length_b 7.4043(18) _cell_length_c 5.211(2) _cell_measurement_temperature 198 _cell_volume 328.00(16) _diffrn_ambient_temperature 198 _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 0.0393 _diffrn_reflns_av_unetI/netI 0.0401 _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 1884 _diffrn_reflns_theta_full 29.17 _diffrn_reflns_theta_max 29.18 _diffrn_reflns_theta_min 3.65 _exptl_absorpt_coefficient_mu 0.225 _exptl_crystal_density_diffrn 2.4171 _exptl_crystal_F_000 232 _refine_diff_density_max 0.17 _refine_diff_density_min -0.16 _refine_ls_abs_structure_details ' 264 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 6300(400) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.23 _refine_ls_goodness_of_fit_ref 1.14 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 750 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0373 _refine_ls_R_factor_gt 0.0259 _refine_ls_shift/su_max 0.0300 _refine_ls_shift/su_mean 0.0054 _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 0.0235 _refine_ls_wR_factor_ref 0.0245 _reflns_number_gt 607 _reflns_number_total 750 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_198K.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 328.02(17) _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000118 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 0.4142(4) 0.5677(5) -0.0054(9) Uani 0.0155(10) 4 1 d . . . B1 B 0.5094(2) 0.8358(3) 0.3530(5) Uani 0.0083(6) 4 1 d . . . B2 B 0.6942(2) 0.0571(3) 0.5503(5) Uani 0.0071(6) 4 1 d . . . B3 B 0.6574(2) 0.7513(3) 0.7331(5) Uani 0.0078(6) 4 1 d . . . O1 O 0.58609(12) 0.99649(19) 0.3462(3) Uani 0.0079(4) 4 1 d . . . O2 O 0.38339(13) 0.79463(18) 0.1970(3) Uani 0.0080(4) 4 1 d . . . O3 O 0.55826(13) 0.70187(20) 0.5280(3) Uani 0.0085(4) 4 1 d . . . O4 O 0.73967(14) 0.90981(17) 0.7325(3) Uani 0.0074(4) 4 1 d . . . O5 O 0.65982(14) 0.62579(19) 0.9271(3) Uani 0.0081(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 0.0178(15) 0.0096(16) 0.019(2) 0.0001(13) -0.0027(15) -0.0013(17) B1 B 0.0091(9) 0.0079(12) 0.0078(11) 0.0024(8) 0.0038(9) -0.0028(10) B2 B 0.0092(10) 0.0053(10) 0.0067(12) -0.0003(8) -0.0003(9) 0.0001(10) B3 B 0.0060(8) 0.0065(10) 0.0108(12) 0.0028(6) 0.0013(9) -0.0032(12) O1 O 0.0097(5) 0.0062(6) 0.0079(7) -0.0006(5) -0.0026(6) 0.0014(6) O2 O 0.0085(6) 0.0059(6) 0.0096(8) -0.0002(5) -0.0011(6) 0.0009(7) O3 O 0.0100(6) 0.0071(6) 0.0083(8) -0.0002(5) -0.0012(6) 0.0001(7) O4 O 0.0090(5) 0.0054(6) 0.0078(7) -0.0011(5) -0.0006(6) 0.0028(7) O5 O 0.0071(5) 0.0080(7) 0.0094(7) -0.0006(5) -0.0014(5) 0.0012(6) 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_565 123.18(17) B1 O2 B2 . . 2_664 118.89(16) B1 O3 B3 . . . 118.97(16) B2 O4 B3 1_565 . . 119.69(15) B2 O5 B3 4_655 . . 124.19(14) 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 . . 1.357(3) O1 B2 . 1_565 1.475(3) O2 B1 . . 1.379(3) O2 B2 . 2_664 1.492(3) O3 B1 . . 1.410(3) O3 B3 . . 1.409(3) O4 B2 . 1_565 1.497(3) O4 B3 . . 1.366(2) O5 B2 . 4_655 1.487(2) O5 B3 . . 1.373(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 1.99 1.02 5.08 < 4 0 0 437.33 462.19 5.45 o 6 0 0 142.47 133.84 4.62 o 8 0 0 0.26 4.11 4.80 < 10 0 0 13.58 17.82 5.79 o 1 1 0 420.04 354.72 7.87 o 2 1 0 370.35 351.40 5.29 o 3 1 0 1.08 4.82 3.19 < 4 1 0 5.56 7.66 3.01 < 5 1 0 0.36 1.26 3.23 < 6 1 0 356.12 357.78 3.82 o 7 1 0 132.20 129.73 3.42 o 8 1 0 332.02 334.65 3.78 o 9 1 0 223.75 226.17 4.99 o 10 1 0 58.91 59.31 4.81 o 11 1 0 26.25 26.47 5.40 o 0 2 0 137.25 133.91 9.70 o 1 2 0 275.59 255.87 7.08 o 2 2 0 422.93 392.07 6.45 o 3 2 0 877.64 866.69 5.54 o 4 2 0 124.89 124.86 3.69 o 5 2 0 695.45 670.61 4.68 o 6 2 0 285.52 288.63 4.19 o 7 2 0 238.98 235.21 4.57 o 8 2 0 41.20 39.95 4.38 o 9 2 0 25.57 30.57 4.71 o 10 2 0 95.58 99.41 4.99 o 11 2 0 1.19 0.20 5.49 < 1 3 0 398.41 422.55 6.45 o 2 3 0 4.38 5.81 4.80 < 3 3 0 104.49 112.75 4.16 o 4 3 0 108.22 99.77 4.30 o 5 3 0 30.44 30.00 4.10 o 6 3 0 139.21 134.17 4.04 o 7 3 0 265.16 263.24 4.29 o 8 3 0 9.54 16.81 4.43 o 9 3 0 308.19 300.54 4.91 o 10 3 0 118.22 118.42 5.27 o 11 3 0 1.21 -0.87 6.30 < 0 4 0 44.25 49.41 7.34 o 1 4 0 623.70 633.77 9.37 o 2 4 0 437.84 425.37 6.12 o 3 4 0 432.78 428.31 6.00 o 4 4 0 371.42 370.76 4.63 o 5 4 0 213.60 210.41 4.31 o 6 4 0 158.37 158.31 4.46 o 7 4 0 274.48 263.18 4.41 o 8 4 0 63.66 64.12 5.17 o 9 4 0 27.14 26.79 4.85 o 10 4 0 29.23 36.32 5.34 o 1 5 0 318.70 328.52 5.96 o 2 5 0 113.29 94.30 5.52 o 3 5 0 226.51 219.15 5.73 o 4 5 0 9.60 17.86 4.02 o 5 5 0 235.76 220.81 4.61 o 6 5 0 12.97 17.27 4.71 o 7 5 0 131.44 129.61 5.00 o 8 5 0 0.05 1.14 5.14 < 9 5 0 44.12 43.95 5.16 o 10 5 0 0.31 6.12 5.75 < 0 6 0 8.52 15.04 7.74 < 1 6 0 55.82 56.82 5.92 o 2 6 0 665.04 633.38 10.32 o 3 6 0 47.51 53.36 5.68 o 4 6 0 16.72 23.30 4.61 o 5 6 0 139.00 131.58 4.75 o 6 6 0 0.98 -0.75 4.84 < 7 6 0 18.94 25.88 5.20 o 8 6 0 1.00 -0.22 5.08 < 9 6 0 0.92 5.22 6.20 < 1 7 0 83.22 84.39 6.57 o 2 7 0 150.35 155.86 6.15 o 3 7 0 443.18 428.59 10.34 o 4 7 0 279.61 255.06 5.32 o 5 7 0 87.43 88.71 5.29 o 6 7 0 20.98 25.43 5.55 o 7 7 0 91.58 94.93 5.80 o 8 7 0 9.48 3.58 6.52 < 0 8 0 3.20 6.54 8.94 < 1 8 0 9.55 12.50 6.69 < 2 8 0 17.08 19.87 6.48 o 3 8 0 304.20 292.91 7.43 o 4 8 0 95.28 105.10 6.89 o 5 8 0 6.07 8.92 5.53 < 6 8 0 44.28 47.71 6.23 o 7 8 0 7.12 8.15 6.71 < 1 9 0 0.27 -2.99 7.58 < 2 9 0 135.72 132.29 7.90 o 3 9 0 0.32 3.94 8.37 < 4 9 0 48.92 64.72 6.64 o 5 9 0 275.31 297.08 7.30 o 0 10 0 91.11 89.20 11.86 o 1 10 0 58.17 66.28 8.34 o 2 0 1 2369.28 2326.81 17.89 o 2 0 -1 2369.82 2450.69 12.36 o 4 0 1 2127.12 2158.09 12.17 o 4 0 -1 2128.74 2189.85 8.58 o 6 0 1 261.87 265.00 5.30 o 6 0 -1 261.83 264.98 4.96 o 8 0 1 241.76 233.06 7.54 o 8 0 -1 241.98 241.12 5.26 o 10 0 1 38.72 42.25 8.51 o 10 0 -1 38.52 46.58 5.89 o 0 1 -1 38.21 34.41 7.58 o 1 1 1 1161.87 1128.85 11.36 o 1 1 -1 1161.80 1144.16 9.58 o 2 1 1 1597.31 1606.11 8.62 o 2 1 -1 1597.75 1594.99 8.75 o 3 1 1 1155.69 1184.34 6.25 o 3 1 -1 1156.95 1198.79 5.23 o 4 1 1 498.63 499.32 4.62 o 4 1 -1 499.70 508.45 4.03 o 5 1 1 174.83 174.10 3.91 o 5 1 -1 174.67 168.56 3.48 o 6 1 1 86.03 82.01 3.99 o 6 1 -1 86.17 91.63 3.56 o 7 1 1 69.75 74.71 4.28 o 7 1 -1 69.40 71.69 3.36 o 8 1 1 77.48 78.94 4.58 o 8 1 -1 77.09 79.16 3.99 o 9 1 1 65.98 70.94 4.69 o 9 1 -1 65.86 59.58 3.85 o 10 1 1 239.85 245.13 6.76 o 10 1 -1 239.70 236.72 4.58 o 11 1 1 1.44 3.66 7.24 < 11 1 -1 1.49 2.18 5.45 < 1 2 1 659.23 663.10 8.03 o 1 2 -1 658.65 632.20 9.40 o 2 2 1 1736.14 1721.73 8.41 o 2 2 -1 1735.04 1624.82 9.91 o 3 2 1 148.70 155.77 4.30 o 3 2 -1 148.68 157.50 4.44 o 4 2 1 258.95 270.24 4.10 o 4 2 -1 259.20 269.35 3.70 o 5 2 1 21.94 28.69 3.90 o 5 2 -1 21.98 28.38 3.39 o 6 2 1 204.02 209.41 4.41 o 6 2 -1 204.33 203.65 3.97 o 7 2 1 259.97 251.62 4.39 o 7 2 -1 260.04 260.05 3.64 o 8 2 1 80.12 83.74 4.22 o 8 2 -1 79.69 85.16 3.95 o 9 2 1 0.75 4.82 4.94 < 9 2 -1 0.74 4.31 4.94 < 10 2 1 32.58 41.49 5.52 o 10 2 -1 32.58 28.03 5.75 o 11 2 1 35.07 33.53 6.92 o 11 2 -1 35.09 40.35 6.19 o 0 3 1 1619.36 1659.01 20.15 o 0 3 -1 1616.62 1627.86 11.52 o 1 3 1 158.60 181.49 6.22 o 1 3 -1 158.50 178.80 6.24 o 2 3 1 265.35 289.88 4.93 o 2 3 -1 265.22 279.07 5.81 o 3 3 1 448.60 454.21 4.98 o 3 3 -1 448.92 442.55 5.76 o 4 3 1 70.86 77.94 4.17 o 4 3 -1 70.85 80.32 5.00 o 5 3 1 343.17 330.46 4.64 o 5 3 -1 343.05 327.04 4.22 o 6 3 1 209.17 212.57 4.68 o 6 3 -1 208.85 203.41 4.11 o 7 3 1 244.60 242.70 4.31 o 7 3 -1 244.73 241.49 4.29 o 8 3 1 308.56 316.01 4.61 o 8 3 -1 308.98 311.56 4.63 o 9 3 1 115.62 122.17 4.98 o 9 3 -1 115.60 110.76 4.78 o 10 3 1 6.65 6.93 5.43 < 10 3 -1 6.62 13.64 5.39 < 1 4 1 531.79 535.80 11.27 o 1 4 -1 531.49 533.58 8.63 o 2 4 1 668.74 661.41 5.70 o 2 4 -1 667.87 654.75 7.25 o 3 4 1 32.09 29.32 4.34 o 3 4 -1 31.90 34.92 5.42 o 4 4 1 20.68 20.69 4.18 o 4 4 -1 20.74 12.29 5.38 < 5 4 1 317.79 317.41 4.75 o 5 4 -1 318.25 318.16 4.49 o 6 4 1 21.09 17.39 4.43 o 6 4 -1 21.09 22.87 4.22 o 7 4 1 71.33 71.96 4.70 o 7 4 -1 71.53 74.24 4.26 o 8 4 1 91.81 91.60 4.84 o 8 4 -1 91.64 83.83 4.56 o 9 4 1 112.43 107.00 5.49 o 9 4 -1 112.43 104.34 5.25 o 10 4 1 59.62 59.26 5.52 o 10 4 -1 59.51 61.59 5.48 o 0 5 1 56.72 62.63 10.17 o 0 5 -1 56.45 58.54 6.71 o 1 5 1 89.37 94.04 6.52 o 1 5 -1 89.33 87.75 5.10 o 2 5 1 14.70 17.67 5.63 o 2 5 -1 14.77 10.89 5.69 < 3 5 1 79.51 73.10 4.68 o 3 5 -1 79.71 73.57 5.81 o 4 5 1 87.50 97.99 4.60 o 4 5 -1 87.39 79.72 5.31 o 5 5 1 420.01 413.25 5.14 o 5 5 -1 419.77 390.28 4.90 o 6 5 1 23.19 24.96 4.61 o 6 5 -1 22.97 23.42 4.79 o 7 5 1 155.12 153.71 5.26 o 7 5 -1 155.03 143.84 5.18 o 8 5 1 27.12 32.62 5.28 o 8 5 -1 27.21 28.60 4.79 o 9 5 1 14.62 15.85 5.79 < 9 5 -1 14.61 9.71 5.51 < 1 6 1 311.14 317.72 7.57 o 1 6 -1 311.11 321.67 6.04 o 2 6 1 184.33 183.27 6.96 o 2 6 -1 184.93 181.93 5.51 o 3 6 1 95.53 98.98 4.90 o 3 6 -1 95.49 90.33 5.81 o 4 6 1 68.36 60.95 5.13 o 4 6 -1 68.10 65.84 6.22 o 5 6 1 76.83 76.56 5.15 o 5 6 -1 76.41 71.73 5.66 o 6 6 1 8.01 5.79 4.90 < 6 6 -1 8.03 7.23 4.90 < 7 6 1 7.71 8.09 5.24 < 7 6 -1 7.73 10.02 5.28 < 8 6 1 2.17 2.38 5.77 < 8 6 -1 2.24 4.78 5.43 < 9 6 1 110.12 111.20 6.44 o 9 6 -1 110.14 114.08 6.10 o 0 7 1 550.26 556.42 11.89 o 0 7 -1 551.10 532.47 9.29 o 1 7 1 357.00 343.01 7.97 o 1 7 -1 357.36 350.47 6.32 o 2 7 1 90.02 91.73 7.15 o 2 7 -1 90.31 86.24 5.67 o 3 7 1 262.14 261.77 5.97 o 3 7 -1 261.81 273.79 9.01 o 4 7 1 0.13 4.55 5.24 < 4 7 -1 0.13 7.28 6.26 < 5 7 1 39.01 33.19 5.54 o 5 7 -1 39.00 31.71 6.52 o 6 7 1 22.47 28.70 5.42 o 6 7 -1 22.66 21.53 5.14 o 7 7 1 72.16 85.26 5.90 o 7 7 -1 71.93 85.22 5.64 o 8 7 1 45.09 52.81 6.35 o 8 7 -1 44.78 57.48 6.35 o 1 8 1 62.57 71.19 8.09 o 1 8 -1 62.85 60.21 6.55 o 2 8 1 154.92 166.22 8.34 o 2 8 -1 155.53 159.68 6.27 o 3 8 1 35.55 34.30 6.17 o 3 8 -1 35.52 40.49 6.66 o 4 8 1 107.25 109.95 6.28 o 4 8 -1 107.18 116.09 6.18 o 5 8 1 83.13 81.30 6.02 o 5 8 -1 82.91 75.22 6.00 o 6 8 1 23.60 24.28 6.34 o 6 8 -1 23.49 25.41 6.28 o 7 8 1 2.97 3.11 11.85 < 7 8 -1 3.04 1.02 10.30 < 0 9 1 35.18 47.19 12.77 o 0 9 -1 35.49 48.19 10.25 o 1 9 1 4.09 8.56 9.04 < 1 9 -1 4.13 7.76 7.26 < 2 9 1 4.37 5.28 7.40 < 2 9 -1 4.36 14.21 7.38 < 3 9 1 46.89 48.66 7.27 o 3 9 -1 46.68 51.99 7.63 o 4 9 1 187.54 200.23 7.71 o 4 9 -1 187.63 209.74 7.68 o 5 9 1 12.35 19.81 9.29 < 5 9 -1 12.39 11.64 6.16 < 1 10 -1 1.56 -0.31 8.41 < 0 0 -2 329.65 343.73 9.32 o 2 0 2 677.39 679.72 9.85 o 2 0 -2 678.54 670.88 9.81 o 4 0 2 18.85 15.63 7.29 < 4 0 -2 18.75 17.71 4.63 o 6 0 2 107.15 108.06 6.96 o 6 0 -2 107.68 98.21 4.86 o 8 0 2 626.06 641.97 9.42 o 8 0 -2 624.57 613.93 5.99 o 10 0 2 5.37 16.54 9.00 < 10 0 -2 5.20 -1.34 6.20 < 1 1 2 787.01 840.44 7.92 o 1 1 -2 787.01 779.39 8.17 o 2 1 2 713.15 761.20 7.18 o 2 1 -2 713.96 746.63 5.85 o 3 1 2 411.81 419.45 5.74 o 3 1 -2 412.44 425.23 4.73 o 4 1 2 369.94 381.59 5.67 o 4 1 -2 370.18 381.78 4.04 o 5 1 2 250.73 249.28 5.72 o 5 1 -2 251.28 253.63 3.84 o 6 1 2 64.54 64.34 5.21 o 6 1 -2 64.50 62.92 3.36 o 7 1 2 50.77 49.48 5.30 o 7 1 -2 50.85 49.14 3.45 o 8 1 2 6.84 2.62 5.20 < 8 1 -2 6.92 11.91 3.94 o 9 1 2 19.19 20.72 6.13 o 9 1 -2 19.19 16.19 3.96 o 10 1 2 11.64 18.33 6.79 < 10 1 -2 11.56 12.31 4.94 < 11 1 2 25.26 19.30 7.09 < 11 1 -2 25.26 31.99 5.71 o 0 2 -2 693.39 769.41 8.66 o 1 2 2 801.94 856.96 9.86 o 1 2 -2 801.52 827.88 8.49 o 2 2 2 235.84 244.42 6.12 o 2 2 -2 236.08 242.14 5.20 o 3 2 2 337.43 352.32 6.00 o 3 2 -2 337.16 343.82 5.02 o 4 2 2 679.91 696.92 6.54 o 4 2 -2 679.80 686.18 5.32 o 5 2 2 169.86 161.83 5.36 o 5 2 -2 169.67 162.45 3.69 o 6 2 2 443.93 437.22 5.47 o 6 2 -2 444.12 438.36 3.93 o 7 2 2 43.64 52.48 5.34 o 7 2 -2 43.42 44.67 3.77 o 8 2 2 26.27 31.46 5.26 o 8 2 -2 26.22 27.82 3.70 o 9 2 2 25.80 34.94 6.34 o 9 2 -2 25.80 29.51 4.39 o 10 2 2 32.45 25.12 6.99 o 10 2 -2 32.19 37.12 4.51 o 1 3 -2 501.58 514.55 7.67 o 2 3 2 198.65 207.81 6.61 o 2 3 -2 198.54 208.09 6.61 o 3 3 2 405.05 424.46 5.41 o 3 3 -2 405.17 405.29 6.15 o 4 3 2 225.76 229.19 4.69 o 4 3 -2 225.90 224.50 5.77 o 5 3 2 320.14 337.33 4.69 o 5 3 -2 320.62 317.21 4.05 o 6 3 2 113.58 119.81 4.27 o 6 3 -2 113.64 112.14 3.76 o 7 3 2 14.57 14.14 4.57 o 7 3 -2 14.53 13.12 4.37 < 8 3 2 277.74 278.43 4.98 o 8 3 -2 277.32 259.51 5.20 o 9 3 2 11.17 16.07 6.44 < 9 3 -2 11.29 11.72 5.12 < 10 3 2 62.63 70.92 7.24 o 10 3 -2 62.70 66.09 6.27 o 0 4 -2 151.63 134.09 6.84 o 1 4 -2 245.65 253.99 5.32 o 2 4 2 16.72 17.24 5.75 < 2 4 -2 16.68 22.44 6.56 o 3 4 2 392.93 389.10 5.63 o 3 4 -2 393.08 389.14 6.61 o 4 4 2 507.42 484.98 5.45 o 4 4 -2 507.04 471.47 6.31 o 5 4 2 57.80 59.83 4.77 o 5 4 -2 57.78 46.63 5.66 o 6 4 2 444.33 442.94 5.08 o 6 4 -2 444.18 421.00 4.82 o 7 4 2 102.22 108.75 4.94 o 7 4 -2 102.45 103.69 4.44 o 8 4 2 10.99 17.78 5.18 o 8 4 -2 10.98 11.54 4.94 < 9 4 2 52.23 51.55 5.48 o 9 4 -2 52.49 55.63 5.44 o 10 4 2 21.64 17.55 7.58 < 10 4 -2 21.39 20.34 6.05 o 1 5 2 438.20 469.35 20.58 o 1 5 -2 437.79 420.98 5.41 o 2 5 2 244.10 252.94 9.15 o 2 5 -2 243.82 226.29 7.30 o 3 5 2 23.05 25.14 5.24 o 3 5 -2 22.99 24.84 6.25 o 4 5 2 110.33 120.79 5.14 o 4 5 -2 109.98 107.91 5.87 o 5 5 2 114.51 115.84 5.28 o 5 5 -2 114.78 117.08 5.99 o 6 5 2 4.45 4.51 4.78 < 6 5 -2 4.44 7.17 4.76 < 7 5 2 36.74 30.27 5.56 o 7 5 -2 36.73 32.14 4.85 o 8 5 2 70.05 71.61 5.58 o 8 5 -2 70.07 62.66 5.32 o 9 5 2 25.69 30.37 6.36 o 9 5 -2 25.71 28.09 5.79 o 0 6 -2 351.53 346.64 7.60 o 1 6 2 258.11 255.60 10.09 o 1 6 -2 258.50 246.87 5.25 o 2 6 2 164.07 167.65 7.66 o 2 6 -2 163.90 159.23 5.21 o 3 6 2 41.47 50.36 8.08 o 3 6 -2 41.24 45.93 6.25 o 4 6 2 39.87 33.51 5.54 o 4 6 -2 40.16 32.84 6.70 o 5 6 2 132.32 132.38 5.79 o 5 6 -2 132.44 126.63 6.64 o 6 6 2 0.85 1.65 5.57 < 6 6 -2 0.89 2.60 4.86 < 7 6 2 88.21 85.75 5.86 o 7 6 -2 88.14 91.89 5.33 o 8 6 2 22.55 25.53 6.28 o 8 6 -2 22.65 26.81 5.73 o 1 7 2 134.94 134.02 9.71 o 1 7 -2 135.11 130.64 5.81 o 2 7 2 23.77 24.17 8.00 o 2 7 -2 23.87 23.26 5.28 o 3 7 2 12.25 16.72 7.19 < 3 7 -2 12.25 14.43 5.47 < 4 7 2 8.05 10.14 8.03 < 4 7 -2 8.02 13.05 6.87 < 5 7 2 90.23 95.45 6.18 o 5 7 -2 89.57 96.24 6.91 o 6 7 2 1.04 3.25 6.44 < 6 7 -2 1.06 0.04 5.61 < 7 7 2 35.59 35.56 6.66 o 7 7 -2 35.53 30.18 6.09 o 0 8 -2 335.95 320.55 8.81 o 1 8 2 13.87 14.91 10.97 < 1 8 -2 13.92 25.60 5.71 o 2 8 2 11.41 11.56 9.27 < 2 8 -2 11.57 12.37 6.28 < 3 8 2 64.21 67.87 8.74 o 3 8 -2 64.17 70.24 6.57 o 4 8 2 77.45 77.66 8.01 o 4 8 -2 77.83 72.95 7.26 o 5 8 2 112.82 113.05 10.01 o 5 8 -2 112.92 100.04 9.40 o 6 8 2 15.08 20.38 7.19 < 6 8 -2 14.94 20.30 6.83 < 1 9 -2 36.99 38.05 7.07 o 2 9 2 52.62 60.34 12.87 o 2 9 -2 52.71 59.92 7.21 o 3 9 2 57.59 62.08 10.78 o 3 9 -2 57.18 68.11 8.00 o 4 9 2 30.09 31.93 10.07 o 4 9 -2 29.99 35.81 7.68 o 2 0 3 237.42 251.89 8.20 o 2 0 -3 237.23 228.77 8.14 o 4 0 3 35.93 31.07 7.77 o 4 0 -3 35.92 35.09 4.99 o 6 0 3 293.24 307.52 8.54 o 6 0 -3 292.79 271.61 5.97 o 8 0 3 54.78 44.87 7.85 o 8 0 -3 54.52 56.88 5.50 o 10 0 3 123.22 132.79 9.70 o 10 0 -3 123.58 117.78 7.80 o 0 1 -3 114.68 110.98 6.02 o 1 1 -3 564.01 557.68 6.81 o 2 1 3 198.43 213.17 5.73 o 2 1 -3 198.08 194.05 5.97 o 3 1 3 446.32 452.65 6.54 o 3 1 -3 446.05 439.64 4.99 o 4 1 3 342.48 352.70 5.98 o 4 1 -3 342.82 335.07 4.80 o 5 1 3 166.92 162.26 5.87 o 5 1 -3 166.92 170.16 4.04 o 6 1 3 123.73 116.42 5.48 o 6 1 -3 123.14 115.94 3.84 o 7 1 3 136.91 135.40 5.79 o 7 1 -3 136.84 135.14 3.78 o 8 1 3 24.80 25.75 5.61 o 8 1 -3 24.88 29.23 4.24 o 9 1 3 78.01 83.94 6.19 o 9 1 -3 78.26 85.18 4.32 o 10 1 3 6.89 10.49 7.32 < 10 1 -3 6.95 13.23 4.74 < 1 2 -3 188.53 201.93 4.45 o 2 2 3 55.32 62.45 6.06 o 2 2 -3 55.67 56.22 4.95 o 3 2 3 240.53 247.43 6.47 o 3 2 -3 240.39 243.35 5.04 o 4 2 3 407.65 404.87 6.17 o 4 2 -3 406.94 399.63 5.31 o 5 2 3 280.58 278.92 5.97 o 5 2 -3 281.02 280.72 4.70 o 6 2 3 110.60 114.65 5.59 o 6 2 -3 110.60 109.15 3.73 o 7 2 3 6.74 7.99 6.08 < 7 2 -3 6.70 6.36 4.27 < 8 2 3 39.11 41.86 6.19 o 8 2 -3 38.96 38.41 4.30 o 9 2 3 27.83 22.44 6.28 o 9 2 -3 27.69 26.04 4.53 o 10 2 3 56.26 47.63 6.96 o 10 2 -3 56.42 49.50 4.91 o 0 3 -3 833.45 814.56 8.30 o 1 3 -3 243.64 252.51 5.34 o 2 3 3 40.27 40.72 6.98 o 2 3 -3 40.25 34.96 6.17 o 3 3 3 15.62 12.33 5.77 < 3 3 -3 15.58 17.94 5.04 o 4 3 3 235.67 231.62 6.02 o 4 3 -3 235.73 233.31 5.01 o 5 3 3 21.37 27.95 5.77 o 5 3 -3 21.35 25.16 4.81 o 6 3 3 367.41 368.03 6.48 o 6 3 -3 367.69 362.79 4.26 o 7 3 3 49.57 52.69 5.97 o 7 3 -3 49.60 49.89 4.16 o 8 3 3 14.24 18.04 6.89 < 8 3 -3 14.10 18.39 4.45 o 9 3 3 57.86 58.59 7.57 o 9 3 -3 57.96 57.07 5.28 o 1 4 -3 67.14 72.66 4.76 o 2 4 -3 363.64 356.90 7.43 o 3 4 3 385.36 387.55 7.79 o 3 4 -3 385.32 363.08 7.63 o 4 4 3 104.70 105.47 6.62 o 4 4 -3 104.93 111.10 6.24 o 5 4 3 6.56 10.99 5.93 < 5 4 -3 6.63 15.79 6.24 < 6 4 3 127.45 129.56 6.80 o 6 4 -3 127.44 126.58 4.90 o 7 4 3 9.50 13.31 6.18 < 7 4 -3 9.65 17.44 5.30 o 8 4 3 140.10 161.65 7.35 o 8 4 -3 140.41 145.97 5.67 o 9 4 3 77.60 79.86 7.44 o 9 4 -3 77.46 83.45 6.15 o 0 5 -3 277.44 268.21 7.44 o 1 5 -3 157.79 153.65 5.48 o 2 5 -3 213.11 208.44 5.51 o 3 5 3 748.52 720.96 20.58 o 3 5 -3 748.26 678.52 9.82 o 4 5 3 43.84 38.52 7.14 o 4 5 -3 43.95 44.16 7.06 o 5 5 3 5.90 14.02 6.65 < 5 5 -3 5.89 11.81 6.60 < 6 5 3 87.37 85.55 7.12 o 6 5 -3 87.34 86.65 6.65 o 7 5 3 4.47 10.30 7.09 < 7 5 -3 4.52 3.13 5.20 < 8 5 3 52.36 57.56 7.23 o 8 5 -3 52.32 60.06 6.48 o 1 6 -3 9.16 17.60 5.61 o 2 6 -3 79.93 80.22 5.37 o 3 6 -3 76.62 77.80 5.41 o 4 6 3 66.18 64.53 15.38 o 4 6 -3 66.18 54.04 7.83 o 5 6 3 46.43 41.94 8.02 o 5 6 -3 46.34 42.75 7.51 o 6 6 3 0.70 -2.93 7.64 < 6 6 -3 0.72 1.18 7.54 < 7 6 3 116.88 118.02 8.73 o 7 6 -3 116.81 121.31 6.08 o 0 7 -3 26.23 26.91 7.78 o 1 7 -3 12.38 18.10 6.01 o 2 7 -3 18.53 21.49 5.59 o 3 7 -3 17.64 28.48 6.16 o 4 7 -3 18.41 16.07 6.09 < 5 7 3 61.70 58.42 17.02 o 5 7 -3 61.71 60.29 8.68 o 6 7 3 63.90 66.54 8.95 o 6 7 -3 64.13 59.53 8.85 o 1 8 -3 25.39 33.07 6.24 o 2 8 -3 109.40 124.99 6.83 o 3 8 -3 0.78 7.85 6.44 < 4 8 -3 24.63 25.72 7.27 o 5 8 -3 2.45 5.91 7.11 < 0 9 -3 81.94 90.30 10.10 o 1 9 -3 167.79 173.42 7.18 o 2 9 -3 79.39 78.46 10.39 o 0 0 -4 303.62 295.21 8.48 o 2 0 -4 413.46 402.45 8.81 o 4 0 4 180.16 186.90 8.28 o 4 0 -4 179.11 170.19 5.45 o 6 0 4 95.01 83.14 7.76 o 6 0 -4 95.36 96.62 6.08 o 8 0 4 169.75 178.01 10.44 o 8 0 -4 170.48 164.51 6.33 o 1 1 -4 255.56 256.65 4.46 o 2 1 -4 35.21 35.46 5.87 o 3 1 4 143.74 142.58 6.14 o 3 1 -4 143.80 135.38 4.65 o 4 1 4 280.00 288.52 5.89 o 4 1 -4 279.29 270.98 4.91 o 5 1 4 115.60 125.94 5.63 o 5 1 -4 115.20 108.84 3.95 o 6 1 4 21.82 23.32 5.81 o 6 1 -4 21.89 22.06 4.18 o 7 1 4 9.58 9.43 6.18 < 7 1 -4 9.64 12.68 4.41 < 8 1 4 38.25 32.12 7.21 o 8 1 -4 38.06 43.35 4.69 o 9 1 4 9.52 12.54 6.85 < 9 1 -4 9.57 9.75 5.12 < 0 2 -4 313.98 306.60 6.80 o 1 2 -4 76.38 74.62 4.42 o 2 2 -4 78.48 70.02 5.23 o 3 2 4 161.25 171.62 6.36 o 3 2 -4 161.52 157.44 5.19 o 4 2 4 366.69 366.23 6.44 o 4 2 -4 366.41 359.64 5.38 o 5 2 4 197.69 198.68 6.28 o 5 2 -4 197.69 190.69 5.43 o 6 2 4 5.61 -0.14 6.22 < 6 2 -4 5.57 7.64 4.08 < 7 2 4 52.40 52.48 6.78 o 7 2 -4 52.27 50.43 4.40 o 8 2 4 48.59 58.26 6.94 o 8 2 -4 48.86 52.25 4.59 o 9 2 4 23.21 26.77 8.09 o 9 2 -4 23.02 27.89 5.26 o 1 3 -4 96.80 91.24 4.88 o 2 3 -4 329.78 321.65 5.44 o 3 3 4 85.14 92.73 11.85 o 3 3 -4 85.46 84.86 5.96 o 4 3 4 24.64 22.67 6.32 o 4 3 -4 24.77 25.31 5.40 o 5 3 4 228.15 220.62 6.92 o 5 3 -4 227.61 209.14 5.71 o 6 3 4 4.41 2.78 6.56 < 6 3 -4 4.38 6.63 4.39 < 7 3 4 126.61 136.93 6.72 o 7 3 -4 126.33 130.93 4.82 o 8 3 4 39.61 43.92 7.13 o 8 3 -4 39.79 39.03 5.30 o 9 3 -4 10.80 15.95 7.70 < 0 4 -4 147.38 132.23 7.28 o 1 4 -4 210.27 208.52 5.61 o 2 4 -4 20.88 17.55 5.02 o 3 4 -4 36.91 42.29 8.77 o 4 4 4 15.97 22.02 7.66 < 4 4 -4 15.98 16.68 7.29 < 5 4 4 142.67 141.30 7.14 o 5 4 -4 142.80 142.09 7.04 o 6 4 4 228.38 251.00 7.29 o 6 4 -4 228.64 235.25 7.51 o 7 4 4 32.95 32.09 7.41 o 7 4 -4 32.78 30.20 6.17 o 8 4 4 31.28 29.00 8.04 o 8 4 -4 31.19 24.47 6.19 o 1 5 -4 193.58 191.79 5.47 o 2 5 -4 10.27 11.18 5.24 < 3 5 -4 66.23 68.95 5.50 o 4 5 -4 27.26 20.61 9.75 < 5 5 4 3.69 8.82 8.45 < 5 5 -4 3.64 5.53 8.01 < 6 5 4 30.02 31.76 7.88 o 6 5 -4 30.08 41.53 8.20 o 7 5 4 65.65 73.29 8.56 o 7 5 -4 65.66 69.62 6.13 o 0 6 -4 541.02 539.75 8.80 o 1 6 -4 68.51 69.96 5.62 o 2 6 -4 19.02 17.73 5.67 o 3 6 -4 11.74 15.75 5.81 < 4 6 -4 12.73 11.91 6.56 < 5 6 -4 6.84 14.45 10.85 < 6 6 4 21.65 30.05 9.85 o 6 6 -4 21.83 16.17 9.30 < 1 7 -4 186.20 180.80 6.87 o 2 7 -4 78.84 92.36 7.26 o 3 7 -4 6.79 2.97 6.40 < 4 7 -4 19.41 19.08 6.70 < 5 7 -4 67.34 62.86 7.12 o 0 8 -4 121.86 139.06 9.89 o 1 8 -4 23.41 27.22 6.91 o 2 8 -4 34.42 38.50 7.58 o 2 0 -5 1090.62 1096.26 8.10 o 4 0 5 6.64 10.24 8.84 < 4 0 -5 6.76 8.52 6.10 < 6 0 5 96.14 106.72 10.05 o 6 0 -5 96.18 97.48 6.93 o 8 0 5 4.80 12.64 10.04 < 8 0 -5 4.80 3.66 6.97 < 0 1 -5 527.39 523.44 7.15 o 1 1 -5 122.25 115.47 4.41 o 2 1 -5 21.96 23.76 4.24 o 3 1 -5 27.81 30.50 4.89 o 4 1 5 31.36 29.71 6.34 o 4 1 -5 31.29 34.20 5.08 o 5 1 5 96.83 106.48 7.17 o 5 1 -5 96.71 96.29 4.95 o 6 1 5 23.96 15.99 7.01 < 6 1 -5 23.87 27.81 4.57 o 7 1 5 70.75 75.81 7.65 o 7 1 -5 70.97 68.04 5.29 o 8 1 5 48.79 58.93 7.82 o 8 1 -5 49.09 53.82 5.44 o 1 2 -5 48.91 54.71 4.89 o 2 2 -5 80.99 85.18 4.56 o 3 2 -5 117.15 112.65 5.24 o 4 2 -5 2.39 5.93 5.61 < 5 2 5 4.52 0.08 7.15 < 5 2 -5 4.48 8.60 5.89 < 6 2 5 10.82 16.52 7.60 < 6 2 -5 10.71 10.83 5.12 < 7 2 5 20.93 25.76 7.80 o 7 2 -5 21.15 24.26 5.69 o 0 3 -5 25.52 32.54 7.49 o 1 3 -5 110.70 102.75 7.88 o 2 3 -5 68.60 65.02 5.72 o 3 3 -5 108.85 109.09 5.29 o 4 3 -5 26.26 23.48 6.24 o 5 3 5 6.29 10.08 7.46 < 5 3 -5 6.33 4.13 6.52 < 6 3 5 33.92 31.37 8.00 o 6 3 -5 33.90 36.33 5.67 o 7 3 5 51.36 43.68 8.57 o 7 3 -5 51.38 42.61 5.95 o 1 4 -5 126.57 119.10 6.13 o 2 4 -5 37.25 45.18 5.69 o 3 4 -5 4.66 0.04 5.81 < 4 4 -5 70.63 65.83 9.35 o 5 4 -5 94.15 93.03 8.72 o 6 4 5 5.01 4.94 8.88 < 6 4 -5 4.97 11.77 8.66 < 0 5 -5 29.83 46.26 8.31 o 1 5 -5 15.48 19.81 6.40 o 2 5 -5 3.66 8.50 5.93 < 3 5 -5 90.78 97.95 6.22 o 4 5 -5 19.92 27.85 6.83 o 5 5 -5 196.25 208.23 11.24 o 1 6 -5 28.15 26.42 6.87 o 2 6 -5 5.38 11.34 6.46 < 3 6 -5 18.33 27.22 6.70 o 4 6 -5 157.82 171.48 7.14 o 0 7 -5 88.86 84.50 10.02 o 1 7 -5 48.35 56.94 7.04 o 0 0 -6 679.00 684.85 11.18 o 2 0 -6 384.03 373.71 7.48 o 4 0 -6 6.22 11.24 6.12 < 6 0 6 119.60 121.91 11.85 o 6 0 -6 120.47 116.66 8.27 o 1 1 -6 83.56 80.98 5.19 o 2 1 -6 57.66 57.65 5.22 o 3 1 -6 34.61 34.46 4.81 o 4 1 -6 83.68 81.99 5.05 o 5 1 -6 19.82 17.53 5.53 o 6 1 -6 94.77 92.82 5.88 o 0 2 -6 31.13 29.57 8.12 o 1 2 -6 0.57 2.15 5.57 < 2 2 -6 50.40 46.48 5.30 o 3 2 -6 51.54 49.93 5.28 o 4 2 -6 76.32 76.79 5.19 o 5 2 -6 70.97 63.93 7.02 o 1 3 -6 0.33 6.08 6.20 < 2 3 -6 15.26 16.80 7.74 < 3 3 -6 9.47 10.89 6.46 < 4 3 -6 14.06 14.49 6.06 < 5 3 -6 58.10 56.97 6.35 o 0 4 -6 155.16 153.62 9.33 o 1 4 -6 7.84 8.78 7.03 < 2 4 -6 8.91 12.74 7.17 < 3 4 -6 108.81 135.22 7.94 o 4 4 -6 100.45 107.87 7.22 o 1 5 -6 15.86 18.98 7.50 < 2 5 -6 0.20 -1.46 7.70 < 2 0 -7 23.70 21.90 8.35 < 0 1 -7 90.44 85.31 9.37 o 1 1 -7 54.56 52.75 6.43 o