#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000116.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_3000116 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 8.4524(12) _cell_length_b 7.3868(18) _cell_length_c 5.202(2) _cell_measurement_temperature 148 _cell_volume 324.79(15) _diffrn_ambient_temperature 148 _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 0.0457 _diffrn_reflns_av_unetI/netI 0.0394 _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 29.29 _diffrn_reflns_theta_max 29.29 _diffrn_reflns_theta_min 3.66 _exptl_absorpt_coefficient_mu 0.227 _exptl_crystal_density_diffrn 2.4412 _exptl_crystal_F_000 232 _refine_diff_density_max 0.20 _refine_diff_density_min -0.18 _refine_ls_abs_structure_details ' 266 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 2800(400) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.53 _refine_ls_goodness_of_fit_ref 1.40 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 751 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0292 _refine_ls_shift/su_max 0.0041 _refine_ls_shift/su_mean 0.0012 _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 0.0289 _refine_ls_wR_factor_ref 0.0298 _reflns_number_gt 608 _reflns_number_total 751 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_148K.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 324.78(17) _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000116 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 0.4145(4) 0.5674(6) -0.0068(10) Uani 0.0132(12) 4 1 d . . . B1 B 0.5093(3) 0.8358(4) 0.3540(6) Uani 0.0067(7) 4 1 d . . . B2 B 0.6947(3) 0.0572(4) 0.5499(6) Uani 0.0067(7) 4 1 d . . . B3 B 0.6569(2) 0.7507(3) 0.7331(6) Uani 0.0064(7) 4 1 d . . . O1 O 0.58588(15) 0.9965(2) 0.3469(3) Uani 0.0068(4) 4 1 d . . . O2 O 0.38360(16) 0.7944(2) 0.1968(3) Uani 0.0067(5) 4 1 d . . . O3 O 0.55836(15) 0.7013(2) 0.5276(3) Uani 0.0073(5) 4 1 d . . . O4 O 0.73999(17) 0.9099(2) 0.7321(3) Uani 0.0066(4) 4 1 d . . . O5 O 0.65974(17) 0.6261(2) 0.9273(3) Uani 0.0072(5) 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 0.0151(18) 0.010(2) 0.015(3) -0.0020(16) -0.0024(17) -0.001(2) B1 B 0.0082(10) 0.0051(14) 0.0067(13) 0.0032(9) 0.0037(11) -0.0017(12) B2 B 0.0086(12) 0.0059(13) 0.0055(14) -0.0015(9) 0.0002(11) 0.0011(12) B3 B 0.0038(9) 0.0053(12) 0.0100(15) 0.0025(7) 0.0012(10) -0.0044(14) O1 O 0.0082(6) 0.0056(8) 0.0065(8) -0.0005(6) -0.0028(7) 0.0007(8) O2 O 0.0071(7) 0.0050(8) 0.0081(9) 0.0003(6) -0.0009(7) 0.0014(9) O3 O 0.0071(7) 0.0069(8) 0.0078(9) 0.0006(7) -0.0010(7) 0.0007(8) O4 O 0.0083(7) 0.0053(8) 0.0062(8) -0.0005(6) -0.0007(7) 0.0030(9) O5 O 0.0068(7) 0.0071(8) 0.0076(8) -0.0005(6) -0.0011(6) 0.0010(8) 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_565 123.2(2) B1 O2 B2 . . 2_664 118.96(19) B1 O3 B3 . . . 118.74(19) B2 O4 B3 1_565 . . 119.77(18) B2 O5 B3 4_655 . . 124.46(17) 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 1.471(3) O2 B1 . . 1.375(3) O2 B2 . 2_664 1.491(3) O3 B1 . . 1.405(3) O3 B3 . . 1.404(3) O4 B2 . 1_565 1.493(3) O4 B3 . . 1.370(3) O5 B2 . 4_655 1.477(3) 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 1.34 2.10 5.06 < 4 0 0 436.07 454.65 5.37 o 6 0 0 157.37 140.89 4.99 o 8 0 0 0.09 -0.85 5.21 < 10 0 0 16.30 32.34 6.24 o 1 1 0 410.94 357.80 7.03 o 2 1 0 371.57 359.49 5.17 o 3 1 0 1.54 7.17 3.28 < 4 1 0 4.97 8.02 3.11 < 5 1 0 0.45 1.02 3.15 < 6 1 0 355.83 359.67 3.75 o 7 1 0 130.59 132.04 3.58 o 8 1 0 349.40 354.47 4.02 o 9 1 0 231.13 234.40 4.82 o 10 1 0 64.60 70.55 4.89 o 11 1 0 29.22 30.00 5.91 o 0 2 0 138.43 133.66 9.35 o 1 2 0 279.07 258.67 6.49 o 2 2 0 419.07 406.13 6.30 o 3 2 0 884.83 907.90 5.35 o 4 2 0 135.52 144.49 3.82 o 5 2 0 682.80 624.12 4.58 o 6 2 0 294.56 303.20 4.30 o 7 2 0 243.44 241.39 4.31 o 8 2 0 43.16 44.05 4.34 o 9 2 0 26.53 35.12 4.72 o 10 2 0 104.41 100.16 5.34 o 11 2 0 1.24 -1.50 6.03 < 1 3 0 401.67 427.70 5.78 o 2 3 0 4.36 7.39 5.14 < 3 3 0 106.72 109.45 3.95 o 4 3 0 102.46 102.84 4.12 o 5 3 0 31.23 33.92 3.88 o 6 3 0 140.75 128.26 4.31 o 7 3 0 274.99 278.66 4.49 o 8 3 0 9.16 13.44 4.51 < 9 3 0 328.29 323.51 5.25 o 10 3 0 127.11 130.18 5.68 o 11 3 0 0.56 -1.86 7.60 < 0 4 0 42.88 47.61 7.31 o 1 4 0 637.46 638.09 9.22 o 2 4 0 429.52 448.13 5.76 o 3 4 0 443.32 430.32 5.77 o 4 4 0 377.72 386.97 4.52 o 5 4 0 219.37 213.80 4.65 o 6 4 0 165.76 167.20 4.73 o 7 4 0 271.40 282.51 4.72 o 8 4 0 64.75 67.19 4.81 o 9 4 0 26.42 25.97 5.23 o 10 4 0 27.01 31.94 5.88 o 1 5 0 319.01 322.15 6.05 o 2 5 0 118.64 111.62 5.24 o 3 5 0 220.13 211.94 5.82 o 4 5 0 8.56 14.60 4.21 o 5 5 0 238.62 225.00 4.84 o 6 5 0 16.86 22.86 4.61 o 7 5 0 132.20 132.29 5.05 o 8 5 0 0.11 1.06 5.57 < 9 5 0 58.11 58.77 5.70 o 10 5 0 0.03 0.23 6.31 < 0 6 0 5.86 4.21 8.13 < 1 6 0 56.16 51.43 5.74 o 2 6 0 688.92 661.11 9.53 o 3 6 0 49.25 51.09 5.85 o 4 6 0 12.69 13.63 4.49 o 5 6 0 139.45 141.06 4.86 o 6 6 0 1.02 3.68 5.18 < 7 6 0 19.60 17.65 5.29 o 8 6 0 1.74 4.93 5.50 < 9 6 0 0.83 12.46 6.50 < 1 7 0 83.50 81.54 6.14 o 2 7 0 147.70 163.51 6.32 o 3 7 0 447.32 438.04 9.71 o 4 7 0 279.57 266.36 5.44 o 5 7 0 83.25 82.31 5.68 o 6 7 0 22.81 30.93 5.76 o 7 7 0 100.49 110.20 6.36 o 8 7 0 8.35 7.15 6.81 < 0 8 0 3.04 3.85 9.50 < 1 8 0 8.42 11.64 7.09 < 2 8 0 20.02 14.71 7.15 < 3 8 0 312.70 305.38 7.42 o 4 8 0 105.92 117.86 7.50 o 5 8 0 6.64 10.75 6.33 < 6 8 0 48.97 59.42 6.84 o 7 8 0 8.00 14.14 7.09 < 1 9 0 0.26 -1.57 7.62 < 2 9 0 147.55 149.91 8.37 o 3 9 0 0.65 0.36 8.06 < 4 9 0 53.50 67.25 6.99 o 5 9 0 288.61 319.42 7.39 o 0 10 0 86.49 105.85 14.32 o 1 10 0 63.24 67.03 10.10 o 2 0 1 2364.69 2357.64 15.50 o 2 0 -1 2365.22 2380.85 11.20 o 4 0 1 2140.56 2237.85 11.65 o 4 0 -1 2142.19 2203.60 8.24 o 6 0 1 277.10 273.04 5.19 o 6 0 -1 277.05 286.62 5.15 o 8 0 1 251.42 256.85 8.86 o 8 0 -1 251.66 248.33 5.61 o 10 0 1 43.32 52.07 9.04 o 10 0 -1 43.10 46.14 6.44 o 0 1 -1 37.82 34.37 7.41 o 1 1 1 1165.79 1149.18 10.41 o 1 1 -1 1165.72 1152.08 8.93 o 2 1 1 1597.89 1574.19 7.92 o 2 1 -1 1598.32 1542.23 7.56 o 3 1 1 1152.80 1200.40 5.97 o 3 1 -1 1154.07 1116.12 4.97 o 4 1 1 498.76 505.79 4.43 o 4 1 -1 499.86 507.61 4.00 o 5 1 1 174.57 172.57 4.17 o 5 1 -1 174.41 173.10 3.46 o 6 1 1 88.08 86.24 4.20 o 6 1 -1 88.22 89.68 3.46 o 7 1 1 70.74 74.03 4.13 o 7 1 -1 70.38 69.56 3.58 o 8 1 1 80.10 78.78 4.36 o 8 1 -1 79.70 86.68 3.81 o 9 1 1 68.31 70.96 4.77 o 9 1 -1 68.20 69.20 4.15 o 10 1 1 262.32 249.07 6.54 o 10 1 -1 262.14 259.99 4.76 o 11 1 1 1.90 -0.76 7.17 < 11 1 -1 1.96 6.84 5.99 < 1 2 1 661.52 667.02 7.68 o 1 2 -1 660.93 640.89 8.57 o 2 2 1 1756.06 1750.45 7.84 o 2 2 -1 1754.96 1693.33 9.29 o 3 2 1 151.25 162.87 3.96 o 3 2 -1 151.23 161.55 4.30 o 4 2 1 257.28 265.77 4.09 o 4 2 -1 257.52 270.50 3.67 o 5 2 1 21.58 27.95 3.85 o 5 2 -1 21.61 27.21 3.45 o 6 2 1 205.53 207.45 4.59 o 6 2 -1 205.86 201.04 3.78 o 7 2 1 263.34 257.48 4.44 o 7 2 -1 263.41 265.45 3.83 o 8 2 1 83.31 85.90 4.49 o 8 2 -1 82.85 80.73 3.90 o 9 2 1 0.30 -2.07 4.80 < 9 2 -1 0.30 0.78 4.80 < 10 2 1 33.21 44.67 5.38 o 10 2 -1 33.21 38.53 5.38 o 11 2 1 37.60 40.35 7.49 o 11 2 -1 37.62 41.54 6.20 o 0 3 1 1599.22 1637.42 18.96 o 0 3 -1 1596.49 1618.51 10.99 o 1 3 1 153.77 178.41 6.28 o 1 3 -1 153.67 164.75 6.00 o 2 3 1 261.98 283.52 4.97 o 2 3 -1 261.85 274.03 5.78 o 3 3 1 454.34 466.94 4.93 o 3 3 -1 454.67 448.07 5.79 o 4 3 1 72.17 73.60 4.28 o 4 3 -1 72.16 79.49 4.66 o 5 3 1 356.30 348.64 4.75 o 5 3 -1 356.19 349.00 4.33 o 6 3 1 213.48 207.74 4.50 o 6 3 -1 213.15 209.04 4.29 o 7 3 1 247.82 250.74 4.53 o 7 3 -1 247.93 245.43 4.50 o 8 3 1 319.49 309.99 4.89 o 8 3 -1 319.94 329.72 4.80 o 9 3 1 121.66 111.06 5.11 o 9 3 -1 121.64 118.08 5.13 o 10 3 1 6.43 19.77 5.61 o 10 3 -1 6.38 8.23 5.86 < 1 4 1 535.41 544.65 11.08 o 1 4 -1 535.10 524.66 7.90 o 2 4 1 669.21 669.67 5.68 o 2 4 -1 668.33 651.58 6.67 o 3 4 1 33.66 33.67 4.43 o 3 4 -1 33.46 34.86 5.04 o 4 4 1 21.09 20.03 4.36 o 4 4 -1 21.15 20.90 5.12 o 5 4 1 328.60 334.58 4.64 o 5 4 -1 329.10 334.58 4.60 o 6 4 1 23.21 25.47 4.66 o 6 4 -1 23.21 18.40 4.13 o 7 4 1 80.42 81.99 4.96 o 7 4 -1 80.64 78.43 4.51 o 8 4 1 95.82 94.38 4.89 o 8 4 -1 95.64 98.21 5.13 o 9 4 1 117.51 123.89 6.02 o 9 4 -1 117.50 110.67 5.38 o 10 4 1 65.35 64.93 6.08 o 10 4 -1 65.25 67.45 6.01 o 0 5 1 60.78 52.81 9.83 o 0 5 -1 60.50 72.07 6.78 o 1 5 1 90.37 94.86 6.42 o 1 5 -1 90.34 98.30 5.22 o 2 5 1 18.16 15.31 5.46 < 2 5 -1 18.24 15.67 5.48 < 3 5 1 80.81 78.21 4.49 o 3 5 -1 81.00 75.86 5.96 o 4 5 1 93.36 87.25 4.60 o 4 5 -1 93.23 94.69 5.43 o 5 5 1 415.85 295.60 5.03 o 5 5 -1 415.63 422.69 4.88 o 6 5 1 24.12 28.20 4.93 o 6 5 -1 23.90 22.40 4.68 o 7 5 1 161.69 154.53 5.13 o 7 5 -1 161.59 149.38 4.86 o 8 5 1 28.61 32.45 5.44 o 8 5 -1 28.70 29.93 5.17 o 9 5 1 15.95 12.26 6.35 < 9 5 -1 15.95 17.69 6.31 < 1 6 1 310.65 319.38 7.07 o 1 6 -1 310.61 314.99 6.17 o 2 6 1 186.72 185.30 6.54 o 2 6 -1 187.33 186.09 5.22 o 3 6 1 97.60 95.32 5.34 o 3 6 -1 97.55 87.77 5.60 o 4 6 1 75.17 70.93 5.06 o 4 6 -1 74.89 68.90 5.68 o 5 6 1 77.43 74.07 5.51 o 5 6 -1 77.00 80.27 5.93 o 6 6 1 7.02 9.80 5.27 < 6 6 -1 7.04 7.41 4.99 < 7 6 1 8.21 5.16 5.14 < 7 6 -1 8.23 10.24 5.12 < 8 6 1 1.39 4.63 5.93 < 8 6 -1 1.44 2.88 5.65 < 9 6 1 113.49 117.52 7.14 o 9 6 -1 113.53 87.28 6.38 o 0 7 1 560.30 574.70 12.10 o 0 7 -1 561.17 541.04 8.62 o 1 7 1 361.79 352.59 7.85 o 1 7 -1 362.14 354.99 6.60 o 2 7 1 90.68 86.42 7.10 o 2 7 -1 90.98 86.44 5.89 o 3 7 1 266.29 273.62 5.91 o 3 7 -1 265.95 262.81 9.41 o 4 7 1 0.17 1.54 5.46 < 4 7 -1 0.16 2.48 6.50 < 5 7 1 41.24 29.73 5.99 o 5 7 -1 41.24 36.21 6.48 o 6 7 1 25.29 24.17 6.08 o 6 7 -1 25.50 20.64 5.55 o 7 7 1 77.04 93.01 6.42 o 7 7 -1 76.80 87.67 6.08 o 8 7 1 49.44 54.82 7.33 o 8 7 -1 49.10 55.35 6.69 o 1 8 1 67.39 69.26 8.49 o 1 8 -1 67.68 73.58 6.88 o 2 8 1 154.35 165.30 8.38 o 2 8 -1 154.97 165.36 6.62 o 3 8 1 39.36 40.55 6.58 o 3 8 -1 39.33 38.77 7.05 o 4 8 1 113.52 115.24 6.57 o 4 8 -1 113.45 112.81 7.04 o 5 8 1 87.01 79.42 6.57 o 5 8 -1 86.77 79.10 6.27 o 6 8 1 25.31 28.37 6.94 o 6 8 -1 25.19 31.84 6.63 o 7 8 1 2.92 8.21 8.55 < 0 9 1 38.67 39.13 13.47 < 0 9 -1 39.01 53.76 10.90 o 1 9 1 5.10 12.38 9.10 < 1 9 -1 5.15 7.56 7.68 < 2 9 1 4.11 1.42 8.00 < 2 9 -1 4.10 5.71 7.91 < 3 9 1 49.18 56.83 8.09 o 3 9 -1 48.96 51.69 7.64 o 4 9 1 197.84 212.82 8.19 o 4 9 -1 197.94 229.49 8.78 o 5 9 1 11.75 17.12 13.06 < 5 9 -1 11.79 15.58 8.49 < 1 10 1 1.13 -0.47 17.25 < 1 10 -1 1.18 1.99 12.95 < 0 0 -2 329.17 335.98 8.93 o 2 0 2 695.07 709.08 8.98 o 2 0 -2 696.23 672.93 9.59 o 4 0 2 18.46 16.11 6.50 < 4 0 -2 18.38 16.77 5.00 o 6 0 2 105.08 101.59 6.95 o 6 0 -2 105.62 97.11 4.94 o 8 0 2 663.95 680.83 8.74 o 8 0 -2 662.39 640.22 6.26 o 10 0 2 6.46 6.18 9.35 < 10 0 -2 6.25 13.40 6.79 < 1 1 2 786.43 825.68 7.56 o 1 1 -2 786.44 794.92 7.46 o 2 1 2 723.07 768.95 6.72 o 2 1 -2 723.89 768.16 5.88 o 3 1 2 410.74 421.79 5.42 o 3 1 -2 411.36 418.35 4.41 o 4 1 2 375.42 395.23 5.60 o 4 1 -2 375.65 381.50 3.97 o 5 1 2 254.10 254.29 5.06 o 5 1 -2 254.67 256.16 3.66 o 6 1 2 63.78 60.70 4.96 o 6 1 -2 63.75 67.50 3.56 o 7 1 2 52.17 42.87 5.53 o 7 1 -2 52.26 51.74 3.66 o 8 1 2 6.24 20.08 5.44 o 8 1 -2 6.32 13.48 4.06 o 9 1 2 17.25 20.07 5.95 o 9 1 -2 17.26 18.92 4.28 o 10 1 2 13.17 13.44 6.69 < 10 1 -2 13.07 15.64 5.04 o 11 1 2 27.18 32.51 7.68 o 11 1 -2 27.19 34.38 7.66 o 0 2 -2 701.99 763.55 8.50 o 1 2 2 806.15 850.83 9.54 o 1 2 -2 805.72 851.80 8.30 o 2 2 2 235.03 258.44 5.82 o 2 2 -2 235.27 241.20 5.07 o 3 2 2 341.10 354.69 5.98 o 3 2 -2 340.83 352.88 4.93 o 4 2 2 695.55 718.15 6.32 o 4 2 -2 695.45 700.78 5.08 o 5 2 2 174.07 171.44 5.05 o 5 2 -2 173.87 167.28 3.70 o 6 2 2 452.71 448.94 5.61 o 6 2 -2 452.91 449.03 4.10 o 7 2 2 46.48 43.79 5.68 o 7 2 -2 46.25 41.44 3.90 o 8 2 2 29.69 35.38 5.55 o 8 2 -2 29.62 26.68 3.96 o 9 2 2 28.24 32.26 6.10 o 9 2 -2 28.24 29.95 4.38 o 10 2 2 35.06 46.60 7.01 o 10 2 -2 34.78 40.56 5.21 o 1 3 -2 509.56 533.61 7.75 o 2 3 2 193.17 202.26 6.30 o 2 3 -2 193.06 201.36 6.02 o 3 3 2 412.96 429.07 5.17 o 3 3 -2 413.08 419.09 6.18 o 4 3 2 229.79 231.65 4.64 o 4 3 -2 229.95 233.74 5.46 o 5 3 2 325.30 337.01 4.66 o 5 3 -2 325.79 326.30 4.11 o 6 3 2 115.92 110.38 4.56 o 6 3 -2 115.98 117.65 3.86 o 7 3 2 14.09 12.45 4.89 < 7 3 -2 14.06 14.56 4.40 o 8 3 2 290.53 284.63 5.31 o 8 3 -2 290.10 281.06 5.23 o 9 3 2 11.77 21.97 6.35 o 9 3 -2 11.90 6.94 5.44 < 10 3 2 61.18 61.86 7.84 o 10 3 -2 61.25 50.40 5.91 o 0 4 -2 159.34 144.52 6.86 o 1 4 -2 245.63 243.91 5.09 o 2 4 2 16.73 16.15 5.72 < 2 4 -2 16.70 24.96 6.33 o 3 4 2 399.50 398.42 5.74 o 3 4 -2 399.66 382.91 6.59 o 4 4 2 514.22 497.43 5.38 o 4 4 -2 513.81 483.41 6.41 o 5 4 2 60.86 54.29 4.60 o 5 4 -2 60.85 61.16 5.87 o 6 4 2 459.77 456.59 5.33 o 6 4 -2 459.59 438.73 5.01 o 7 4 2 108.78 122.84 5.00 o 7 4 -2 109.01 114.54 4.71 o 8 4 2 12.47 12.57 5.59 < 8 4 -2 12.47 8.87 4.97 < 9 4 2 55.16 62.74 5.97 o 9 4 -2 55.43 61.43 5.59 o 10 4 2 22.93 18.25 8.28 < 10 4 -2 22.66 20.21 6.65 o 1 5 2 441.69 477.80 19.74 o 1 5 -2 441.27 447.48 5.34 o 2 5 2 250.00 252.24 9.14 o 2 5 -2 249.72 242.42 7.29 o 3 5 2 25.25 26.87 5.44 o 3 5 -2 25.18 21.07 6.03 o 4 5 2 105.94 117.57 5.17 o 4 5 -2 105.59 98.62 5.98 o 5 5 2 116.89 114.10 5.15 o 5 5 -2 117.17 119.31 6.17 o 6 5 2 4.85 4.99 5.10 < 6 5 -2 4.84 3.70 4.80 < 7 5 2 40.31 39.87 5.25 o 7 5 -2 40.30 41.22 5.19 o 8 5 2 76.80 79.84 6.02 o 8 5 -2 76.82 74.20 5.74 o 9 5 2 27.55 34.76 6.08 o 9 5 -2 27.59 33.74 6.35 o 0 6 -2 378.51 346.81 7.84 o 1 6 2 262.65 217.94 10.18 o 1 6 -2 263.03 265.30 5.76 o 2 6 2 163.47 170.85 7.79 o 2 6 -2 163.29 158.39 5.75 o 3 6 2 43.21 49.21 7.98 o 3 6 -2 42.96 44.07 6.48 o 4 6 2 41.01 28.01 5.65 o 4 6 -2 41.31 37.18 6.59 o 5 6 2 137.82 140.11 5.87 o 5 6 -2 137.92 118.71 6.28 o 6 6 2 0.50 1.61 5.50 < 6 6 -2 0.53 2.67 5.23 < 7 6 2 86.51 95.35 6.08 o 7 6 -2 86.45 84.36 5.70 o 8 6 2 23.38 27.60 6.63 o 8 6 -2 23.48 31.43 6.22 o 1 7 2 141.75 138.41 10.05 o 1 7 -2 141.93 135.65 5.66 o 2 7 2 26.72 30.29 8.55 o 2 7 -2 26.82 24.22 5.57 o 3 7 2 14.07 18.60 7.49 < 3 7 -2 14.08 22.88 6.14 o 4 7 2 9.00 17.44 8.34 < 4 7 -2 8.97 16.68 7.28 < 5 7 2 97.02 104.18 6.59 o 5 7 -2 96.32 96.89 7.29 o 6 7 2 1.10 8.32 6.64 < 6 7 -2 1.12 0.08 6.09 < 7 7 2 37.10 40.69 7.01 o 7 7 -2 37.02 34.72 6.65 o 0 8 2 332.07 164.25 12.11 o 0 8 -2 333.84 364.45 10.37 o 1 8 2 11.97 17.59 11.64 < 1 8 -2 12.02 8.83 6.05 < 2 8 2 12.51 12.21 9.57 < 2 8 -2 12.68 17.38 6.22 < 3 8 2 64.48 76.18 8.64 o 3 8 -2 64.44 71.92 7.48 o 4 8 2 79.63 87.38 8.28 o 4 8 -2 80.03 79.69 6.76 o 5 8 2 119.38 127.30 10.09 o 5 8 -2 119.50 122.24 10.24 o 6 8 2 16.97 24.81 7.92 o 6 8 -2 16.82 21.99 7.24 o 1 9 -2 34.83 44.12 8.15 o 2 9 2 55.44 65.45 13.43 o 2 9 -2 55.55 58.78 7.84 o 3 9 2 60.39 72.30 11.41 o 3 9 -2 59.95 68.51 7.43 o 4 9 2 31.82 36.86 12.51 < 4 9 -2 31.70 26.42 8.34 o 2 0 3 236.96 237.68 8.09 o 2 0 -3 236.74 234.15 7.90 o 4 0 3 42.47 49.12 7.86 o 4 0 -3 42.45 44.67 4.83 o 6 0 3 309.77 318.15 8.85 o 6 0 -3 309.29 300.56 5.93 o 8 0 3 53.77 45.32 9.59 o 8 0 -3 53.50 56.37 6.01 o 10 0 3 125.72 128.58 10.49 o 10 0 -3 126.10 131.44 7.50 o 0 1 -3 112.54 105.30 5.69 o 1 1 -3 571.80 577.73 6.25 o 2 1 3 198.51 199.83 5.70 o 2 1 -3 198.16 197.85 5.89 o 3 1 3 457.67 449.94 5.88 o 3 1 -3 457.42 451.33 4.90 o 4 1 3 351.56 345.73 5.48 o 4 1 -3 351.89 340.49 4.60 o 5 1 3 177.95 187.16 5.18 o 5 1 -3 177.97 173.49 3.80 o 6 1 3 129.72 129.53 5.32 o 6 1 -3 129.10 119.29 3.90 o 7 1 3 141.29 146.21 6.09 o 7 1 -3 141.23 139.00 4.01 o 8 1 3 28.46 27.08 6.39 o 8 1 -3 28.54 25.87 4.42 o 9 1 3 81.49 89.61 6.61 o 9 1 -3 81.75 88.72 4.77 o 10 1 3 7.57 12.08 8.00 < 10 1 -3 7.63 15.36 5.44 < 1 2 -3 195.22 202.22 4.32 o 2 2 3 51.81 56.91 5.87 o 2 2 -3 52.16 52.20 5.02 o 3 2 3 241.48 250.86 5.98 o 3 2 -3 241.34 237.44 5.06 o 4 2 3 416.91 412.09 5.93 o 4 2 -3 416.17 407.92 5.14 o 5 2 3 285.29 276.09 5.81 o 5 2 -3 285.74 286.77 5.04 o 6 2 3 115.54 106.91 5.75 o 6 2 -3 115.53 111.89 4.24 o 7 2 3 6.69 7.09 5.52 < 7 2 -3 6.65 11.11 4.11 < 8 2 3 39.85 41.39 6.56 o 8 2 -3 39.70 43.81 4.51 o 9 2 3 28.71 27.82 6.67 o 9 2 -3 28.56 20.17 5.17 o 10 2 3 63.94 64.11 7.58 o 10 2 -3 64.09 35.96 5.63 o 0 3 -3 850.49 848.93 8.49 o 1 3 -3 242.94 250.13 5.17 o 2 3 3 40.95 33.40 7.10 o 2 3 -3 40.93 35.18 6.10 o 3 3 3 15.70 11.79 6.01 < 3 3 -3 15.66 14.27 4.95 < 4 3 3 245.39 239.20 6.14 o 4 3 -3 245.46 239.31 5.21 o 5 3 3 21.49 24.07 5.91 o 5 3 -3 21.47 27.14 5.06 o 6 3 3 382.92 395.34 6.34 o 6 3 -3 383.23 376.21 4.49 o 7 3 3 49.61 53.98 5.80 o 7 3 -3 49.65 51.27 4.45 o 8 3 3 14.37 18.58 6.27 < 8 3 -3 14.22 15.60 4.83 o 9 3 3 61.75 74.33 7.60 o 9 3 -3 61.86 68.07 5.74 o 1 4 -3 71.59 77.35 4.96 o 2 4 -3 379.63 382.68 7.76 o 3 4 3 391.10 391.36 7.67 o 3 4 -3 391.05 381.45 7.48 o 4 4 3 108.24 112.63 6.44 o 4 4 -3 108.49 108.12 6.02 o 5 4 3 5.72 13.35 6.12 < 5 4 -3 5.78 7.39 6.10 < 6 4 3 134.80 127.74 6.70 o 6 4 -3 134.79 140.10 5.22 o 7 4 3 10.97 12.38 6.50 < 7 4 -3 11.14 21.00 5.44 o 8 4 3 146.54 153.55 7.25 o 8 4 -3 146.87 164.03 5.79 o 9 4 3 85.43 87.87 8.11 o 9 4 -3 85.29 83.12 6.12 o 0 5 -3 281.79 271.79 7.57 o 1 5 -3 159.47 153.26 5.22 o 2 5 -3 219.86 213.19 5.39 o 3 5 3 773.79 747.56 19.98 o 3 5 -3 773.53 688.59 10.00 o 4 5 3 44.97 39.79 7.07 o 4 5 -3 45.10 41.00 7.28 o 5 5 3 6.01 14.96 6.54 < 5 5 -3 6.00 9.46 6.52 < 6 5 3 88.71 84.81 7.03 o 6 5 -3 88.67 80.47 6.99 o 7 5 3 3.96 11.47 7.45 < 7 5 -3 4.01 9.08 5.57 < 8 5 3 56.47 62.70 7.73 o 8 5 -3 56.42 57.37 6.23 o 1 6 -3 9.97 17.19 5.74 < 2 6 -3 78.33 78.03 5.51 o 3 6 -3 80.93 80.17 5.64 o 4 6 3 68.25 63.78 8.75 o 4 6 -3 68.26 54.88 8.24 o 5 6 3 47.18 47.24 7.56 o 5 6 -3 47.10 47.33 7.52 o 6 6 3 1.16 0.17 8.08 < 6 6 -3 1.19 -6.67 7.53 < 7 6 3 125.95 137.51 8.37 o 7 6 -3 125.85 132.10 6.27 o 0 7 -3 27.16 23.90 8.19 < 1 7 -3 14.28 7.62 5.84 < 2 7 -3 20.00 26.88 6.39 o 3 7 -3 18.00 9.55 6.20 < 4 7 -3 19.56 18.44 6.43 < 5 7 3 65.12 66.27 16.16 o 5 7 -3 65.13 62.73 9.34 o 6 7 3 63.27 68.91 9.13 o 6 7 -3 63.51 65.82 8.96 o 1 8 -3 30.95 35.63 7.22 o 2 8 -3 116.75 133.77 7.48 o 3 8 -3 0.70 -3.34 7.55 < 4 8 -3 27.28 26.65 7.90 o 5 8 -3 1.91 7.98 10.79 < 0 9 -3 88.14 103.76 10.99 o 1 9 -3 168.45 185.70 8.42 o 2 9 -3 85.59 99.48 7.80 o 0 0 -4 320.32 300.99 8.63 o 2 0 -4 417.22 404.64 8.89 o 4 0 4 185.99 194.32 7.64 o 4 0 -4 184.88 183.51 5.41 o 6 0 4 99.51 104.79 9.24 o 6 0 -4 99.88 102.65 6.57 o 8 0 4 184.43 197.30 9.52 o 8 0 -4 185.22 187.46 6.87 o 1 1 -4 270.86 264.46 4.47 o 2 1 -4 35.30 41.34 5.57 o 3 1 4 150.29 158.50 5.64 o 3 1 -4 150.36 141.31 4.67 o 4 1 4 288.11 299.44 6.31 o 4 1 -4 287.38 286.21 4.98 o 5 1 4 119.45 122.71 6.30 o 5 1 -4 119.05 112.09 4.22 o 6 1 4 22.89 26.16 6.05 o 6 1 -4 22.97 24.66 4.00 o 7 1 4 12.04 11.92 6.05 < 7 1 -4 12.12 17.19 4.32 o 8 1 4 43.97 41.50 7.14 o 8 1 -4 43.76 45.76 4.91 o 9 1 4 9.41 7.72 7.92 < 9 1 -4 9.45 9.74 5.46 < 0 2 -4 315.78 311.98 6.96 o 1 2 -4 75.69 75.50 4.43 o 2 2 -4 81.65 77.06 5.32 o 3 2 4 167.20 175.19 6.47 o 3 2 -4 167.47 154.79 5.18 o 4 2 4 377.27 373.58 6.60 o 4 2 -4 376.96 369.52 5.41 o 5 2 4 207.91 211.26 6.50 o 5 2 -4 207.90 206.05 5.56 o 6 2 4 6.43 1.76 6.12 < 6 2 -4 6.38 8.17 4.42 < 7 2 4 58.12 66.75 6.69 o 7 2 -4 57.97 54.66 4.66 o 8 2 4 53.36 52.96 7.39 o 8 2 -4 53.64 49.78 5.27 o 9 2 4 23.57 28.24 8.13 o 9 2 -4 23.37 23.98 5.65 o 1 3 -4 98.65 90.62 5.05 o 2 3 -4 341.30 321.90 5.41 o 3 3 4 86.35 91.46 7.25 o 3 3 -4 86.68 84.13 5.81 o 4 3 4 26.24 30.65 6.56 o 4 3 -4 26.38 27.03 5.67 o 5 3 4 242.59 220.16 6.84 o 5 3 -4 242.00 236.77 5.84 o 6 3 4 4.13 2.65 6.88 < 6 3 -4 4.11 6.60 4.89 < 7 3 4 135.47 133.70 7.61 o 7 3 -4 135.16 131.96 5.07 o 8 3 4 41.12 35.74 7.64 o 8 3 -4 41.30 38.53 5.46 o 0 4 -4 150.12 135.51 7.51 o 1 4 -4 221.71 207.65 5.44 o 2 4 -4 21.48 20.83 5.21 o 3 4 -4 37.58 39.81 9.13 o 4 4 4 14.31 19.45 7.64 < 4 4 -4 14.33 16.32 7.13 < 5 4 4 148.74 150.15 7.06 o 5 4 -4 148.89 158.31 7.36 o 6 4 4 243.51 264.52 7.58 o 6 4 -4 243.78 259.62 7.49 o 7 4 4 37.49 24.54 7.92 o 7 4 -4 37.31 35.14 6.16 o 8 4 4 31.70 26.97 8.17 o 8 4 -4 31.61 29.60 6.73 o 1 5 -4 202.55 201.54 5.67 o 2 5 -4 11.02 9.78 5.48 < 3 5 -4 73.40 75.98 5.76 o 4 5 -4 28.57 20.30 9.74 < 5 5 4 4.38 2.31 8.57 < 5 5 -4 4.31 3.56 8.44 < 6 5 4 31.80 42.09 8.43 o 6 5 -4 31.85 38.83 8.26 o 7 5 4 67.98 77.09 9.13 o 7 5 -4 68.00 75.06 6.67 o 0 6 -4 562.49 564.37 9.10 o 1 6 -4 72.91 74.65 5.95 o 2 6 -4 18.75 7.43 6.01 < 3 6 -4 11.91 22.99 6.12 o 4 6 -4 13.06 18.33 6.35 < 5 6 -4 5.74 17.40 11.58 < 6 6 4 22.37 21.34 10.63 < 6 6 -4 22.58 25.06 9.99 < 1 7 -4 191.50 198.08 6.70 o 2 7 -4 84.48 93.68 6.76 o 3 7 -4 7.70 16.70 6.84 < 4 7 -4 21.32 23.14 7.24 o 5 7 -4 72.47 75.78 7.62 o 0 8 -4 131.76 134.55 10.66 o 1 8 -4 24.83 31.88 7.47 o 2 8 -4 36.57 39.27 7.64 o 2 0 -5 1129.85 1113.96 7.81 o 4 0 5 7.61 6.48 9.44 < 4 0 -5 7.74 8.04 6.62 < 6 0 5 100.84 99.59 9.28 o 6 0 -5 100.88 112.24 7.52 o 8 0 5 5.07 12.91 12.47 < 8 0 -5 5.07 9.90 7.66 < 0 1 -5 546.03 553.96 7.34 o 1 1 -5 128.40 123.09 4.58 o 2 1 -5 23.69 23.33 4.21 o 3 1 -5 32.82 36.12 5.23 o 4 1 5 32.31 37.18 6.73 o 4 1 -5 32.25 27.86 5.70 o 5 1 5 106.11 114.62 6.68 o 5 1 -5 105.96 105.24 4.90 o 6 1 5 24.90 22.95 7.03 o 6 1 -5 24.81 23.84 5.00 o 7 1 5 77.36 88.56 7.67 o 7 1 -5 77.57 72.57 5.46 o 8 1 5 54.01 58.85 7.83 o 8 1 -5 54.34 63.31 5.76 o 1 2 -5 54.79 50.24 4.91 o 2 2 -5 85.42 88.46 4.58 o 3 2 -5 124.15 121.11 4.66 o 4 2 -5 2.80 4.87 5.82 < 5 2 5 4.39 1.40 7.17 < 5 2 -5 4.34 6.33 6.31 < 6 2 5 11.94 19.92 7.20 < 6 2 -5 11.81 12.59 5.31 < 7 2 5 22.94 37.36 8.34 o 7 2 -5 23.17 24.41 5.57 o 0 3 -5 24.78 19.58 7.77 < 1 3 -5 119.41 102.45 7.48 o 2 3 -5 73.51 55.23 5.93 o 3 3 -5 113.52 113.62 5.30 o 4 3 -5 27.95 30.19 6.52 o 5 3 5 6.44 8.57 8.40 < 5 3 -5 6.48 4.28 6.62 < 6 3 5 36.65 42.98 8.09 o 6 3 -5 36.62 37.94 5.72 o 7 3 5 58.70 46.59 8.11 o 7 3 -5 58.72 52.69 5.76 o 1 4 -5 135.81 122.84 6.06 o 2 4 -5 36.51 37.39 6.01 o 3 4 -5 3.58 6.22 6.14 < 4 4 -5 73.34 71.57 8.90 o 5 4 -5 99.68 97.91 8.77 o 6 4 5 5.29 7.89 9.02 < 6 4 -5 5.25 8.08 8.85 < 0 5 -5 30.97 47.25 8.79 o 1 5 -5 16.88 18.82 6.24 o 2 5 -5 3.91 3.81 6.39 < 3 5 -5 96.05 119.03 6.65 o 4 5 -5 24.93 31.94 6.84 o 5 5 -5 208.79 223.75 10.54 o 1 6 -5 28.34 30.59 6.84 o 2 6 -5 6.21 13.18 6.90 < 3 6 -5 17.87 17.86 7.13 < 4 6 -5 168.00 181.19 7.70 o 0 7 -5 96.50 85.95 10.85 o 1 7 -5 52.62 57.55 7.67 o 0 0 -6 721.27 741.30 11.47 o 2 0 -6 404.82 406.32 7.81 o 4 0 -6 8.14 3.83 6.43 < 6 0 6 133.57 149.21 12.93 o 6 0 -6 134.56 131.07 9.22 o 1 1 -6 92.49 79.66 5.49 o 2 1 -6 63.90 66.08 5.36 o 3 1 -6 36.71 34.87 4.89 o 4 1 -6 88.31 88.91 5.32 o 5 1 -6 19.53 23.94 5.80 o 6 1 6 102.90 117.19 8.62 o 6 1 -6 103.17 100.77 7.16 o 0 2 -6 31.10 28.73 8.11 o 1 2 -6 0.88 1.71 5.95 < 2 2 -6 53.37 46.27 5.48 o 3 2 -6 56.24 58.93 5.55 o 4 2 -6 83.70 86.13 5.47 o 5 2 -6 78.82 62.51 7.10 o 1 3 -6 0.28 -2.65 6.60 < 2 3 -6 14.71 18.41 8.25 < 3 3 -6 11.01 5.08 6.82 < 4 3 -6 17.64 20.30 6.58 o 5 3 -6 60.31 58.00 6.67 o 0 4 -6 168.73 171.91 10.01 o 1 4 -6 8.06 15.66 7.01 < 2 4 -6 9.16 14.94 7.13 < 3 4 -6 117.25 132.00 7.57 o 4 4 -6 114.25 126.12 8.39 o 1 5 -6 19.05 15.87 7.58 < 2 5 -6 0.69 6.12 8.23 < 2 0 -7 29.11 31.41 9.04 o 0 1 -7 98.84 95.23 9.53 o 1 1 -7 61.12 62.79 6.61 o