#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000115.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_3000115 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 8.4386(11) _cell_length_b 7.3725(16) _cell_length_c 5.1954(19) _cell_measurement_temperature 123 _cell_volume 323.22(14) _diffrn_ambient_temperature 123 _diffrn_measured_fraction_theta_full 0.99 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'IPDS Stoe' _diffrn_measurement_method '??integration method??' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0323 _diffrn_reflns_av_unetI/netI 0.0311 _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 1898 _diffrn_reflns_theta_full 29.25 _diffrn_reflns_theta_max 29.25 _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 0.15 _refine_diff_density_min -0.17 _refine_ls_abs_structure_details ' 267 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 2300(300) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.33 _refine_ls_goodness_of_fit_ref 1.26 _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 0.0323 _refine_ls_R_factor_gt 0.0248 _refine_ls_shift/su_max 0.0104 _refine_ls_shift/su_mean 0.0024 _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 638 _reflns_number_total 750 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_123K.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 3000115 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 0.4154(3) 0.5676(4) -0.0065(8) Uani 0.0132(9) 4 1 d . . . B1 B 0.5096(2) 0.8353(3) 0.3534(4) Uani 0.0069(5) 4 1 d . . . B2 B 0.6949(2) 0.0575(3) 0.5504(4) Uani 0.0063(6) 4 1 d . . . B3 B 0.6573(2) 0.7514(3) 0.7328(4) Uani 0.0068(5) 4 1 d . . . O1 O 0.58576(12) 0.99648(17) 0.3466(3) Uani 0.0065(3) 4 1 d . . . O2 O 0.38337(13) 0.79419(17) 0.1971(3) Uani 0.0065(3) 4 1 d . . . O3 O 0.55845(12) 0.70169(18) 0.5277(3) Uani 0.0073(4) 4 1 d . . . O4 O 0.74037(13) 0.90971(16) 0.7322(3) Uani 0.0064(3) 4 1 d . . . O5 O 0.65972(13) 0.62602(18) 0.9272(2) Uani 0.0069(3) 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 0.0174(14) 0.0075(14) 0.0148(19) -0.0007(12) -0.0031(13) -0.0009(15) B1 B 0.0072(8) 0.0061(10) 0.0074(10) 0.0027(7) 0.0034(8) -0.0014(9) B2 B 0.0074(9) 0.0050(9) 0.0066(11) -0.0008(7) -0.0004(8) -0.0001(9) B3 B 0.0062(7) 0.0053(9) 0.0091(11) 0.0023(6) 0.0017(8) -0.0022(10) O1 O 0.0076(5) 0.0055(6) 0.0064(6) -0.0007(4) -0.0011(5) 0.0009(6) O2 O 0.0073(5) 0.0045(6) 0.0077(7) 0.0001(5) 0.0000(5) 0.0013(7) O3 O 0.0091(6) 0.0056(6) 0.0072(7) -0.0001(5) -0.0014(5) 0.0002(6) O4 O 0.0080(5) 0.0051(6) 0.0061(6) -0.0004(4) -0.0006(5) 0.0014(7) O5 O 0.0060(5) 0.0065(6) 0.0083(6) -0.0005(4) -0.0006(5) 0.0007(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 O1 B1 O2 . . . 123.22(17) O1 B1 O3 . . . 119.70(16) O2 B1 O3 . . . 117.08(16) O1 B2 O2 1_545 . 2_665 108.36(13) O1 B2 O4 1_545 . 1_545 113.10(15) O1 B2 O5 1_545 . 4_644 108.22(16) O2 B2 O4 2_665 . 1_545 109.08(16) O2 B2 O5 2_665 . 4_644 109.91(15) O4 B2 O5 1_545 . 4_644 108.14(13) O3 B3 O4 . . . 121.90(18) O3 B3 O5 . . . 113.14(15) O4 B3 O5 . . . 124.95(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 B1 O1 . . 1.351(2) B1 O2 . . 1.373(2) B1 O3 . . 1.400(3) B2 O1 . 1_545 1.474(2) B2 O2 . 2_665 1.487(2) B2 O4 . 1_545 1.492(3) B2 O5 . 4_644 1.473(2) B3 O3 . . 1.402(2) B3 O4 . . 1.362(2) B3 O5 . . 1.369(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 1.68 2.12 4.38 < 4 0 0 421.44 441.66 4.77 o 6 0 0 152.97 147.53 3.79 o 8 0 0 0.19 -0.02 4.23 < 10 0 0 13.38 16.04 5.62 < 1 1 0 407.95 354.41 6.15 o 2 1 0 369.01 347.64 4.91 o 3 1 0 1.87 1.89 2.86 < 4 1 0 4.51 7.55 2.47 o 5 1 0 0.74 7.10 2.45 < 6 1 0 346.60 355.76 2.97 o 7 1 0 133.97 127.60 3.16 o 8 1 0 340.84 342.95 3.23 o 9 1 0 230.21 232.45 3.66 o 10 1 0 61.23 64.76 4.11 o 11 1 0 31.64 33.00 4.34 o 0 2 0 144.82 140.02 7.94 o 1 2 0 275.78 253.58 5.91 o 2 2 0 414.81 392.58 5.36 o 3 2 0 870.57 909.77 4.94 o 4 2 0 134.54 142.30 3.58 o 5 2 0 702.72 697.60 4.21 o 6 2 0 296.70 307.16 3.52 o 7 2 0 238.03 238.79 3.33 o 8 2 0 47.14 45.84 3.24 o 9 2 0 30.15 32.51 3.51 o 10 2 0 93.67 96.67 4.32 o 11 2 0 0.90 1.27 4.81 < 1 3 0 399.87 432.21 5.26 o 2 3 0 4.36 9.40 3.69 < 3 3 0 104.55 110.57 3.14 o 4 3 0 103.05 97.84 2.99 o 5 3 0 33.15 33.99 3.16 o 6 3 0 156.12 150.27 3.58 o 7 3 0 276.74 276.80 3.71 o 8 3 0 7.08 11.19 3.32 o 9 3 0 320.35 318.49 4.52 o 10 3 0 118.47 116.76 4.82 o 11 3 0 1.53 5.54 4.61 < 0 4 0 45.11 48.01 5.90 o 1 4 0 624.29 630.19 7.98 o 2 4 0 443.39 444.49 5.22 o 3 4 0 440.77 435.16 4.52 o 4 4 0 374.35 378.58 3.93 o 5 4 0 215.93 210.45 3.91 o 6 4 0 166.11 166.29 3.54 o 7 4 0 278.60 270.94 3.87 o 8 4 0 65.52 66.87 3.59 o 9 4 0 27.88 25.16 4.17 o 10 4 0 33.17 35.95 5.00 o 1 5 0 325.51 324.84 4.80 o 2 5 0 122.01 112.40 3.83 o 3 5 0 223.68 204.10 4.46 o 4 5 0 9.70 17.41 3.65 o 5 5 0 233.91 216.08 3.62 o 6 5 0 16.35 19.97 3.28 o 7 5 0 133.83 134.61 3.87 o 8 5 0 0.04 1.10 3.71 < 9 5 0 49.71 55.06 5.09 o 10 5 0 0.03 0.00 5.73 < 0 6 0 8.65 7.78 5.19 < 1 6 0 56.13 52.40 4.67 o 2 6 0 678.77 665.22 5.56 o 3 6 0 48.05 54.71 3.90 o 4 6 0 14.91 17.43 3.65 o 5 6 0 144.37 132.85 4.18 o 6 6 0 0.81 -0.15 4.00 < 7 6 0 21.58 17.06 4.61 o 8 6 0 1.39 1.43 4.90 < 9 6 0 1.29 3.82 5.21 < 1 7 0 83.31 86.17 4.86 o 2 7 0 146.13 159.85 4.82 o 3 7 0 462.14 450.36 8.16 o 4 7 0 283.70 260.73 3.85 o 5 7 0 86.25 81.34 3.97 o 6 7 0 22.00 27.35 4.15 o 7 7 0 107.33 111.53 4.88 o 8 7 0 8.93 13.41 4.92 < 0 8 0 3.68 9.98 7.49 < 1 8 0 8.25 11.68 5.29 < 2 8 0 20.88 27.00 5.44 o 3 8 0 316.27 308.33 6.04 o 4 8 0 105.67 113.26 4.26 o 5 8 0 6.13 10.85 4.92 < 6 8 0 47.62 52.31 5.02 o 7 8 0 7.80 8.22 5.02 < 1 9 0 0.16 0.25 6.52 < 2 9 0 148.26 141.07 6.36 o 3 9 0 0.76 3.13 6.31 < 4 9 0 57.41 65.38 5.46 o 5 9 0 296.20 325.51 6.08 o 0 10 0 95.68 101.88 9.97 o 1 10 0 62.14 74.04 8.22 o 2 0 1 2347.92 2297.50 15.07 o 2 0 -1 2348.45 2289.10 10.33 o 4 0 1 2127.56 2146.58 7.63 o 4 0 -1 2129.20 2169.26 7.68 o 6 0 1 280.13 281.71 4.02 o 6 0 -1 280.05 281.18 4.00 o 8 0 1 250.66 250.70 6.10 o 8 0 -1 250.86 246.01 4.21 o 10 0 1 41.15 47.27 6.79 o 10 0 -1 40.95 43.37 5.79 o 0 1 -1 37.84 34.46 7.20 o 1 1 1 1167.30 1157.43 9.66 o 1 1 -1 1167.22 1148.32 8.07 o 2 1 1 1598.03 1561.90 7.09 o 2 1 -1 1598.46 1546.31 7.17 o 3 1 1 1162.17 1186.39 5.64 o 3 1 -1 1163.44 1172.40 4.74 o 4 1 1 492.94 495.76 4.06 o 4 1 -1 494.01 495.52 3.30 o 5 1 1 172.95 171.93 3.25 o 5 1 -1 172.79 171.22 2.77 o 6 1 1 87.59 90.46 2.99 o 6 1 -1 87.72 95.22 2.72 o 7 1 1 70.86 74.03 3.09 o 7 1 -1 70.50 67.72 2.82 o 8 1 1 77.00 73.69 3.26 o 8 1 -1 76.59 75.58 2.80 o 9 1 1 70.49 70.61 3.55 o 9 1 -1 70.37 69.38 3.05 o 10 1 1 250.60 249.17 5.62 o 10 1 -1 250.46 254.08 3.97 o 11 1 1 1.95 12.43 5.44 < 11 1 -1 2.01 2.41 4.25 < 1 2 1 659.22 665.09 6.62 o 1 2 -1 658.64 636.65 7.26 o 2 2 1 1752.00 1763.97 7.26 o 2 2 -1 1750.91 1696.35 8.38 o 3 2 1 147.40 159.83 3.31 o 3 2 -1 147.39 155.12 3.10 o 4 2 1 254.14 269.00 3.49 o 4 2 -1 254.38 270.09 3.07 o 5 2 1 20.44 23.39 3.28 o 5 2 -1 20.48 26.30 2.59 o 6 2 1 199.25 205.56 3.46 o 6 2 -1 199.57 204.17 2.77 o 7 2 1 261.30 257.85 3.64 o 7 2 -1 261.36 247.12 3.35 o 8 2 1 85.43 97.01 4.05 o 8 2 -1 84.98 88.47 3.05 o 9 2 1 0.74 -4.27 3.53 < 9 2 -1 0.73 4.19 3.55 < 10 2 1 34.81 34.48 3.99 o 10 2 -1 34.81 33.17 3.99 o 11 2 1 35.55 42.43 5.58 o 11 2 -1 35.58 39.87 4.90 o 0 3 1 1625.64 1721.59 17.91 o 0 3 -1 1622.89 1708.82 10.74 o 1 3 1 156.35 172.99 5.15 o 1 3 -1 156.26 174.43 5.15 o 2 3 1 259.39 275.01 4.24 o 2 3 -1 259.27 259.44 4.89 o 3 3 1 447.57 456.52 4.13 o 3 3 -1 447.90 445.87 4.57 o 4 3 1 68.48 73.16 3.32 o 4 3 -1 68.47 71.31 3.95 o 5 3 1 349.93 337.78 3.70 o 5 3 -1 349.80 332.29 3.63 o 6 3 1 211.37 199.01 3.54 o 6 3 -1 211.04 214.62 3.73 o 7 3 1 248.60 237.32 3.89 o 7 3 -1 248.72 247.65 3.66 o 8 3 1 326.67 327.08 4.04 o 8 3 -1 327.13 327.52 4.25 o 9 3 1 126.84 129.54 4.09 o 9 3 -1 126.81 126.25 4.36 o 10 3 1 7.02 12.97 4.11 o 10 3 -1 7.00 13.05 4.11 o 1 4 1 535.71 533.00 9.41 o 1 4 -1 535.41 540.12 6.62 o 2 4 1 673.02 681.25 4.90 o 2 4 -1 672.14 674.57 5.85 o 3 4 1 32.15 31.10 3.28 o 3 4 -1 31.96 34.96 3.97 o 4 4 1 22.00 23.35 3.59 o 4 4 -1 22.06 16.52 4.03 o 5 4 1 327.03 332.17 3.96 o 5 4 -1 327.53 328.78 3.90 o 6 4 1 22.83 21.21 3.59 o 6 4 -1 22.83 17.25 3.09 o 7 4 1 76.04 71.32 3.61 o 7 4 -1 76.26 72.76 3.61 o 8 4 1 91.50 83.56 4.18 o 8 4 -1 91.32 94.51 3.88 o 9 4 1 116.61 113.58 4.63 o 9 4 -1 116.58 116.55 4.01 o 10 4 1 66.45 64.93 4.80 o 10 4 -1 66.34 65.57 4.78 o 0 5 1 54.28 61.42 7.52 o 0 5 -1 54.02 50.16 6.25 o 1 5 1 90.02 91.30 5.40 o 1 5 -1 89.99 97.64 4.49 o 2 5 1 17.31 24.95 4.44 o 2 5 -1 17.39 21.09 4.05 o 3 5 1 81.21 81.55 3.76 o 3 5 -1 81.42 72.93 4.30 o 4 5 1 92.89 90.60 3.64 o 4 5 -1 92.76 90.08 4.30 o 5 5 1 433.71 415.08 4.20 o 5 5 -1 433.46 396.25 3.95 o 6 5 1 23.45 20.74 4.07 o 6 5 -1 23.23 24.57 3.28 o 7 5 1 158.33 156.26 3.93 o 7 5 -1 158.24 150.86 3.91 o 8 5 1 27.93 36.05 4.42 o 8 5 -1 28.02 27.67 4.38 o 9 5 1 15.11 16.12 4.86 o 9 5 -1 15.11 8.32 4.54 < 1 6 1 316.06 319.61 6.09 o 1 6 -1 316.01 320.92 4.73 o 2 6 1 186.41 178.65 5.43 o 2 6 -1 187.02 181.44 4.47 o 3 6 1 99.17 98.14 4.34 o 3 6 -1 99.14 93.67 4.47 o 4 6 1 72.09 66.59 3.80 o 4 6 -1 71.81 67.11 4.51 o 5 6 1 75.89 80.42 4.17 o 5 6 -1 75.47 65.92 3.45 o 6 6 1 7.38 7.33 4.30 < 6 6 -1 7.40 8.76 3.74 < 7 6 1 8.40 14.09 4.38 o 7 6 -1 8.42 8.11 4.07 < 8 6 1 1.70 0.25 4.48 < 8 6 -1 1.76 5.42 4.73 < 9 6 1 117.81 131.06 5.11 o 9 6 -1 117.85 119.97 5.44 o 0 7 1 564.55 534.52 9.74 o 0 7 -1 565.43 568.75 6.98 o 1 7 1 367.73 365.16 6.46 o 1 7 -1 368.10 357.45 5.05 o 2 7 1 90.11 88.39 5.53 o 2 7 -1 90.41 83.97 4.61 o 3 7 1 279.28 276.76 4.62 o 3 7 -1 278.93 281.13 6.56 o 4 7 1 0.34 -1.35 3.98 < 4 7 -1 0.32 2.95 5.19 < 5 7 1 40.35 37.80 4.28 o 5 7 -1 40.35 37.06 3.94 o 6 7 1 24.28 23.97 4.50 o 6 7 -1 24.48 21.77 4.75 o 7 7 1 77.02 84.87 5.23 o 7 7 -1 76.79 89.13 5.21 o 8 7 1 48.99 54.35 5.40 o 8 7 -1 48.65 49.57 5.04 o 1 8 1 68.47 64.75 5.94 o 1 8 -1 68.77 69.11 4.51 o 2 8 1 160.79 166.80 5.86 o 2 8 -1 161.43 167.70 5.28 o 3 8 1 36.05 40.31 4.88 o 3 8 -1 36.02 32.71 5.67 o 4 8 1 113.47 116.55 5.44 o 4 8 -1 113.40 111.98 5.92 o 5 8 1 85.90 81.79 5.42 o 5 8 -1 85.67 75.85 4.55 o 6 8 1 27.13 33.83 5.11 o 6 8 -1 27.01 31.17 4.75 o 0 9 1 40.09 48.72 10.17 o 0 9 -1 40.45 43.28 8.61 o 1 9 1 4.20 4.86 7.12 < 1 9 -1 4.23 5.15 5.58 < 2 9 1 4.54 10.08 5.42 < 2 9 -1 4.52 11.21 6.20 < 3 9 1 49.53 47.85 5.67 o 3 9 -1 49.30 56.14 5.31 o 4 9 1 194.28 207.10 6.09 o 4 9 -1 194.38 216.49 7.01 o 5 9 -1 13.71 11.37 10.04 < 1 10 -1 1.52 1.08 10.06 < 0 0 -2 330.31 345.40 7.83 o 2 0 2 690.23 721.77 8.52 o 2 0 -2 691.38 696.78 7.71 o 4 0 2 19.78 19.64 6.04 o 4 0 -2 19.69 14.88 3.82 o 6 0 2 107.53 92.16 6.46 o 6 0 -2 108.06 103.39 4.51 o 8 0 2 648.88 638.45 7.15 o 8 0 -2 647.32 633.60 5.44 o 10 0 2 5.98 9.03 7.06 < 10 0 -2 5.81 10.50 5.52 < 1 1 2 788.42 839.58 7.17 o 1 1 -2 788.43 806.57 6.81 o 2 1 2 725.56 788.74 6.25 o 2 1 -2 726.37 763.48 5.11 o 3 1 2 406.40 420.69 5.14 o 3 1 -2 407.02 407.89 4.00 o 4 1 2 368.42 381.27 4.68 o 4 1 -2 368.66 384.43 3.24 o 5 1 2 255.66 246.45 4.44 o 5 1 -2 256.22 249.10 2.96 o 6 1 2 64.84 61.98 4.17 o 6 1 -2 64.79 61.83 2.93 o 7 1 2 51.89 50.13 3.88 o 7 1 -2 51.97 49.09 3.18 o 8 1 2 7.53 11.41 4.57 < 8 1 -2 7.62 9.46 3.03 o 9 1 2 17.62 15.48 5.02 o 9 1 -2 17.63 19.92 3.51 o 10 1 2 13.47 12.62 5.02 < 10 1 -2 13.38 21.77 3.51 o 11 1 -2 28.37 36.30 3.99 o 0 2 -2 694.67 778.11 7.49 o 1 2 2 810.33 859.22 8.53 o 1 2 -2 809.89 844.25 7.28 o 2 2 2 238.40 254.47 5.28 o 2 2 -2 238.63 252.18 4.36 o 3 2 2 341.75 355.07 5.00 o 3 2 -2 341.48 352.00 3.95 o 4 2 2 694.69 706.81 5.28 o 4 2 -2 694.60 703.02 4.42 o 5 2 2 171.86 162.37 4.64 o 5 2 -2 171.66 167.78 3.12 o 6 2 2 447.35 443.56 5.22 o 6 2 -2 447.53 437.90 3.38 o 7 2 2 42.34 39.57 3.94 o 7 2 -2 42.11 39.05 2.76 o 8 2 2 28.48 28.98 4.67 o 8 2 -2 28.42 23.81 3.30 o 9 2 2 27.83 30.12 4.69 o 9 2 -2 27.83 30.22 3.45 o 10 2 2 37.78 42.60 5.13 o 10 2 -2 37.49 41.27 3.61 o 1 3 -2 505.17 544.00 6.45 o 2 3 2 195.42 204.26 5.27 o 2 3 -2 195.31 206.04 5.17 o 3 3 2 411.45 427.83 4.44 o 3 3 -2 411.57 416.68 5.56 o 4 3 2 236.44 230.98 3.98 o 4 3 -2 236.61 233.94 3.77 o 5 3 2 326.35 335.55 3.80 o 5 3 -2 326.84 327.80 3.32 o 6 3 2 113.52 111.65 3.93 o 6 3 -2 113.58 114.79 2.81 o 7 3 2 15.01 14.44 4.01 o 7 3 -2 14.96 17.58 3.11 o 8 3 2 279.63 283.42 4.12 o 8 3 -2 279.20 278.47 4.06 o 9 3 2 10.35 11.37 4.77 < 9 3 -2 10.47 15.85 4.15 o 10 3 2 62.02 66.05 5.42 o 10 3 -2 62.08 63.33 4.36 o 0 4 -2 161.67 157.29 6.47 o 1 4 -2 241.86 242.15 4.38 o 2 4 2 18.31 15.90 4.40 o 2 4 -2 18.27 13.45 4.67 < 3 4 2 400.62 392.47 4.58 o 3 4 -2 400.77 383.42 5.29 o 4 4 2 511.15 495.36 4.54 o 4 4 -2 510.76 477.79 5.40 o 5 4 2 59.01 57.42 3.61 o 5 4 -2 58.99 55.88 4.26 o 6 4 2 459.11 452.36 4.36 o 6 4 -2 458.94 431.06 4.24 o 7 4 2 109.43 114.48 3.86 o 7 4 -2 109.65 110.55 4.05 o 8 4 2 14.06 14.82 4.03 o 8 4 -2 14.05 13.30 3.96 o 9 4 2 58.23 61.41 4.48 o 9 4 -2 58.52 60.75 4.17 o 10 4 2 24.11 20.17 6.37 o 10 4 -2 23.85 15.30 4.98 o 1 5 2 454.25 455.42 9.68 o 1 5 -2 453.83 444.53 5.06 o 2 5 2 242.09 244.35 7.27 o 2 5 -2 241.81 237.56 6.87 o 3 5 2 23.36 21.69 4.28 o 3 5 -2 23.29 23.37 4.57 o 4 5 2 106.90 112.11 3.99 o 4 5 -2 106.55 101.66 4.45 o 5 5 2 113.31 107.77 4.07 o 5 5 -2 113.60 111.96 4.55 o 6 5 2 4.94 11.39 4.15 < 6 5 -2 4.93 3.49 4.11 < 7 5 2 39.96 39.50 4.23 o 7 5 -2 39.95 31.57 3.94 o 8 5 2 77.25 76.73 4.36 o 8 5 -2 77.29 65.25 4.65 o 9 5 2 26.75 32.27 5.11 o 9 5 -2 26.76 35.91 4.40 o 0 6 2 371.74 365.65 12.18 o 0 6 -2 372.42 361.67 7.28 o 1 6 2 265.14 259.32 7.56 o 1 6 -2 265.54 254.62 4.64 o 2 6 2 165.40 168.46 5.95 o 2 6 -2 165.23 172.57 4.58 o 3 6 2 45.34 48.46 5.98 o 3 6 -2 45.09 42.50 5.27 o 4 6 2 37.59 31.06 4.50 o 4 6 -2 37.88 33.05 4.98 o 5 6 2 138.64 143.49 4.24 o 5 6 -2 138.77 120.65 4.97 o 6 6 2 0.75 -2.28 4.50 < 6 6 -2 0.79 3.32 4.19 < 7 6 2 89.05 90.91 4.71 o 7 6 -2 88.98 81.39 4.34 o 8 6 2 27.34 32.77 5.04 o 8 6 -2 27.45 30.14 5.00 o 1 7 2 142.92 136.98 7.36 o 1 7 -2 143.08 139.27 4.34 o 2 7 2 25.48 24.62 5.83 o 2 7 -2 25.58 34.23 5.13 o 3 7 2 13.82 17.68 5.62 o 3 7 -2 13.82 18.64 4.77 o 4 7 2 8.57 8.55 6.35 < 4 7 -2 8.55 16.31 5.83 < 5 7 2 102.17 108.50 5.11 o 5 7 -2 101.46 94.08 5.88 o 6 7 2 1.27 1.99 5.02 < 6 7 -2 1.29 -0.04 5.23 < 7 7 2 34.85 35.22 5.73 o 7 7 -2 34.80 33.48 5.40 o 0 8 2 346.47 350.40 11.77 o 0 8 -2 348.31 332.93 8.54 o 1 8 2 14.09 14.46 7.91 < 1 8 -2 14.14 13.68 4.54 o 2 8 2 12.59 14.57 6.97 < 2 8 -2 12.78 17.66 4.65 o 3 8 2 66.28 68.81 6.81 o 3 8 -2 66.23 72.43 5.34 o 4 8 2 78.76 84.11 6.46 o 4 8 -2 79.16 78.10 5.05 o 5 8 2 118.24 123.61 7.75 o 5 8 -2 118.37 120.85 7.67 o 6 8 2 18.88 21.71 5.71 o 6 8 -2 18.72 22.04 5.35 o 1 9 2 38.90 35.23 19.41 < 1 9 -2 39.14 50.53 6.43 o 2 9 2 55.74 56.58 9.65 o 2 9 -2 55.85 62.01 5.42 o 3 9 2 63.27 69.14 8.22 o 3 9 -2 62.81 64.39 5.61 o 4 9 2 32.45 35.18 9.28 o 4 9 -2 32.34 34.83 6.43 o 2 0 3 238.99 249.04 5.92 o 2 0 -3 238.78 233.25 6.69 o 4 0 3 42.32 41.26 5.23 o 4 0 -3 42.30 43.19 4.32 o 6 0 3 304.60 297.36 6.21 o 6 0 -3 304.16 286.29 4.31 o 8 0 3 55.49 50.81 6.31 o 8 0 -3 55.19 58.16 5.40 o 10 0 3 123.71 124.11 9.43 o 10 0 -3 124.10 126.57 5.48 o 0 1 -3 115.72 113.24 4.47 o 1 1 -3 573.88 580.84 5.72 o 2 1 3 201.76 210.62 4.42 o 2 1 -3 201.40 201.29 4.73 o 3 1 3 455.74 451.58 5.21 o 3 1 -3 455.48 443.95 4.25 o 4 1 3 355.99 353.34 4.78 o 4 1 -3 356.33 345.06 3.95 o 5 1 3 176.88 167.49 4.51 o 5 1 -3 176.90 177.29 3.10 o 6 1 3 125.87 123.32 4.86 o 6 1 -3 125.25 120.85 2.99 o 7 1 3 141.44 135.69 4.78 o 7 1 -3 141.37 140.54 3.51 o 8 1 3 25.32 21.21 4.90 o 8 1 -3 25.40 26.30 3.11 o 9 1 3 84.39 88.16 5.55 o 9 1 -3 84.65 89.62 3.70 o 10 1 3 7.59 9.94 5.44 < 10 1 -3 7.65 14.48 4.67 o 1 2 -3 191.74 202.29 3.56 o 2 2 3 54.06 57.33 4.45 o 2 2 -3 54.41 50.68 3.76 o 3 2 3 240.41 242.74 4.65 o 3 2 -3 240.27 239.15 3.88 o 4 2 3 413.68 404.56 5.22 o 4 2 -3 412.93 411.76 4.14 o 5 2 3 277.37 282.00 4.75 o 5 2 -3 277.81 277.19 3.31 o 6 2 3 109.65 111.42 4.59 o 6 2 -3 109.65 109.39 3.18 o 7 2 3 6.45 10.06 4.65 < 7 2 -3 6.41 6.37 2.88 < 8 2 3 38.90 36.76 5.52 o 8 2 -3 38.74 38.13 3.36 o 9 2 3 29.61 30.53 5.60 o 9 2 -3 29.45 27.48 3.90 o 10 2 3 67.63 73.07 6.87 o 10 2 -3 67.79 64.24 4.42 o 0 3 -3 855.37 880.35 7.21 o 1 3 -3 247.07 250.63 4.09 o 2 3 3 40.39 39.35 5.54 o 2 3 -3 40.37 37.27 4.49 o 3 3 3 15.62 16.27 4.50 o 3 3 -3 15.59 14.22 3.98 o 4 3 3 241.88 231.04 5.06 o 4 3 -3 241.95 231.52 4.48 o 5 3 3 19.49 20.96 4.71 o 5 3 -3 19.46 24.53 3.59 o 6 3 3 382.90 383.30 5.19 o 6 3 -3 383.22 379.32 3.73 o 7 3 3 50.34 54.75 5.34 o 7 3 -3 50.38 56.22 3.57 o 8 3 3 15.99 19.69 5.21 o 8 3 -3 15.84 18.28 3.82 o 9 3 3 64.79 70.64 5.86 o 9 3 -3 64.90 64.22 3.92 o 1 4 -3 72.83 71.53 4.53 o 2 4 -3 384.29 382.82 6.20 o 3 4 3 389.19 382.58 6.37 o 3 4 -3 389.15 379.37 5.93 o 4 4 3 108.03 113.71 5.01 o 4 4 -3 108.27 98.75 5.28 o 5 4 3 5.50 1.64 4.86 < 5 4 -3 5.56 7.47 4.36 < 6 4 3 135.22 133.68 4.93 o 6 4 -3 135.21 131.16 3.84 o 7 4 3 11.25 14.51 5.52 < 7 4 -3 11.42 13.30 3.90 o 8 4 3 142.52 164.34 6.26 o 8 4 -3 142.84 155.86 4.47 o 9 4 3 83.09 83.17 6.81 o 9 4 -3 82.95 83.15 4.51 o 0 5 -3 279.17 275.48 5.92 o 1 5 -3 160.29 157.60 4.41 o 2 5 -3 218.90 209.61 4.16 o 3 5 3 771.59 733.18 16.48 o 3 5 -3 771.31 712.64 8.07 o 4 5 3 43.28 43.68 5.90 o 4 5 -3 43.42 44.10 5.40 o 5 5 3 6.25 11.29 4.71 < 5 5 -3 6.24 9.92 5.15 < 6 5 3 91.48 88.98 5.65 o 6 5 -3 91.45 84.50 5.63 o 7 5 3 3.82 10.54 5.40 < 7 5 -3 3.87 3.47 4.50 < 8 5 3 54.56 65.31 6.04 o 8 5 -3 54.52 56.99 4.69 o 1 6 -3 9.70 14.63 4.01 o 2 6 -3 78.92 79.76 4.11 o 3 6 -3 80.49 80.88 4.30 o 4 6 3 68.68 64.17 6.40 o 4 6 -3 68.69 53.99 6.21 o 5 6 3 48.46 47.11 5.75 o 5 6 -3 48.37 47.19 5.67 o 6 6 3 1.15 6.47 6.08 < 6 6 -3 1.16 2.95 6.43 < 7 6 3 125.38 137.29 6.71 o 7 6 -3 125.29 121.21 5.42 o 0 7 -3 27.89 17.56 7.64 < 1 7 -3 14.71 13.88 4.90 < 2 7 -3 19.91 25.96 5.00 o 3 7 -3 18.53 24.26 5.08 o 4 7 3 21.45 25.28 12.78 < 4 7 -3 21.17 24.01 5.33 o 5 7 3 63.83 67.15 11.81 o 5 7 -3 63.86 54.63 7.27 o 6 7 3 65.61 65.61 7.35 o 6 7 -3 65.85 64.62 7.77 o 1 8 -3 28.61 32.25 4.94 o 2 8 -3 117.96 131.43 5.11 o 3 8 -3 0.80 0.50 5.13 < 4 8 -3 27.83 29.08 6.02 o 5 8 -3 2.53 0.85 6.41 < 0 9 -3 81.97 107.90 9.97 o 1 9 -3 175.33 194.93 5.92 o 0 0 -4 323.05 316.06 6.34 o 2 0 -4 418.43 413.85 7.54 o 4 0 4 192.23 199.39 7.14 o 4 0 -4 191.12 187.05 4.93 o 6 0 4 104.56 112.94 6.19 o 6 0 -4 104.94 104.19 4.34 o 8 0 4 189.04 204.07 7.40 o 8 0 -4 189.84 188.75 5.68 o 1 1 -4 267.92 263.31 3.61 o 2 1 -4 35.68 33.28 4.53 o 3 1 4 141.31 148.20 4.57 o 3 1 -4 141.38 137.45 3.95 o 4 1 4 286.00 298.97 5.23 o 4 1 -4 285.26 280.64 4.02 o 5 1 4 116.54 115.63 4.63 o 5 1 -4 116.14 111.14 3.37 o 6 1 4 22.13 27.87 5.17 o 6 1 -4 22.20 21.65 3.30 o 7 1 4 12.49 21.89 5.46 o 7 1 -4 12.56 13.90 3.51 o 8 1 4 40.34 39.86 4.94 o 8 1 -4 40.15 37.99 3.82 o 9 1 4 11.09 17.14 6.14 < 9 1 -4 11.13 14.55 4.25 o 0 2 -4 320.71 312.16 5.38 o 1 2 -4 78.17 75.73 3.59 o 2 2 -4 78.15 75.89 4.01 o 3 2 4 165.33 168.89 4.62 o 3 2 -4 165.61 163.75 4.39 o 4 2 4 382.29 378.68 5.13 o 4 2 -4 381.99 366.96 4.44 o 5 2 4 208.56 215.93 5.39 o 5 2 -4 208.55 201.43 4.10 o 6 2 4 7.03 10.09 4.73 < 6 2 -4 6.98 3.57 3.53 < 7 2 4 55.51 61.29 5.19 o 7 2 -4 55.37 56.14 3.63 o 8 2 4 50.67 51.57 5.07 o 8 2 -4 50.95 50.53 4.15 o 9 2 4 26.83 33.67 6.25 o 9 2 -4 26.61 34.00 4.15 o 1 3 -4 98.43 89.25 4.74 o 2 3 -4 340.45 329.75 4.34 o 3 3 4 89.42 89.12 5.38 o 3 3 -4 89.76 88.38 4.61 o 4 3 4 25.68 25.43 5.33 o 4 3 -4 25.82 25.01 4.19 o 5 3 4 239.66 230.62 5.14 o 5 3 -4 239.10 221.73 4.70 o 6 3 4 4.31 8.63 5.37 < 6 3 -4 4.28 3.32 3.80 < 7 3 4 136.94 143.49 5.61 o 7 3 -4 136.64 134.76 4.24 o 8 3 4 38.96 37.70 5.96 o 8 3 -4 39.14 34.83 4.15 o 0 4 -4 144.76 138.36 5.76 o 1 4 -4 222.01 212.36 4.25 o 2 4 -4 20.09 30.18 4.38 o 3 4 -4 40.52 37.18 6.81 o 4 4 4 15.11 18.60 5.96 o 4 4 -4 15.12 13.70 5.54 < 5 4 4 152.13 151.78 5.76 o 5 4 -4 152.29 150.37 5.70 o 6 4 4 238.91 267.48 6.22 o 6 4 -4 239.18 257.28 6.10 o 7 4 4 35.78 34.40 6.25 o 7 4 -4 35.60 39.54 4.40 o 8 4 4 36.05 28.21 6.29 o 8 4 -4 35.95 29.58 4.86 o 1 5 -4 197.07 185.02 4.83 o 2 5 -4 11.15 12.41 5.02 < 3 5 -4 73.93 81.68 4.80 o 4 5 -4 28.94 21.38 7.31 < 5 5 4 4.42 9.07 6.72 < 5 5 -4 4.36 4.07 6.54 < 6 5 4 32.87 45.46 6.27 o 6 5 -4 32.92 41.06 6.73 o 7 5 4 67.30 73.46 7.41 o 7 5 -4 67.29 68.94 5.13 o 0 6 -4 573.07 575.92 7.27 o 1 6 -4 72.28 70.32 4.46 o 2 6 -4 19.82 24.64 5.40 o 3 6 -4 13.33 16.89 4.63 o 4 6 -4 12.79 7.91 4.79 < 5 6 -4 7.53 14.90 8.51 < 6 6 4 24.09 25.98 7.39 o 6 6 -4 24.29 23.08 7.24 o 1 7 -4 191.23 202.14 5.09 o 2 7 -4 84.31 92.75 5.09 o 3 7 -4 7.67 10.54 5.13 < 4 7 -4 19.74 24.32 5.31 o 5 7 -4 73.94 71.37 6.96 o 0 8 -4 130.61 137.46 8.00 o 1 8 -4 23.72 23.78 6.18 o 2 8 -4 34.97 29.70 6.33 o 2 0 -5 1128.66 1133.99 6.50 o 4 0 5 7.81 17.06 7.47 < 4 0 -5 7.96 8.80 4.69 < 6 0 5 100.29 109.55 7.06 o 6 0 -5 100.34 104.59 4.84 o 8 0 5 3.85 4.75 9.86 < 8 0 -5 3.85 5.50 6.83 < 0 1 -5 546.18 536.07 5.58 o 1 1 -5 126.66 119.76 3.45 o 2 1 -5 21.79 21.81 3.51 o 3 1 -5 31.85 32.82 4.11 o 4 1 5 32.14 38.59 5.36 o 4 1 -5 32.07 31.30 3.78 o 5 1 5 108.79 115.88 5.73 o 5 1 -5 108.64 108.76 3.82 o 6 1 5 26.04 28.93 5.42 o 6 1 -5 25.94 25.20 4.13 o 7 1 5 75.93 80.57 5.90 o 7 1 -5 76.15 74.51 4.13 o 8 1 5 51.84 60.18 6.46 o 8 1 -5 52.16 60.85 4.51 o 1 2 -5 53.22 49.27 3.82 o 2 2 -5 89.59 89.51 3.47 o 3 2 -5 119.84 115.68 3.70 o 4 2 5 2.04 5.46 8.82 < 4 2 -5 2.00 4.09 4.07 < 5 2 5 4.48 3.40 5.15 < 5 2 -5 4.44 5.37 4.30 < 6 2 5 14.41 10.42 5.50 < 6 2 -5 14.27 15.15 4.03 o 7 2 5 24.71 25.96 6.04 o 7 2 -5 24.94 28.72 4.19 o 0 3 -5 24.24 27.73 5.96 o 1 3 -5 111.24 102.31 5.55 o 2 3 -5 74.57 68.47 4.44 o 3 3 -5 114.27 118.10 4.09 o 4 3 -5 26.89 24.18 5.02 o 5 3 5 7.43 6.89 5.85 < 5 3 -5 7.48 13.34 5.04 < 6 3 5 37.79 36.74 6.41 o 6 3 -5 37.76 41.10 4.42 o 7 3 5 56.81 66.04 6.33 o 7 3 -5 56.84 50.01 4.61 o 1 4 -5 138.21 131.51 4.57 o 2 4 -5 38.39 43.22 4.98 o 3 4 -5 5.51 8.22 3.36 < 4 4 -5 76.81 66.77 6.96 o 5 4 -5 102.80 106.62 6.88 o 6 4 5 4.35 7.30 7.22 < 6 4 -5 4.32 10.40 6.52 < 0 5 -5 28.88 26.82 8.09 o 1 5 -5 15.31 11.79 5.33 < 2 5 -5 3.63 2.86 5.31 < 3 5 -5 99.64 101.66 5.05 o 4 5 -5 25.70 34.16 5.69 o 5 5 -5 201.66 199.77 10.71 o 1 6 -5 29.06 25.51 5.11 o 2 6 -5 6.98 11.21 5.73 < 3 6 -5 19.37 27.73 5.96 o 4 6 -5 170.06 176.53 6.44 o 0 7 -5 90.78 91.26 8.06 o 1 7 -5 53.48 60.73 6.35 o 0 0 -6 721.83 744.92 9.71 o 2 0 -6 405.91 415.73 6.44 o 4 0 -6 6.71 5.58 4.98 < 6 0 6 132.59 138.90 10.28 o 6 0 -6 133.55 134.29 7.09 o 1 1 -6 87.56 88.87 4.22 o 2 1 -6 61.81 61.34 4.32 o 3 1 -6 35.98 33.86 3.80 o 4 1 -6 89.70 87.42 3.86 o 5 1 -6 18.57 19.13 4.61 o 6 1 6 101.31 105.31 8.37 o 6 1 -6 101.57 101.17 4.84 o 0 2 -6 34.88 32.67 5.79 o 1 2 -6 0.51 1.97 4.40 < 2 2 -6 54.47 48.21 4.03 o 3 2 -6 58.89 56.45 4.21 o 4 2 -6 80.82 77.50 3.97 o 5 2 -6 74.70 68.38 5.59 o 1 3 -6 0.17 -1.87 5.46 < 2 3 -6 14.44 17.47 5.75 o 3 3 -6 10.84 9.75 5.19 < 4 3 -6 18.13 23.31 4.86 o 5 3 -6 61.33 59.03 4.92 o 0 4 -6 174.35 175.01 7.50 o 1 4 -6 11.25 14.94 5.11 < 2 4 -6 8.34 14.48 5.93 < 3 4 -6 115.60 130.98 5.59 o 4 4 -6 111.39 112.90 7.04 o 1 5 -6 17.37 14.82 5.58 < 2 5 -6 0.57 2.01 5.69 < 2 0 -7 26.30 20.30 10.02 < 0 1 -7 96.20 87.73 7.12 o 1 1 -7 59.99 58.18 5.19 o