#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000119.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_3000119 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 8.4460(11) _cell_length_b 7.3749(17) _cell_length_c 5.175(2) _cell_measurement_temperature 223 _cell_volume 322.34(15) _diffrn_ambient_temperature 223 _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 0.0491 _diffrn_reflns_av_unetI/netI 0.0405 _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 1874 _diffrn_reflns_theta_full 29.14 _diffrn_reflns_theta_max 29.14 _diffrn_reflns_theta_min 3.67 _exptl_absorpt_coefficient_mu 0.229 _exptl_crystal_density_diffrn 2.4598 _exptl_crystal_F_000 232 _refine_diff_density_max 0.22 _refine_diff_density_min -0.23 _refine_ls_abs_structure_details ' 264 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 10500(500) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.34 _refine_ls_goodness_of_fit_ref 1.25 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 745 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0385 _refine_ls_R_factor_gt 0.0270 _refine_ls_shift/su_max 0.0038 _refine_ls_shift/su_mean 0.0008 _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 0.0255 _refine_ls_wR_factor_ref 0.0268 _reflns_number_gt 606 _reflns_number_total 745 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_223K.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 322.32(15) _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000119 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 0.4129(4) 0.5673(5) -0.0061(10) Uani 0.0167(12) 4 1 d . . . B1 B 0.5099(2) 0.8359(3) 0.3539(5) Uani 0.0086(7) 4 1 d . . . B2 B 0.6942(2) 0.0567(3) 0.5509(5) Uani 0.0068(7) 4 1 d . . . B3 B 0.6574(2) 0.7512(3) 0.7331(5) Uani 0.0077(6) 4 1 d . . . O1 O 0.58631(14) 0.9960(2) 0.3459(3) Uani 0.0088(4) 4 1 d . . . O2 O 0.38369(15) 0.7950(2) 0.1969(3) Uani 0.0083(4) 4 1 d . . . O3 O 0.55818(14) 0.7017(2) 0.5277(3) Uani 0.0091(4) 4 1 d . . . O4 O 0.73946(16) 0.90956(19) 0.7329(3) Uani 0.0075(4) 4 1 d . . . O5 O 0.66029(15) 0.6260(2) 0.9268(3) Uani 0.0084(4) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li1 Li 0.0215(18) 0.0087(18) 0.020(2) 0.0006(15) -0.0050(17) -0.0007(19) B1 B 0.0100(10) 0.0080(13) 0.0080(12) 0.0021(8) 0.0029(10) -0.0021(11) B2 B 0.0085(10) 0.0060(11) 0.0059(12) -0.0006(8) -0.0011(10) 0.0009(10) B3 B 0.0061(8) 0.0076(11) 0.0094(13) 0.0017(7) 0.0023(9) -0.0030(12) O1 O 0.0101(6) 0.0070(7) 0.0092(8) -0.0005(5) -0.0011(7) 0.0013(7) O2 O 0.0093(6) 0.0063(7) 0.0092(8) 0.0004(5) -0.0014(6) 0.0011(8) O3 O 0.0104(7) 0.0071(7) 0.0099(8) -0.0004(6) -0.0020(6) 0.0013(8) O4 O 0.0085(6) 0.0058(7) 0.0080(8) -0.0008(5) -0.0004(6) 0.0019(8) O5 O 0.0076(6) 0.0075(8) 0.0100(8) -0.0008(5) -0.0018(6) 0.0009(7) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source B 0.0013 0.0007 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Li -0.0003 0.0001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle B1 O1 B2 . . 1_565 122.86(19) B1 O2 B2 . . 2_664 118.91(17) B1 O3 B3 . . . 118.54(18) B2 O4 B3 1_565 . . 119.81(17) B2 O5 B3 4_655 . . 124.64(16) 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 . . 1.346(3) O1 B2 . 1_565 1.469(3) O2 B1 . . 1.374(3) O2 B2 . 2_664 1.483(3) O3 B1 . . 1.398(3) O3 B3 . . 1.402(3) O4 B2 . 1_565 1.487(3) O4 B3 . . 1.358(3) O5 B2 . 4_655 1.477(3) O5 B3 . . 1.363(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 2.85 5.57 5.37 < 4 0 0 427.49 451.97 5.52 o 6 0 0 136.05 127.85 4.85 o 8 0 0 0.14 -4.48 5.01 < 10 0 0 11.94 20.43 5.91 o 1 1 0 425.14 377.62 8.19 o 2 1 0 375.46 367.33 5.59 o 3 1 0 1.01 4.97 3.36 < 4 1 0 6.05 4.82 3.13 < 5 1 0 0.51 -1.05 3.22 < 6 1 0 358.74 357.04 3.74 o 7 1 0 134.97 121.98 3.52 o 8 1 0 323.62 328.46 3.90 o 9 1 0 218.64 234.98 4.46 o 10 1 0 55.57 56.86 4.96 o 11 1 0 24.48 24.27 5.24 o 0 2 0 135.75 129.52 9.67 o 1 2 0 271.28 250.82 6.71 o 2 2 0 424.23 397.70 6.79 o 3 2 0 858.61 854.76 5.60 o 4 2 0 118.13 119.23 3.87 o 5 2 0 672.78 665.23 4.84 o 6 2 0 273.86 281.22 4.27 o 7 2 0 239.33 238.76 4.30 o 8 2 0 36.45 38.16 4.23 o 9 2 0 31.51 36.90 4.32 o 10 2 0 96.83 104.80 5.12 o 11 2 0 1.22 0.09 5.31 < 1 3 0 389.61 407.85 6.40 o 2 3 0 4.74 5.27 4.88 < 3 3 0 105.33 108.99 4.02 o 4 3 0 103.49 103.59 4.11 o 5 3 0 26.10 29.48 3.81 o 6 3 0 126.02 122.54 4.09 o 7 3 0 255.01 256.25 4.42 o 8 3 0 11.55 11.20 4.33 < 9 3 0 299.67 293.68 5.04 o 10 3 0 108.13 110.50 5.31 o 11 3 0 1.90 11.17 7.12 < 0 4 0 39.28 35.68 7.38 o 1 4 0 625.96 633.61 9.38 o 2 4 0 431.91 434.86 5.95 o 3 4 0 437.01 428.56 5.77 o 4 4 0 366.19 367.85 4.60 o 5 4 0 205.50 200.16 4.55 o 6 4 0 151.44 150.43 4.15 o 7 4 0 273.29 267.21 4.57 o 8 4 0 59.39 61.53 4.55 o 9 4 0 26.06 29.53 4.92 o 10 4 0 28.31 36.08 5.52 o 1 5 0 308.54 323.93 5.95 o 2 5 0 112.38 104.96 5.20 o 3 5 0 223.59 218.42 5.95 o 4 5 0 11.75 16.87 4.13 o 5 5 0 230.68 211.52 4.53 o 6 5 0 13.87 14.67 4.39 o 7 5 0 128.62 126.21 4.83 o 8 5 0 0.00 -2.49 5.21 < 9 5 0 42.18 51.09 5.24 o 10 5 0 0.18 -6.11 6.13 < 0 6 0 6.34 15.85 7.58 < 1 6 0 52.58 54.87 5.55 o 2 6 0 650.93 608.32 9.60 o 3 6 0 42.09 49.84 5.62 o 4 6 0 17.16 21.28 4.45 o 5 6 0 140.27 135.04 4.82 o 6 6 0 1.30 2.08 4.91 < 7 6 0 16.90 18.09 4.97 o 8 6 0 1.15 3.56 5.14 < 9 6 0 1.14 9.90 6.00 < 1 7 0 81.05 86.49 5.92 o 2 7 0 146.21 154.20 6.18 o 3 7 0 430.58 395.29 9.70 o 4 7 0 281.76 247.70 5.16 o 5 7 0 82.47 79.53 4.93 o 6 7 0 19.03 21.32 5.12 o 7 7 0 85.69 86.49 5.82 o 8 7 0 6.96 3.15 6.00 < 0 8 0 3.78 9.00 8.83 < 1 8 0 9.50 7.93 6.28 < 2 8 0 19.59 24.06 6.53 o 3 8 0 298.73 288.30 7.12 o 4 8 0 86.19 105.36 6.98 o 5 8 0 4.93 9.77 5.87 < 6 8 0 46.65 47.78 6.03 o 7 8 0 7.82 9.81 6.17 < 1 9 0 0.38 -1.89 7.18 < 2 9 0 134.42 132.01 7.94 o 3 9 0 0.36 6.84 7.46 < 4 9 0 45.47 57.90 6.14 o 5 9 0 267.49 286.91 6.83 o 0 10 0 86.34 92.24 11.82 o 1 10 0 57.17 61.42 8.42 o 2 0 1 2355.78 2301.26 18.87 o 2 0 -1 2356.32 2568.58 13.56 o 4 0 1 2102.13 2159.94 12.96 o 4 0 -1 2103.78 2182.16 9.08 o 6 0 1 241.83 239.20 7.42 o 6 0 -1 241.80 248.71 5.08 o 8 0 1 228.65 227.23 7.72 o 8 0 -1 228.87 229.61 5.40 o 10 0 1 34.06 43.83 8.79 o 10 0 -1 33.91 38.95 6.05 o 0 1 -1 38.79 38.04 7.69 o 1 1 1 1149.64 1111.69 11.98 o 1 1 -1 1149.56 1164.81 10.25 o 2 1 1 1602.20 1615.66 9.16 o 2 1 -1 1602.63 1592.74 8.96 o 3 1 1 1131.62 1176.08 6.43 o 3 1 -1 1132.86 1178.16 5.51 o 4 1 1 489.65 507.14 4.64 o 4 1 -1 490.71 502.80 4.08 o 5 1 1 169.10 175.57 3.87 o 5 1 -1 168.95 164.08 3.60 o 6 1 1 85.36 83.85 3.96 o 6 1 -1 85.50 86.63 3.40 o 7 1 1 70.57 70.05 4.05 o 7 1 -1 70.21 72.67 3.50 o 8 1 1 72.09 69.30 4.27 o 8 1 -1 71.72 73.93 3.67 o 9 1 1 65.10 66.56 4.87 o 9 1 -1 64.96 65.37 3.80 o 10 1 1 232.50 225.38 5.97 o 10 1 -1 232.36 232.90 4.51 o 11 1 1 1.30 -1.16 6.86 < 11 1 -1 1.34 -3.79 5.57 < 1 2 1 658.22 667.04 8.00 o 1 2 -1 657.64 618.62 8.82 o 2 2 1 1712.34 1744.29 8.58 o 2 2 -1 1711.25 1573.80 10.38 o 3 2 1 149.76 162.51 4.20 o 3 2 -1 149.73 154.31 4.22 o 4 2 1 260.70 264.11 4.16 o 4 2 -1 260.96 275.64 3.74 o 5 2 1 23.23 23.74 3.78 o 5 2 -1 23.27 24.53 3.23 o 6 2 1 199.54 205.51 4.41 o 6 2 -1 199.85 200.44 3.56 o 7 2 1 252.03 249.70 4.52 o 7 2 -1 252.07 255.74 3.85 o 8 2 1 78.05 89.97 4.35 o 8 2 -1 77.63 77.73 3.75 o 9 2 1 1.10 7.31 4.59 < 9 2 -1 1.10 3.43 4.59 < 10 2 1 30.83 35.80 5.07 o 10 2 -1 30.83 30.15 5.09 o 11 2 1 36.63 40.00 7.14 o 11 2 -1 36.65 33.86 5.76 o 0 3 1 1580.10 1389.54 19.52 o 0 3 -1 1577.41 1681.50 12.07 o 1 3 1 157.51 171.80 6.22 o 1 3 -1 157.41 175.47 6.07 o 2 3 1 264.50 285.49 4.89 o 2 3 -1 264.36 267.92 5.88 o 3 3 1 440.98 458.99 4.93 o 3 3 -1 441.30 436.96 6.01 o 4 3 1 71.66 77.20 3.98 o 4 3 -1 71.66 76.12 4.77 o 5 3 1 332.64 320.66 4.50 o 5 3 -1 332.52 318.65 4.37 o 6 3 1 207.21 206.59 4.43 o 6 3 -1 206.90 212.03 4.22 o 7 3 1 247.91 247.69 4.38 o 7 3 -1 248.05 243.53 4.42 o 8 3 1 295.16 305.40 4.72 o 8 3 -1 295.54 285.17 4.69 o 9 3 1 111.31 104.36 5.15 o 9 3 -1 111.28 105.46 4.88 o 10 3 1 6.05 10.16 5.27 < 10 3 -1 6.03 12.41 5.25 < 1 4 1 523.78 492.33 11.46 o 1 4 -1 523.49 520.81 8.75 o 2 4 1 658.38 631.23 5.72 o 2 4 -1 657.52 619.72 6.82 o 3 4 1 30.97 29.78 4.38 o 3 4 -1 30.78 30.62 5.00 o 4 4 1 18.68 14.83 4.15 o 4 4 -1 18.73 23.94 5.07 o 5 4 1 313.91 322.92 4.60 o 5 4 -1 314.36 306.58 4.58 o 6 4 1 20.52 22.92 4.24 o 6 4 -1 20.52 24.25 4.07 o 7 4 1 67.08 62.72 4.74 o 7 4 -1 67.28 69.44 4.55 o 8 4 1 92.61 94.89 4.67 o 8 4 -1 92.43 87.33 4.67 o 9 4 1 106.28 103.85 5.33 o 9 4 -1 106.29 105.79 5.14 o 10 4 1 56.43 60.17 5.58 o 10 4 -1 56.32 55.07 5.60 o 0 5 1 53.68 57.74 9.42 o 0 5 -1 53.41 54.80 6.76 o 1 5 1 87.08 91.45 6.25 o 1 5 -1 87.04 96.38 4.68 o 2 5 1 15.41 13.63 5.12 < 2 5 -1 15.48 19.73 5.31 o 3 5 1 79.50 72.98 4.34 o 3 5 -1 79.69 75.90 5.60 o 4 5 1 84.75 82.33 4.66 o 4 5 -1 84.64 92.32 5.37 o 5 5 1 407.97 400.17 5.00 o 5 5 -1 407.75 384.86 4.98 o 6 5 1 20.97 19.56 4.43 o 6 5 -1 20.77 23.80 4.22 o 7 5 1 152.67 143.76 4.91 o 7 5 -1 152.57 146.69 4.69 o 8 5 1 26.16 20.46 5.11 o 8 5 -1 26.25 29.70 4.88 o 9 5 1 11.97 22.45 5.63 o 9 5 -1 11.97 15.63 5.61 < 1 6 1 305.16 303.51 7.37 o 1 6 -1 305.13 311.41 6.05 o 2 6 1 176.72 176.35 6.45 o 2 6 -1 177.30 173.91 5.16 o 3 6 1 92.70 89.67 4.73 o 3 6 -1 92.66 91.95 5.43 o 4 6 1 68.08 63.79 4.67 o 4 6 -1 67.83 79.44 5.87 o 5 6 1 77.39 79.98 4.82 o 5 6 -1 76.96 76.33 5.76 o 6 6 1 9.13 7.20 4.95 < 6 6 -1 9.15 5.95 4.71 < 7 6 1 9.41 14.18 5.05 < 7 6 -1 9.43 15.32 5.08 o 8 6 1 1.71 -2.76 5.53 < 8 6 -1 1.76 3.66 5.21 < 9 6 1 107.94 96.49 6.18 o 9 6 -1 107.94 112.35 5.88 o 0 7 1 553.11 525.40 11.91 o 0 7 -1 553.98 580.57 9.45 o 1 7 1 347.15 341.94 7.69 o 1 7 -1 347.48 338.77 6.28 o 2 7 1 87.27 82.38 6.82 o 2 7 -1 87.55 80.78 5.69 o 3 7 1 253.09 242.74 5.61 o 3 7 -1 252.78 247.43 9.20 o 4 7 1 0.10 3.73 5.10 < 4 7 -1 0.09 -3.34 5.85 < 5 7 1 34.58 35.87 5.41 o 5 7 -1 34.58 27.63 6.16 o 6 7 1 19.07 22.84 5.46 o 6 7 -1 19.25 19.29 5.20 o 7 7 1 68.95 79.26 5.92 o 7 7 -1 68.72 75.38 5.64 o 8 7 1 41.00 35.65 6.46 o 8 7 -1 40.71 40.76 6.40 o 1 8 1 63.60 68.09 7.81 o 1 8 -1 63.88 70.42 6.41 o 2 8 1 157.16 166.66 8.11 o 2 8 -1 157.76 159.56 6.27 o 3 8 1 34.25 39.61 6.18 o 3 8 -1 34.23 35.42 6.31 o 4 8 1 103.26 104.31 6.10 o 4 8 -1 103.19 102.84 6.20 o 5 8 1 76.10 73.49 5.89 o 5 8 -1 75.90 72.36 5.53 o 6 8 1 23.61 31.10 6.66 o 6 8 -1 23.50 23.22 5.82 o 0 9 1 35.72 39.87 12.92 o 0 9 -1 36.02 51.44 10.12 o 1 9 1 4.16 5.46 8.63 < 1 9 -1 4.20 11.70 7.20 < 2 9 1 3.67 9.96 7.43 < 2 9 -1 3.67 10.31 6.84 < 3 9 1 45.29 44.17 7.08 o 3 9 -1 45.07 46.55 7.16 o 4 9 1 179.55 185.87 7.56 o 4 9 -1 179.63 193.85 7.14 o 5 9 1 13.23 16.08 13.11 < 5 9 -1 13.27 23.80 7.73 o 0 0 -2 334.13 343.09 9.27 o 2 0 2 655.88 644.66 9.03 o 2 0 -2 657.02 584.78 9.09 o 4 0 2 17.56 20.53 6.44 o 4 0 -2 17.47 21.13 4.51 o 6 0 2 108.16 101.03 7.14 o 6 0 -2 108.66 107.19 4.93 o 8 0 2 588.13 563.12 8.81 o 8 0 -2 586.71 570.44 6.12 o 10 0 2 5.34 3.60 8.93 < 10 0 -2 5.18 3.38 6.26 < 1 1 2 774.43 777.69 8.23 o 1 1 -2 774.43 752.08 7.54 o 2 1 2 702.77 701.71 6.88 o 2 1 -2 703.59 737.63 6.18 o 3 1 2 403.45 418.27 5.49 o 3 1 -2 404.05 416.07 4.67 o 4 1 2 366.08 380.24 5.74 o 4 1 -2 366.32 386.01 4.00 o 5 1 2 248.86 247.03 5.20 o 5 1 -2 249.42 247.65 3.75 o 6 1 2 59.19 58.95 4.93 o 6 1 -2 59.15 59.79 3.41 o 7 1 2 44.52 38.22 4.64 o 7 1 -2 44.59 46.51 3.53 o 8 1 2 5.83 5.27 5.36 < 8 1 -2 5.91 7.39 3.71 < 9 1 2 20.23 23.89 5.80 o 9 1 -2 20.24 18.84 4.07 o 10 1 2 9.07 14.84 6.40 < 10 1 -2 8.99 13.71 4.48 o 11 1 -2 22.99 20.61 5.07 o 0 2 -2 676.93 765.65 8.92 o 1 2 2 787.10 835.61 9.98 o 1 2 -2 786.68 830.31 8.54 o 2 2 2 237.46 241.24 5.95 o 2 2 -2 237.70 243.44 5.14 o 3 2 2 334.80 347.08 5.80 o 3 2 -2 334.54 341.78 4.81 o 4 2 2 667.58 664.73 6.36 o 4 2 -2 667.47 661.83 5.28 o 5 2 2 174.01 182.34 5.11 o 5 2 -2 173.82 163.71 3.71 o 6 2 2 435.24 433.86 5.64 o 6 2 -2 435.44 435.68 4.05 o 7 2 2 43.02 41.73 5.53 o 7 2 -2 42.78 47.44 3.57 o 8 2 2 24.84 27.00 5.48 o 8 2 -2 24.80 27.30 3.98 o 9 2 2 23.68 26.30 5.89 o 9 2 -2 23.68 29.13 4.17 o 10 2 2 32.48 42.04 6.52 o 10 2 -2 32.22 36.97 4.77 o 1 3 -2 491.63 558.75 7.83 o 2 3 2 197.10 208.84 6.48 o 2 3 -2 196.99 206.27 6.48 o 3 3 2 403.79 413.64 5.34 o 3 3 -2 403.90 396.10 6.30 o 4 3 2 217.58 220.44 4.54 o 4 3 -2 217.74 218.12 5.51 o 5 3 2 313.79 315.96 4.81 o 5 3 -2 314.27 316.04 4.81 o 6 3 2 109.31 117.80 4.38 o 6 3 -2 109.36 108.34 3.72 o 7 3 2 12.91 19.29 4.48 o 7 3 -2 12.88 14.41 4.26 o 8 3 2 271.07 262.55 5.95 o 8 3 -2 270.66 263.65 5.10 o 9 3 2 9.71 10.09 6.10 < 9 3 -2 9.82 15.32 5.01 o 10 3 2 64.37 65.83 7.39 o 10 3 -2 64.42 67.52 5.89 o 0 4 -2 152.40 150.26 6.67 o 1 4 -2 236.60 234.49 5.00 o 2 4 2 16.91 18.89 5.56 o 2 4 -2 16.88 19.41 6.48 < 3 4 2 380.59 379.78 5.48 o 3 4 -2 380.73 364.11 6.58 o 4 4 2 488.15 469.95 5.20 o 4 4 -2 487.78 451.53 6.54 o 5 4 2 54.00 52.49 4.48 o 5 4 -2 53.98 44.91 5.47 o 6 4 2 433.93 418.68 5.21 o 6 4 -2 433.77 417.29 4.96 o 7 4 2 98.03 104.30 4.77 o 7 4 -2 98.26 99.81 4.56 o 8 4 2 9.90 6.41 5.27 < 8 4 -2 9.89 17.41 4.80 o 9 4 2 48.96 56.75 5.22 o 9 4 -2 49.23 55.40 5.30 o 10 4 2 22.03 20.76 7.19 < 10 4 -2 21.78 16.72 6.17 < 1 5 2 426.34 464.07 21.47 o 1 5 -2 425.94 421.22 5.45 o 2 5 2 247.66 251.30 9.01 o 2 5 -2 247.38 253.03 7.21 o 3 5 2 24.66 23.47 5.31 o 3 5 -2 24.59 24.71 6.22 o 4 5 2 105.82 110.10 5.02 o 4 5 -2 105.47 104.06 5.81 o 5 5 2 119.32 147.80 5.21 o 5 5 -2 119.60 111.08 5.72 o 6 5 2 3.69 4.65 4.84 < 6 5 -2 3.68 4.24 4.61 < 7 5 2 34.31 35.25 4.71 o 7 5 -2 34.30 32.40 4.69 o 8 5 2 68.59 80.63 5.70 o 8 5 -2 68.60 65.17 5.44 o 9 5 2 25.67 32.55 5.87 o 9 5 -2 25.69 31.29 5.63 o 0 6 -2 345.94 327.47 7.53 o 1 6 2 257.78 248.78 9.93 o 1 6 -2 258.16 257.38 5.34 o 2 6 2 159.29 172.11 7.25 o 2 6 -2 159.12 164.20 5.55 o 3 6 2 42.61 45.80 7.97 o 3 6 -2 42.38 45.88 6.15 o 4 6 2 39.75 27.64 5.20 o 4 6 -2 40.03 44.93 6.09 o 5 6 2 128.26 131.51 5.51 o 5 6 -2 128.37 121.32 6.44 o 6 6 2 0.47 -2.01 5.21 < 6 6 -2 0.50 1.50 4.93 < 7 6 2 85.60 101.67 5.72 o 7 6 -2 85.53 83.52 5.35 o 8 6 2 21.50 27.42 6.06 o 8 6 -2 21.60 26.27 5.78 o 1 7 2 130.17 130.96 9.40 o 1 7 -2 130.32 127.56 5.78 o 2 7 2 23.63 23.35 7.68 o 2 7 -2 23.72 24.78 5.31 o 3 7 2 11.88 15.89 6.88 < 3 7 -2 11.89 14.74 5.89 < 4 7 2 9.14 10.43 8.08 < 4 7 -2 9.12 7.84 6.88 < 5 7 2 87.80 95.18 6.01 o 5 7 -2 87.15 88.23 6.44 o 6 7 2 0.98 3.56 6.22 < 6 7 -2 0.99 7.74 5.62 < 7 7 2 31.59 28.99 6.68 o 7 7 -2 31.54 26.30 6.08 o 0 8 2 325.48 319.02 16.23 o 0 8 -2 327.18 327.26 8.71 o 1 8 2 12.58 13.28 10.56 < 1 8 -2 12.63 18.83 5.68 o 2 8 2 11.82 10.09 8.97 < 2 8 -2 11.99 17.18 5.85 < 3 8 2 59.67 63.47 8.31 o 3 8 -2 59.63 64.79 6.58 o 4 8 2 73.50 79.56 7.90 o 4 8 -2 73.87 78.81 6.45 o 5 8 2 107.61 114.66 9.74 o 5 8 -2 107.71 111.59 9.80 o 6 8 2 13.24 16.06 7.52 < 6 8 -2 13.12 16.17 6.06 < 1 9 -2 34.12 45.33 7.55 o 2 9 2 52.43 52.41 12.37 o 2 9 -2 52.53 55.25 7.29 o 3 9 2 54.22 62.75 10.39 o 3 9 -2 53.82 66.87 6.97 o 4 9 2 30.81 30.04 9.56 o 4 9 -2 30.72 36.83 7.19 o 2 0 3 234.56 242.39 8.11 o 2 0 -3 234.36 237.02 8.36 o 4 0 3 35.30 40.81 7.59 o 4 0 -3 35.29 34.16 5.09 o 6 0 3 283.33 283.67 7.61 o 6 0 -3 282.89 266.36 5.34 o 8 0 3 53.84 55.35 9.14 o 8 0 -3 53.57 50.55 5.64 o 10 0 3 121.72 127.34 9.73 o 10 0 -3 122.07 116.05 6.94 o 0 1 -3 109.63 104.17 5.71 o 1 1 -3 548.77 544.12 6.62 o 2 1 3 191.58 197.56 5.65 o 2 1 -3 191.24 186.22 6.07 o 3 1 3 439.65 439.85 5.97 o 3 1 -3 439.38 427.39 4.96 o 4 1 3 327.91 332.35 5.31 o 4 1 -3 328.23 326.13 4.58 o 5 1 3 154.49 156.66 5.04 o 5 1 -3 154.50 161.21 3.58 o 6 1 3 121.32 107.93 5.12 o 6 1 -3 120.71 123.11 3.78 o 7 1 3 134.86 133.46 5.80 o 7 1 -3 134.78 128.45 3.85 o 8 1 3 25.23 20.69 6.08 o 8 1 -3 25.32 23.63 4.15 o 9 1 3 77.67 85.39 6.21 o 9 1 -3 77.93 83.81 4.42 o 10 1 3 5.32 14.96 7.33 < 10 1 -3 5.37 1.82 5.01 < 1 2 -3 186.36 196.36 4.27 o 2 2 3 56.13 62.81 5.80 o 2 2 -3 56.48 53.54 4.90 o 3 2 3 234.46 236.28 5.86 o 3 2 -3 234.31 236.60 4.85 o 4 2 3 392.13 389.79 5.94 o 4 2 -3 391.41 391.55 4.94 o 5 2 3 282.81 286.35 5.75 o 5 2 -3 283.25 284.79 4.87 o 6 2 3 104.61 107.82 5.19 o 6 2 -3 104.62 102.61 3.81 o 7 2 3 7.93 6.08 5.33 < 7 2 -3 7.88 12.62 3.92 o 8 2 3 37.83 43.22 5.75 o 8 2 -3 37.68 37.98 4.09 o 9 2 3 25.94 24.18 6.33 o 9 2 -3 25.81 20.63 4.64 o 10 2 3 55.61 45.45 7.12 o 10 2 -3 55.78 55.71 5.22 o 0 3 -3 805.00 821.88 8.43 o 1 3 -3 244.47 249.69 4.97 o 2 3 3 39.27 31.24 6.58 o 2 3 -3 39.26 32.10 5.83 o 3 3 3 14.55 15.43 5.71 < 3 3 -3 14.52 14.45 4.82 < 4 3 3 230.84 227.77 6.04 o 4 3 -3 230.90 222.49 5.10 o 5 3 3 19.87 29.09 5.78 o 5 3 -3 19.85 16.22 4.71 o 6 3 3 352.58 349.46 6.22 o 6 3 -3 352.85 351.38 4.38 o 7 3 3 50.42 50.40 5.60 o 7 3 -3 50.47 50.96 4.27 o 8 3 3 14.98 17.62 5.89 < 8 3 -3 14.85 17.79 4.39 o 9 3 3 51.54 53.22 7.12 o 9 3 -3 51.64 48.88 5.39 o 1 4 -3 63.09 68.99 4.69 o 2 4 -3 350.32 349.67 7.36 o 3 4 3 372.28 369.21 7.47 o 3 4 -3 372.23 354.13 6.92 o 4 4 3 106.93 108.93 6.30 o 4 4 -3 107.16 103.88 6.02 o 5 4 3 6.48 9.66 5.95 < 5 4 -3 6.55 4.39 6.00 < 6 4 3 127.78 131.57 6.10 o 6 4 -3 127.78 123.28 5.06 o 7 4 3 10.10 6.43 6.26 < 7 4 -3 10.26 14.26 5.01 < 8 4 3 134.27 140.33 6.41 o 8 4 -3 134.57 141.79 5.26 o 9 4 3 74.21 74.21 6.96 o 9 4 -3 74.10 77.89 6.02 o 0 5 -3 269.00 274.56 7.55 o 1 5 -3 154.89 153.80 5.02 o 2 5 -3 214.53 211.48 5.13 o 3 5 3 730.09 640.95 18.76 o 3 5 -3 729.85 654.03 9.84 o 4 5 3 46.83 45.38 6.88 o 4 5 -3 46.95 45.56 6.02 o 5 5 3 6.11 10.30 6.26 < 5 5 -3 6.11 6.09 6.23 < 6 5 3 88.54 82.54 6.78 o 6 5 -3 88.52 80.82 6.84 o 7 5 3 4.37 9.86 7.16 < 7 5 -3 4.41 6.08 5.33 < 8 5 3 49.51 40.98 7.38 o 8 5 -3 49.47 52.80 5.82 o 1 6 -3 8.84 9.92 5.10 < 2 6 -3 74.29 79.86 5.21 o 3 6 -3 75.34 73.06 5.40 o 4 6 3 64.21 50.71 8.11 o 4 6 -3 64.22 56.45 7.19 o 5 6 3 42.98 42.37 7.31 o 5 6 -3 42.90 41.80 7.50 o 6 6 3 0.42 2.62 7.63 < 6 6 -3 0.44 6.00 7.03 < 7 6 3 112.08 129.52 7.33 o 7 6 -3 112.02 111.35 5.82 o 0 7 -3 24.00 23.43 7.79 o 1 7 -3 12.95 16.43 5.53 < 2 7 -3 16.93 16.66 5.57 < 3 7 -3 17.03 21.37 5.82 o 4 7 -3 18.53 8.63 6.10 < 5 7 3 62.34 64.79 15.42 o 5 7 -3 62.34 57.37 8.29 o 6 7 3 62.98 62.29 8.59 o 6 7 -3 63.20 61.26 8.39 o 1 8 -3 26.66 31.05 6.14 o 2 8 -3 102.83 119.36 6.84 o 3 8 -3 0.81 1.57 7.03 < 4 8 -3 22.90 30.61 6.72 o 5 8 3 2.00 0.32 24.20 < 5 8 -3 1.96 6.71 7.18 < 0 9 -3 86.12 89.30 10.13 o 1 9 -3 159.71 170.17 7.87 o 0 0 -4 299.08 291.73 7.40 o 2 0 -4 392.43 389.15 8.85 o 4 0 4 178.10 182.13 7.49 o 4 0 -4 177.05 168.11 5.57 o 6 0 4 91.98 89.20 8.69 o 6 0 -4 92.32 86.01 5.95 o 8 0 4 167.57 174.54 9.05 o 8 0 -4 168.26 168.63 6.46 o 1 1 -4 247.09 242.13 4.30 o 2 1 -4 34.11 34.58 5.68 o 3 1 4 136.77 140.12 5.43 o 3 1 -4 136.82 136.43 4.60 o 4 1 4 275.52 276.88 5.76 o 4 1 -4 274.80 266.97 5.03 o 5 1 4 113.13 122.23 5.64 o 5 1 -4 112.73 106.09 3.89 o 6 1 4 20.54 13.63 5.31 < 6 1 -4 20.60 21.26 3.94 o 7 1 4 6.89 8.80 5.64 < 7 1 -4 6.95 9.88 4.22 < 8 1 4 35.66 41.33 6.67 o 8 1 -4 35.48 28.21 4.54 o 9 1 4 11.59 14.14 7.35 < 9 1 -4 11.64 12.29 5.06 < 0 2 -4 309.81 310.43 6.82 o 1 2 -4 77.64 73.04 4.45 o 2 2 -4 71.44 76.52 5.24 o 3 2 4 163.95 173.21 5.87 o 3 2 -4 164.22 158.24 5.04 o 4 2 4 360.64 372.45 6.42 o 4 2 -4 360.36 338.84 5.29 o 5 2 4 182.93 184.69 6.14 o 5 2 -4 182.95 181.47 5.19 o 6 2 4 4.22 8.55 5.81 < 6 2 -4 4.18 5.68 4.16 < 7 2 4 49.38 46.40 6.71 o 7 2 -4 49.25 49.71 4.34 o 8 2 4 45.26 44.94 6.26 o 8 2 -4 45.52 47.18 4.72 o 9 2 4 22.15 22.56 7.47 o 9 2 -4 21.97 24.66 5.16 o 1 3 -4 97.09 92.28 5.26 o 2 3 -4 317.39 308.14 5.11 o 3 3 4 88.05 90.17 6.92 o 3 3 -4 88.38 87.44 5.62 o 4 3 4 25.50 25.68 5.95 o 4 3 -4 25.64 20.24 5.31 o 5 3 4 216.06 214.26 6.45 o 5 3 -4 215.51 206.08 5.42 o 6 3 4 5.30 6.28 6.41 < 6 3 -4 5.27 11.66 4.63 < 7 3 4 118.31 121.60 6.71 o 7 3 -4 118.04 118.28 4.79 o 8 3 4 38.72 27.63 7.08 o 8 3 -4 38.89 42.43 4.90 o 0 4 -4 143.11 134.14 7.13 o 1 4 -4 209.84 203.49 5.22 o 2 4 -4 19.01 24.76 4.99 o 3 4 -4 33.46 38.54 8.64 o 4 4 4 14.35 19.72 7.24 < 4 4 -4 14.36 19.98 7.05 < 5 4 4 132.27 131.13 6.55 o 5 4 -4 132.40 131.53 6.85 o 6 4 4 226.09 235.11 7.18 o 6 4 -4 226.34 235.07 7.39 o 7 4 4 29.41 27.63 7.30 o 7 4 -4 29.25 28.40 5.84 o 8 4 4 34.65 31.19 7.45 o 8 4 -4 34.56 28.97 5.73 o 1 5 -4 182.97 185.93 5.40 o 2 5 -4 9.84 9.60 5.18 < 3 5 -4 63.87 66.38 5.51 o 4 5 -4 29.68 23.69 9.71 < 5 5 4 3.66 7.65 7.97 < 5 5 -4 3.61 8.98 8.08 < 6 5 4 27.59 48.77 7.79 o 6 5 -4 27.63 37.07 7.87 o 7 5 4 64.69 68.27 8.46 o 7 5 -4 64.70 66.51 6.22 o 0 6 -4 503.27 508.90 8.71 o 1 6 -4 70.66 91.31 5.68 o 2 6 -4 18.20 15.67 5.67 < 3 6 -4 11.42 15.42 5.80 < 4 6 -4 12.61 13.39 6.08 < 5 6 -4 7.18 11.63 10.78 < 6 6 4 18.88 11.82 9.34 < 6 6 -4 19.06 22.50 8.84 < 1 7 -4 177.17 169.11 6.31 o 2 7 -4 78.72 88.78 6.36 o 3 7 -4 5.83 18.08 6.45 < 4 7 -4 20.33 29.54 6.72 o 5 7 -4 64.47 65.52 7.18 o 0 8 -4 113.72 131.40 9.82 o 1 8 -4 24.23 26.65 6.81 o 2 8 -4 35.27 26.29 7.00 o 2 0 -5 1054.94 1007.15 7.36 o 4 0 5 9.64 12.12 8.68 < 4 0 -5 9.77 10.80 6.30 < 6 0 5 94.05 92.41 9.81 o 6 0 -5 94.07 94.50 6.65 o 8 0 5 5.48 8.53 9.84 < 8 0 -5 5.49 11.59 7.07 < 0 1 -5 510.58 511.33 6.74 o 1 1 -5 122.63 119.18 4.17 o 2 1 -5 21.75 26.07 3.96 o 3 1 -5 24.52 25.83 5.28 o 4 1 5 27.79 25.93 5.91 o 4 1 -5 27.72 26.66 5.03 o 5 1 5 95.77 102.86 6.27 o 5 1 -5 95.67 97.15 4.67 o 6 1 5 23.82 19.61 6.04 o 6 1 -5 23.72 25.83 4.65 o 7 1 5 65.80 61.49 7.07 o 7 1 -5 66.02 68.81 5.06 o 8 1 5 49.44 44.45 7.68 o 8 1 -5 49.72 53.29 5.30 o 1 2 -5 49.53 43.97 4.66 o 2 2 -5 80.92 91.11 4.33 o 3 2 -5 110.59 103.92 4.34 o 4 2 -5 1.87 3.30 5.51 < 5 2 5 3.77 1.44 6.66 < 5 2 -5 3.74 7.28 5.78 < 6 2 5 13.06 8.70 7.18 < 6 2 -5 12.93 19.62 5.12 o 7 2 5 18.92 21.67 7.17 o 7 2 -5 19.13 23.00 5.12 o 0 3 -5 25.92 23.07 7.40 o 1 3 -5 103.41 93.27 7.43 o 2 3 -5 63.41 63.54 5.40 o 3 3 -5 98.95 104.23 5.01 o 4 3 -5 26.65 27.90 6.19 o 5 3 5 7.08 3.81 6.98 < 5 3 -5 7.13 4.22 6.04 < 6 3 5 36.97 38.89 7.49 o 6 3 -5 36.95 37.13 5.33 o 7 3 5 52.14 53.37 7.40 o 7 3 -5 52.15 43.78 5.39 o 1 4 -5 128.11 153.09 5.74 o 2 4 -5 35.73 47.25 5.56 o 3 4 -5 5.09 1.59 5.72 < 4 4 -5 63.99 62.75 8.41 o 5 4 -5 89.29 96.90 8.58 o 6 4 5 5.11 10.95 8.23 < 6 4 -5 5.08 11.87 8.49 < 0 5 -5 26.73 31.52 8.17 o 1 5 -5 16.82 9.66 5.78 < 2 5 -5 2.59 7.82 5.94 < 3 5 -5 87.90 92.72 5.72 o 4 5 -5 20.89 16.48 6.44 < 5 5 -5 183.42 189.76 10.11 o 1 6 -5 25.57 20.85 6.38 o 2 6 -5 3.54 1.67 6.47 < 3 6 -5 16.69 25.91 6.68 o 4 6 -5 150.44 151.13 7.17 o 0 7 -5 88.57 94.58 9.92 o 1 7 -5 46.71 42.40 6.99 o 0 0 -6 657.10 654.69 11.04 o 2 0 -6 373.04 376.68 7.58 o 4 0 -6 6.36 8.08 5.70 < 6 0 6 115.93 118.91 11.87 o 6 0 -6 116.82 107.14 7.93 o 1 1 -6 79.56 79.93 5.01 o 2 1 -6 56.83 60.03 4.98 o 3 1 -6 33.35 31.10 4.51 o 4 1 -6 79.63 79.18 4.87 o 5 1 -6 20.08 16.46 5.37 o 6 1 -6 87.45 84.21 5.80 o 0 2 -6 32.22 27.23 7.42 o 1 2 -6 0.60 5.83 5.51 < 2 2 -6 51.58 46.70 4.94 o 3 2 -6 46.91 51.46 5.09 o 4 2 -6 71.41 75.60 5.21 o 5 2 -6 71.15 60.07 6.90 o 1 3 -6 0.45 12.97 6.56 < 2 3 -6 13.99 21.61 7.26 < 3 3 -6 8.99 7.03 6.23 < 4 3 -6 14.87 13.98 5.80 < 5 3 -6 52.75 53.12 5.79 o 0 4 -6 146.04 154.05 9.27 o 1 4 -6 7.52 18.04 6.47 < 2 4 -6 7.99 8.42 6.58 < 3 4 -6 104.18 117.46 6.99 o 4 4 -6 95.80 97.98 7.32 o 1 5 -6 15.66 15.27 6.96 < 2 5 -6 0.37 8.16 9.82 < 0 1 -7 92.38 85.77 8.89 o 1 1 -7 54.87 50.78 6.28 o