#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000122.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_3000122 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 8.5109(11) _cell_length_b 7.4112(17) _cell_length_c 5.173(2) _cell_measurement_temperature 298 _cell_volume 326.29(15) _diffrn_ambient_temperature 298 _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 0.0643 _diffrn_reflns_av_unetI/netI 0.0493 _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 1903 _diffrn_reflns_theta_full 29.16 _diffrn_reflns_theta_max 29.16 _diffrn_reflns_theta_min 3.65 _exptl_absorpt_coefficient_mu 0.226 _exptl_crystal_density_diffrn 2.43 _exptl_crystal_F_000 232 _refine_diff_density_max 0.19 _refine_diff_density_min -0.19 _refine_ls_abs_structure_details ' 266 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 17100(700) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.63 _refine_ls_goodness_of_fit_ref 1.46 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 755 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0462 _refine_ls_R_factor_gt 0.0321 _refine_ls_shift/su_max 0.0063 _refine_ls_shift/su_mean 0.0013 _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 0.0330 _refine_ls_wR_factor_ref 0.0340 _reflns_number_gt 586 _reflns_number_total 755 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_298K.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 326.27(16) _cod_original_sg_symbol_Hall 'P -2xabc;-2yab;2zc' _cod_original_formula_sum 'B3 Li1 O5' _cod_database_code 3000122 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 0.4114(6) 0.5668(8) -0.0046(14) Uani 0.0225(17) 4 1 d . . . B1 B 0.5099(3) 0.8363(4) 0.3532(7) Uani 0.0091(9) 4 1 d . . . B2 B 0.6935(3) 0.0565(4) 0.5502(7) Uani 0.0065(9) 4 1 d . . . B3 B 0.6574(3) 0.7507(4) 0.7346(7) Uani 0.0082(8) 4 1 d . . . O1 O 0.58655(18) 0.9956(3) 0.3447(4) Uani 0.0094(5) 4 1 d . . . O2 O 0.38380(19) 0.7951(3) 0.1966(4) Uani 0.0092(6) 4 1 d . . . O3 O 0.55813(19) 0.7021(3) 0.5284(4) Uani 0.0108(6) 4 1 d . . . O4 O 0.7387(2) 0.9096(2) 0.7337(4) Uani 0.0081(5) 4 1 d . . . O5 O 0.6611(2) 0.6252(3) 0.9266(4) Uani 0.0088(6) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li1 Li 0.027(3) 0.011(3) 0.029(4) 0.000(2) -0.010(3) 0.001(3) B1 B 0.0096(13) 0.0083(17) 0.0094(16) 0.0038(11) 0.0036(13) -0.0007(15) B2 B 0.0091(14) 0.0056(15) 0.0046(16) 0.0003(11) 0.0000(13) 0.0009(14) B3 B 0.0070(11) 0.0055(14) 0.0121(18) 0.0024(9) 0.0024(13) -0.0048(17) O1 O 0.0120(8) 0.0070(10) 0.0094(10) -0.0019(7) -0.0032(9) 0.0025(9) O2 O 0.0098(8) 0.0067(9) 0.0110(12) -0.0002(7) -0.0019(9) 0.0000(11) O3 O 0.0116(9) 0.0080(9) 0.0128(12) -0.0005(8) -0.0034(9) 0.0007(11) O4 O 0.0101(8) 0.0057(9) 0.0084(10) -0.0018(7) -0.0011(8) 0.0027(11) O5 O 0.0067(8) 0.0091(10) 0.0106(10) -0.0009(7) -0.0023(7) 0.0018(9) 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_565 123.0(2) B1 O2 B2 . . 2_664 118.7(2) B1 O3 B3 . . . 118.9(2) B2 O4 B3 1_565 . . 120.0(2) B2 O5 B3 4_655 . . 124.6(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance O1 B1 . . 1.349(4) O1 B2 . 1_565 1.471(4) O2 B1 . . 1.379(4) O2 B2 . 2_664 1.489(4) O3 B1 . . 1.407(4) O3 B3 . . 1.408(4) O4 B2 . 1_565 1.495(4) O4 B3 . . 1.365(3) O5 B2 . 4_655 1.483(3) O5 B3 . . 1.361(4) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 3.98 5.60 6.49 < 4 0 0 438.19 483.51 6.70 o 6 0 0 113.50 111.29 5.37 o 8 0 0 0.05 -0.27 5.48 < 10 0 0 9.54 9.95 7.11 < 1 1 0 440.30 387.72 10.21 o 2 1 0 379.14 393.32 6.92 o 3 1 0 0.85 0.56 4.08 < 4 1 0 7.61 11.45 3.74 o 5 1 0 0.60 1.57 3.49 < 6 1 0 376.44 386.80 4.38 o 7 1 0 139.11 132.68 4.28 o 8 1 0 317.74 315.17 4.66 o 9 1 0 222.30 229.49 5.00 o 10 1 0 57.15 57.77 4.83 o 11 1 0 21.93 26.52 5.76 o 0 2 0 129.95 138.12 11.82 o 1 2 0 269.02 248.76 7.81 o 2 2 0 435.43 395.76 7.83 o 3 2 0 840.14 863.56 6.81 o 4 2 0 109.94 122.01 4.69 o 5 2 0 667.48 649.62 5.71 o 6 2 0 252.76 262.75 5.08 o 7 2 0 246.40 260.04 4.33 o 8 2 0 36.24 38.85 4.54 o 9 2 0 33.18 43.42 5.13 o 10 2 0 90.88 97.33 6.06 o 11 2 0 3.69 4.01 6.73 < 1 3 0 381.06 381.90 7.21 o 2 3 0 6.47 7.41 5.95 < 3 3 0 108.62 111.42 4.71 o 4 3 0 107.19 112.69 4.73 o 5 3 0 23.42 21.70 4.59 o 6 3 0 111.72 114.36 4.89 o 7 3 0 251.99 252.04 5.24 o 8 3 0 14.39 18.17 4.60 o 9 3 0 303.89 294.86 5.65 o 10 3 0 103.10 105.75 5.17 o 11 3 0 2.11 1.21 6.94 < 0 4 0 44.47 37.23 9.15 o 1 4 0 627.40 613.87 11.58 o 2 4 0 444.09 428.76 6.60 o 3 4 0 437.61 417.51 7.02 o 4 4 0 377.71 373.50 5.27 o 5 4 0 197.76 196.55 5.04 o 6 4 0 155.68 153.08 5.06 o 7 4 0 279.76 264.53 5.43 o 8 4 0 54.98 52.81 5.14 o 9 4 0 26.89 33.31 5.87 o 10 4 0 25.86 32.23 6.55 o 1 5 0 303.51 316.10 7.33 o 2 5 0 95.76 84.22 6.89 o 3 5 0 227.69 224.85 6.74 o 4 5 0 11.00 18.22 4.80 o 5 5 0 226.20 205.09 5.16 o 6 5 0 14.98 15.98 5.31 o 7 5 0 135.18 134.08 5.48 o 8 5 0 0.22 -3.07 5.40 < 9 5 0 37.87 41.42 6.36 o 10 5 0 0.55 2.24 6.97 < 0 6 0 9.34 4.78 9.61 < 1 6 0 54.07 50.39 6.52 o 2 6 0 661.05 628.46 7.36 o 3 6 0 45.02 45.66 6.53 o 4 6 0 15.42 14.51 5.24 < 5 6 0 140.62 141.36 5.59 o 6 6 0 2.22 1.05 5.63 < 7 6 0 14.58 11.89 5.73 < 8 6 0 0.53 5.73 6.23 < 9 6 0 0.34 -0.29 6.82 < 1 7 0 83.90 89.27 6.24 o 2 7 0 156.28 170.22 7.56 o 3 7 0 419.00 372.31 10.10 o 4 7 0 286.81 262.79 6.32 o 5 7 0 84.22 77.96 5.94 o 6 7 0 14.91 16.21 6.20 < 7 7 0 68.24 74.02 6.76 o 8 7 0 11.71 12.33 6.86 < 0 8 0 2.32 -0.71 10.92 < 1 8 0 7.56 3.81 7.78 < 2 8 0 17.25 22.75 7.96 < 3 8 0 312.22 301.24 8.13 o 4 8 0 82.87 86.41 6.34 o 5 8 0 4.87 11.79 6.52 < 6 8 0 42.35 49.12 7.34 o 7 8 0 6.46 5.06 7.07 < 1 9 0 0.80 4.75 8.12 < 2 9 0 136.46 131.70 9.02 o 3 9 0 0.08 2.20 9.14 < 4 9 0 40.79 56.72 7.09 o 5 9 0 267.04 289.33 7.85 o 0 10 0 79.41 86.92 14.24 o 1 10 0 52.40 52.21 10.06 o 2 10 0 15.53 17.76 14.58 < 2 0 1 2362.64 2099.11 23.35 o 2 0 -1 2363.18 2821.83 17.68 o 4 0 1 2124.85 2064.18 15.51 o 4 0 -1 2126.53 2266.28 11.15 o 6 0 1 220.00 231.37 5.12 o 6 0 -1 220.01 215.09 5.10 o 8 0 1 216.49 223.43 7.72 o 8 0 -1 216.71 211.14 6.49 o 10 0 1 30.26 37.06 10.24 o 10 0 -1 30.16 32.91 7.24 o 0 1 -1 37.82 34.19 9.97 o 1 1 1 1139.53 1071.83 14.17 o 1 1 -1 1139.46 1243.93 12.42 o 2 1 1 1615.08 1697.34 11.02 o 2 1 -1 1615.51 1695.34 10.96 o 3 1 1 1130.21 1186.46 7.75 o 3 1 -1 1131.40 1232.66 6.39 o 4 1 1 491.79 494.54 5.58 o 4 1 -1 492.85 513.34 4.81 o 5 1 1 169.61 156.60 4.81 o 5 1 -1 169.47 173.49 3.99 o 6 1 1 91.07 94.05 4.77 o 6 1 -1 91.21 89.78 4.11 o 7 1 1 74.61 79.26 4.02 o 7 1 -1 74.24 72.57 4.07 o 8 1 1 76.25 74.89 4.53 o 8 1 -1 75.88 75.58 3.84 o 9 1 1 60.50 54.71 5.47 o 9 1 -1 60.35 59.54 4.31 o 10 1 1 228.18 218.42 6.98 o 10 1 -1 228.04 230.68 5.36 o 11 1 1 1.10 -7.64 8.12 < 11 1 -1 1.14 3.56 6.32 < 1 2 1 660.82 717.96 9.23 o 1 2 -1 660.24 567.34 10.14 o 2 2 1 1705.83 1808.42 10.67 o 2 2 -1 1704.71 1472.07 12.00 o 3 2 1 151.19 171.09 4.84 o 3 2 -1 151.15 160.78 5.07 o 4 2 1 274.76 287.73 5.03 o 4 2 -1 275.04 290.45 4.33 o 5 2 1 26.68 35.81 4.62 o 5 2 -1 26.74 33.54 3.94 o 6 2 1 202.31 208.96 4.96 o 6 2 -1 202.60 210.38 4.12 o 7 2 1 259.50 258.22 5.19 o 7 2 -1 259.53 252.01 4.33 o 8 2 1 68.96 69.27 5.19 o 8 2 -1 68.58 71.31 4.28 o 9 2 1 1.73 4.94 5.17 < 9 2 -1 1.74 -1.34 5.48 < 10 2 1 28.57 32.49 5.74 o 10 2 -1 28.57 29.34 5.76 o 11 2 1 38.93 43.11 7.63 o 11 2 -1 38.96 47.28 6.49 o 0 3 1 1576.96 1252.85 22.85 o 0 3 -1 1574.28 1763.03 15.15 o 1 3 1 160.79 195.09 7.19 o 1 3 -1 160.69 190.95 7.13 o 2 3 1 269.10 295.13 5.97 o 2 3 -1 268.93 266.31 7.18 o 3 3 1 442.26 472.97 5.60 o 3 3 -1 442.58 410.59 7.11 o 4 3 1 74.37 82.78 4.86 o 4 3 -1 74.37 80.24 5.71 o 5 3 1 321.80 313.37 5.21 o 5 3 -1 321.68 305.76 5.19 o 6 3 1 202.82 206.58 4.80 o 6 3 -1 202.52 205.18 5.09 o 7 3 1 255.11 245.39 5.30 o 7 3 -1 255.26 250.36 5.28 o 8 3 1 279.32 275.97 5.63 o 8 3 -1 279.65 281.83 5.63 o 9 3 1 106.12 110.38 5.82 o 9 3 -1 106.10 109.22 5.78 o 10 3 1 6.24 10.91 5.94 < 10 3 -1 6.20 5.37 5.92 < 11 3 1 4.87 16.65 8.66 < 11 3 -1 4.90 5.00 6.69 < 1 4 1 522.41 451.86 12.59 o 1 4 -1 522.10 549.99 9.82 o 2 4 1 652.11 661.65 6.60 o 2 4 -1 651.24 593.34 7.74 o 3 4 1 27.94 31.49 4.87 o 3 4 -1 27.76 28.73 6.08 o 4 4 1 16.55 18.89 5.15 o 4 4 -1 16.59 12.25 5.78 < 5 4 1 308.32 312.47 5.29 o 5 4 -1 308.73 309.03 5.22 o 6 4 1 19.04 15.36 4.91 o 6 4 -1 19.04 18.68 4.32 o 7 4 1 60.45 63.36 5.20 o 7 4 -1 60.66 63.03 4.85 o 8 4 1 94.17 95.48 5.27 o 8 4 -1 93.98 85.30 5.56 o 9 4 1 105.98 111.25 6.08 o 9 4 -1 106.00 108.72 6.06 o 10 4 1 62.89 64.11 6.68 o 10 4 -1 62.78 51.21 6.25 o 0 5 1 56.33 63.08 10.66 o 0 5 -1 56.05 64.41 8.20 o 1 5 1 88.08 97.28 7.68 o 1 5 -1 88.05 97.26 5.85 o 2 5 1 13.13 15.01 6.28 < 2 5 -1 13.20 17.81 6.18 < 3 5 1 78.87 77.62 5.38 o 3 5 -1 79.04 81.69 6.40 o 4 5 1 83.37 85.98 5.20 o 4 5 -1 83.27 83.62 6.53 o 5 5 1 399.94 384.68 5.54 o 5 5 -1 399.79 380.13 5.74 o 6 5 1 22.48 18.99 5.13 o 6 5 -1 22.29 24.44 5.14 o 7 5 1 155.56 155.58 5.32 o 7 5 -1 155.47 137.51 5.28 o 8 5 1 24.14 32.50 5.87 o 8 5 -1 24.22 26.89 5.84 o 9 5 1 10.30 22.13 7.07 o 9 5 -1 10.29 18.16 6.38 < 10 5 1 89.12 91.35 12.61 o 1 6 1 308.40 297.26 8.52 o 1 6 -1 308.36 324.58 7.05 o 2 6 1 190.84 192.25 7.39 o 2 6 -1 191.44 193.40 6.39 o 3 6 1 89.52 95.45 5.55 o 3 6 -1 89.47 86.63 6.71 o 4 6 1 66.17 64.63 5.61 o 4 6 -1 65.92 68.92 6.75 o 5 6 1 84.54 80.26 5.58 o 5 6 -1 84.10 79.82 6.99 o 6 6 1 9.44 5.58 6.06 < 6 6 -1 9.45 9.03 5.45 < 7 6 1 7.87 7.19 5.87 < 7 6 -1 7.89 8.93 5.83 < 8 6 1 1.98 2.09 6.28 < 8 6 -1 2.04 -1.55 5.92 < 9 6 1 114.04 124.20 7.13 o 9 6 -1 114.03 112.24 7.07 o 0 7 1 570.45 524.94 12.30 o 0 7 -1 571.33 557.98 10.28 o 1 7 1 337.79 307.84 7.97 o 1 7 -1 338.13 360.81 7.35 o 2 7 1 85.99 84.71 8.32 o 2 7 -1 86.26 78.75 6.49 o 3 7 1 242.41 247.16 6.54 o 3 7 -1 242.11 231.08 9.65 o 4 7 1 0.00 5.25 5.69 < 4 7 -1 0.01 -0.69 7.20 < 5 7 1 37.66 31.92 5.98 o 5 7 -1 37.66 17.79 7.51 < 6 7 1 21.62 23.24 6.58 o 6 7 -1 21.82 23.22 6.29 o 7 7 1 64.29 80.73 6.47 o 7 7 -1 64.09 77.34 6.51 o 8 7 1 42.14 49.31 7.76 o 8 7 -1 41.84 48.65 7.40 o 1 8 1 62.45 70.27 8.97 o 1 8 -1 62.72 70.99 7.95 o 2 8 1 149.62 161.29 8.36 o 2 8 -1 150.22 153.08 7.23 o 3 8 1 37.44 44.29 7.01 o 3 8 -1 37.44 38.58 7.15 o 4 8 1 108.68 105.74 7.07 o 4 8 -1 108.58 109.97 7.52 o 5 8 1 74.88 76.97 7.07 o 5 8 -1 74.69 58.43 6.36 o 6 8 1 20.89 26.44 7.41 o 6 8 -1 20.78 20.11 6.66 o 7 8 1 3.44 2.68 9.49 < 0 9 1 29.94 40.52 14.06 < 0 9 -1 30.22 39.48 10.81 o 1 9 1 3.99 13.47 9.91 < 1 9 -1 4.03 6.04 8.28 < 2 9 1 3.43 9.96 7.95 < 2 9 -1 3.42 15.75 7.70 < 3 9 1 42.76 43.91 8.17 o 3 9 -1 42.56 41.49 9.34 o 4 9 1 175.93 185.07 8.50 o 4 9 -1 175.98 187.01 8.69 o 5 9 1 13.37 17.03 8.67 < 5 9 -1 13.42 21.02 7.50 < 1 10 1 1.88 3.70 11.42 < 1 10 -1 1.94 1.25 12.49 < 0 0 -2 349.62 373.90 10.55 o 2 0 2 613.09 571.45 10.76 o 2 0 -2 614.20 548.92 10.74 o 4 0 2 15.09 8.49 7.91 < 4 0 -2 15.00 13.27 5.53 < 6 0 2 121.07 101.86 8.66 o 6 0 -2 121.58 125.12 5.98 o 8 0 2 579.65 560.02 8.77 o 8 0 -2 578.28 552.23 7.17 o 10 0 2 3.86 7.72 10.75 < 10 0 -2 3.71 8.41 7.49 < 1 1 2 766.44 773.68 9.58 o 1 1 -2 766.42 682.78 9.34 o 2 1 2 694.39 653.05 8.12 o 2 1 -2 695.23 704.68 6.87 o 3 1 2 409.71 401.63 7.18 o 3 1 -2 410.33 419.60 5.66 o 4 1 2 371.92 375.00 6.52 o 4 1 -2 372.15 387.63 4.21 o 5 1 2 244.81 253.49 5.70 o 5 1 -2 245.34 242.18 4.31 o 6 1 2 59.98 62.88 5.92 o 6 1 -2 59.95 57.19 4.15 o 7 1 2 42.34 41.85 6.06 o 7 1 -2 42.40 38.71 3.87 o 8 1 2 5.36 6.56 6.42 < 8 1 -2 5.44 12.21 3.91 o 9 1 2 25.54 25.44 6.28 o 9 1 -2 25.55 28.55 4.86 o 10 1 2 7.04 3.07 6.98 < 10 1 -2 6.97 9.78 5.37 < 11 1 2 19.85 26.51 8.61 o 11 1 -2 19.83 20.99 5.49 o 0 2 -2 681.89 782.97 10.84 o 1 2 2 790.98 788.36 11.52 o 1 2 -2 790.57 854.83 9.96 o 2 2 2 237.66 241.46 7.22 o 2 2 -2 237.90 251.99 6.04 o 3 2 2 334.08 345.64 6.93 o 3 2 -2 333.81 350.09 5.58 o 4 2 2 638.17 642.39 7.17 o 4 2 -2 638.03 648.80 6.11 o 5 2 2 176.79 171.43 6.09 o 5 2 -2 176.61 173.05 3.96 o 6 2 2 442.26 420.79 6.77 o 6 2 -2 442.47 432.69 4.38 o 7 2 2 46.19 41.14 6.18 o 7 2 -2 45.93 46.24 3.96 o 8 2 2 24.47 19.16 5.93 o 8 2 -2 24.43 22.64 4.61 o 9 2 2 16.70 20.87 7.10 < 9 2 -2 16.71 20.01 4.78 o 10 2 2 28.07 34.21 7.18 o 10 2 -2 27.83 31.12 5.28 o 1 3 -2 470.09 520.95 9.60 o 2 3 2 207.99 227.24 7.82 o 2 3 -2 207.87 226.11 6.95 o 3 3 2 403.08 418.98 6.22 o 3 3 -2 403.20 405.26 7.50 o 4 3 2 208.41 213.40 5.49 o 4 3 -2 208.55 212.28 5.51 o 5 3 2 310.98 328.75 5.56 o 5 3 -2 311.44 316.33 5.32 o 6 3 2 107.87 113.14 5.29 o 6 3 -2 107.93 110.62 4.15 o 7 3 2 13.39 16.61 5.10 o 7 3 -2 13.36 15.98 4.78 o 8 3 2 272.61 271.30 6.15 o 8 3 -2 272.21 266.40 5.47 o 9 3 2 11.41 19.29 7.29 < 9 3 -2 11.53 15.01 5.23 < 10 3 2 64.95 71.72 8.18 o 10 3 -2 64.98 70.65 6.29 o 0 4 -2 148.18 143.01 8.39 o 1 4 -2 250.67 275.42 5.71 o 2 4 2 16.38 17.64 6.51 < 2 4 -2 16.34 17.93 7.56 < 3 4 2 361.93 372.62 6.47 o 3 4 -2 362.07 326.11 7.47 o 4 4 2 489.43 476.67 6.17 o 4 4 -2 489.05 439.77 7.28 o 5 4 2 51.79 49.21 4.89 o 5 4 -2 51.77 55.90 6.03 o 6 4 2 430.49 432.14 6.24 o 6 4 -2 430.33 400.62 5.38 o 7 4 2 90.18 97.10 5.73 o 7 4 -2 90.42 90.71 5.46 o 8 4 2 7.33 9.80 6.06 < 8 4 -2 7.32 2.66 5.41 < 9 4 2 45.56 51.90 6.34 o 9 4 -2 45.81 57.10 6.27 o 10 4 2 19.70 14.70 8.56 < 10 4 -2 19.48 16.48 6.96 < 1 5 2 421.01 481.18 23.70 o 1 5 -2 420.66 437.76 6.64 o 2 5 2 249.91 248.08 10.39 o 2 5 -2 249.65 253.47 8.95 o 3 5 2 27.04 23.61 6.05 o 3 5 -2 26.97 24.17 7.32 o 4 5 2 117.33 122.44 6.11 o 4 5 -2 116.96 106.58 6.71 o 5 5 2 126.28 125.72 5.58 o 5 5 -2 126.57 120.23 6.96 o 6 5 2 2.72 10.46 5.86 < 6 5 -2 2.71 9.95 5.27 < 7 5 2 32.34 32.48 5.34 o 7 5 -2 32.34 26.10 5.63 o 8 5 2 69.81 72.98 6.55 o 8 5 -2 69.80 70.40 5.82 o 9 5 2 26.36 33.34 6.35 o 9 5 -2 26.38 28.47 6.72 o 0 6 -2 326.26 329.18 9.21 o 1 6 2 252.49 242.59 11.32 o 1 6 -2 252.87 246.12 6.50 o 2 6 2 162.59 168.59 8.58 o 2 6 -2 162.42 165.99 6.33 o 3 6 2 39.85 42.58 8.88 o 3 6 -2 39.63 38.96 7.25 o 4 6 2 39.37 38.89 6.29 o 4 6 -2 39.65 34.51 6.44 o 5 6 2 122.51 123.37 6.18 o 5 6 -2 122.62 113.48 6.87 o 6 6 2 0.81 5.23 6.30 < 6 6 -2 0.84 3.72 5.94 < 7 6 2 81.03 85.94 6.88 o 7 6 -2 80.98 82.95 6.52 o 8 6 2 17.94 24.77 7.02 o 8 6 -2 18.03 20.18 6.60 o 1 7 2 129.62 126.12 10.93 o 1 7 -2 129.79 129.81 6.59 o 2 7 2 21.47 25.32 8.94 < 2 7 -2 21.54 25.41 6.51 o 3 7 2 11.36 14.71 7.79 < 3 7 -2 11.37 25.93 6.62 o 4 7 2 6.92 9.81 9.39 < 4 7 -2 6.90 7.49 7.44 < 5 7 2 78.57 87.15 7.19 o 5 7 -2 77.96 77.24 8.50 o 6 7 2 0.55 -1.95 7.22 < 6 7 -2 0.54 4.67 6.90 < 7 7 2 30.97 25.25 7.09 o 7 7 -2 30.92 36.23 6.72 o 0 8 2 327.56 318.68 18.32 o 0 8 -2 329.24 321.24 10.68 o 1 8 2 12.86 14.31 12.25 < 1 8 -2 12.92 6.64 7.10 < 2 8 2 8.44 10.03 10.22 < 2 8 -2 8.58 13.65 7.21 < 3 8 2 59.60 60.80 9.43 o 3 8 -2 59.56 63.73 6.77 o 4 8 2 72.96 77.61 8.84 o 4 8 -2 73.34 73.82 7.74 o 5 8 2 108.68 110.81 11.24 o 5 8 -2 108.76 114.42 11.36 o 6 8 2 10.54 13.57 7.78 < 6 8 -2 10.42 14.76 7.32 < 1 9 -2 34.93 40.41 7.99 o 2 9 2 58.37 60.74 14.10 o 2 9 -2 58.47 71.04 8.12 o 3 9 2 52.48 58.92 11.85 o 3 9 -2 52.09 60.58 8.38 o 4 9 2 29.16 33.92 10.75 o 4 9 -2 29.06 28.59 8.72 o 2 0 3 234.38 245.58 8.99 o 2 0 -3 234.23 231.96 8.79 o 4 0 3 33.64 30.24 8.22 o 4 0 -3 33.64 32.49 6.18 o 6 0 3 266.33 271.09 9.05 o 6 0 -3 265.94 258.02 6.39 o 8 0 3 57.41 55.01 9.70 o 8 0 -3 57.18 54.55 6.16 o 10 0 3 128.05 126.12 11.82 o 10 0 -3 128.40 125.56 8.28 o 0 1 -3 108.58 106.54 6.30 o 1 1 -3 537.16 504.63 7.40 o 2 1 3 188.49 202.43 6.70 o 2 1 -3 188.15 190.24 6.56 o 3 1 3 430.93 421.51 7.14 o 3 1 -3 430.64 418.25 5.88 o 4 1 3 312.81 313.41 6.85 o 4 1 -3 313.14 304.47 5.69 o 5 1 3 143.07 159.11 6.66 o 5 1 -3 143.07 150.60 4.28 o 6 1 3 121.84 123.02 6.71 o 6 1 -3 121.24 119.19 4.38 o 7 1 3 129.43 124.78 6.61 o 7 1 -3 129.32 122.84 4.57 o 8 1 3 26.28 14.51 6.82 < 8 1 -3 26.37 24.86 4.78 o 9 1 3 71.85 67.65 7.46 o 9 1 -3 72.12 71.34 5.24 o 10 1 3 5.45 14.97 8.26 < 10 1 -3 5.50 8.34 5.54 < 1 2 -3 182.75 193.17 5.12 o 2 2 3 62.77 68.57 6.80 o 2 2 -3 63.14 62.12 5.57 o 3 2 3 229.51 227.31 6.83 o 3 2 -3 229.35 230.22 5.60 o 4 2 3 389.38 386.76 7.13 o 4 2 -3 388.68 390.82 5.91 o 5 2 3 291.83 285.26 6.60 o 5 2 -3 292.30 290.04 5.31 o 6 2 3 108.25 109.53 6.78 o 6 2 -3 108.24 106.37 4.61 o 7 2 3 8.47 12.50 5.83 < 7 2 -3 8.41 13.34 4.54 < 8 2 3 35.79 41.77 7.01 o 8 2 -3 35.65 39.23 5.09 o 9 2 3 28.08 27.72 7.58 o 9 2 -3 27.96 23.12 5.34 o 10 2 3 51.27 57.05 8.50 o 10 2 -3 51.44 47.40 5.94 o 0 3 -3 787.57 820.90 10.48 o 1 3 -3 240.57 252.30 5.81 o 2 3 3 36.85 34.66 8.24 o 2 3 -3 36.85 35.99 6.70 o 3 3 3 14.46 10.84 6.68 < 3 3 -3 14.42 14.37 5.60 < 4 3 3 229.93 219.41 6.89 o 4 3 -3 229.99 219.80 5.70 o 5 3 3 17.94 21.99 6.58 o 5 3 -3 17.92 21.40 4.93 o 6 3 3 337.21 331.49 7.43 o 6 3 -3 337.40 332.98 4.70 o 7 3 3 51.22 55.05 6.77 o 7 3 -3 51.27 45.95 4.94 o 8 3 3 16.30 20.01 6.64 o 8 3 -3 16.17 18.55 4.85 o 9 3 3 47.15 44.66 7.25 o 9 3 -3 47.24 53.33 5.58 o 1 4 -3 52.19 54.45 5.88 o 2 4 -3 335.97 341.40 9.19 o 3 4 3 373.78 364.16 8.98 o 3 4 -3 373.75 328.99 8.51 o 4 4 3 106.62 109.03 7.26 o 4 4 -3 106.85 103.40 7.18 o 5 4 3 10.09 11.89 6.79 < 5 4 -3 10.18 11.64 6.73 < 6 4 3 123.22 114.91 6.80 o 6 4 -3 123.21 113.75 5.77 o 7 4 3 8.69 9.82 7.04 < 7 4 -3 8.83 17.56 5.69 o 8 4 3 137.12 144.90 7.86 o 8 4 -3 137.39 142.48 6.29 o 9 4 3 66.79 59.58 8.51 o 9 4 -3 66.67 69.59 6.41 o 0 5 -3 259.73 274.36 9.17 o 1 5 -3 164.25 168.34 5.75 o 2 5 -3 218.54 207.77 5.89 o 3 5 3 707.96 578.97 22.93 o 3 5 -3 707.78 616.40 11.23 o 4 5 3 48.83 49.38 7.91 o 4 5 -3 48.92 54.55 7.77 o 5 5 3 6.04 11.21 7.69 < 5 5 -3 6.03 8.22 7.55 < 6 5 3 89.12 92.04 7.72 o 6 5 -3 89.11 89.81 7.66 o 7 5 3 5.79 9.93 8.07 < 7 5 -3 5.84 8.24 6.04 < 8 5 3 47.52 48.22 8.88 o 8 5 -3 47.51 50.06 6.57 o 1 6 -3 10.40 15.97 5.79 < 2 6 -3 79.95 80.89 5.36 o 3 6 -3 71.20 75.33 6.67 o 4 6 3 59.72 61.25 9.38 o 4 6 -3 59.71 55.49 9.28 o 5 6 3 40.90 41.04 8.28 o 5 6 -3 40.83 41.36 8.76 o 6 6 3 0.37 6.34 8.70 < 6 6 -3 0.40 8.12 8.64 < 7 6 3 106.55 121.61 8.26 o 7 6 -3 106.48 118.59 6.72 o 8 6 -3 27.21 12.75 7.91 < 0 7 -3 24.44 20.08 9.66 < 1 7 -3 10.60 9.43 6.88 < 2 7 -3 16.08 18.05 6.31 < 3 7 -3 14.39 19.53 6.50 o 4 7 -3 16.92 19.32 7.33 < 5 7 3 57.05 56.14 17.20 o 5 7 -3 57.02 54.20 10.20 o 6 7 3 63.35 78.82 9.70 o 6 7 -3 63.59 59.34 9.60 o 1 8 -3 25.12 32.34 7.60 o 2 8 -3 97.29 109.58 7.14 o 3 8 -3 0.64 1.99 7.89 < 4 8 -3 19.86 16.00 7.54 < 5 8 -3 2.78 5.21 8.57 < 0 9 -3 88.98 109.61 12.19 o 1 9 -3 163.19 178.13 8.82 o 2 9 -3 74.64 97.05 12.35 o 0 0 -4 269.84 263.57 10.35 o 2 0 -4 394.29 378.58 9.51 o 4 0 4 159.55 160.60 10.22 o 4 0 -4 158.59 164.85 6.68 o 6 0 4 81.54 89.68 9.36 o 6 0 -4 81.85 81.74 6.52 o 8 0 4 142.01 148.87 9.06 o 8 0 -4 142.63 139.35 7.67 o 1 1 -4 230.04 229.55 5.16 o 2 1 -4 34.20 34.41 6.83 o 3 1 4 143.19 143.02 6.30 o 3 1 -4 143.25 143.47 5.58 o 4 1 4 266.04 262.21 7.04 o 4 1 -4 265.38 259.48 5.90 o 5 1 4 113.40 115.97 6.99 o 5 1 -4 112.98 113.39 4.51 o 6 1 4 18.41 20.49 6.56 o 6 1 -4 18.46 22.35 4.78 o 7 1 4 4.55 4.43 7.53 < 7 1 -4 4.60 3.47 5.08 < 8 1 4 30.77 24.23 7.62 o 8 1 -4 30.60 30.26 5.32 o 9 1 4 11.28 3.45 7.57 < 9 1 -4 11.34 14.86 6.08 < 0 2 -4 302.73 296.31 7.89 o 1 2 -4 78.64 75.74 5.18 o 2 2 -4 72.85 70.93 6.06 o 3 2 4 164.21 172.59 6.88 o 3 2 -4 164.47 161.90 6.08 o 4 2 4 357.72 353.90 7.47 o 4 2 -4 357.45 351.38 6.11 o 5 2 4 177.90 183.10 7.24 o 5 2 -4 177.94 169.86 5.98 o 6 2 4 5.50 0.00 6.13 < 6 2 -4 5.48 12.46 4.66 < 7 2 4 45.86 44.71 7.17 o 7 2 -4 45.73 44.92 5.02 o 8 2 4 43.16 47.17 8.40 o 8 2 -4 43.41 44.57 5.44 o 9 2 4 19.32 24.75 8.48 < 9 2 -4 19.16 25.23 5.97 o 1 3 -4 100.12 99.24 6.08 o 2 3 -4 311.42 315.14 5.87 o 3 3 4 75.95 87.39 7.80 o 3 3 -4 76.25 79.33 6.33 o 4 3 4 27.31 18.76 7.34 < 4 3 -4 27.46 20.67 6.13 o 5 3 4 208.34 191.37 7.51 o 5 3 -4 207.80 198.19 6.46 o 6 3 4 5.23 0.23 7.44 < 6 3 -4 5.22 4.12 5.04 < 7 3 4 112.39 120.16 7.61 o 7 3 -4 112.14 114.05 5.51 o 8 3 4 43.73 41.11 7.36 o 8 3 -4 43.92 43.88 5.65 o 9 3 -4 10.96 17.22 12.37 < 0 4 -4 151.77 146.06 8.96 o 1 4 -4 193.53 200.24 6.03 o 2 4 -4 19.88 22.53 5.74 o 3 4 -4 28.37 28.66 10.03 < 4 4 4 16.96 21.05 8.13 < 4 4 -4 16.98 21.18 7.98 < 5 4 4 118.54 124.32 8.18 o 5 4 -4 118.66 116.50 8.18 o 6 4 4 216.51 230.85 8.88 o 6 4 -4 216.73 232.94 7.62 o 7 4 4 26.38 20.19 8.39 < 7 4 -4 26.21 26.51 6.28 o 8 4 4 33.34 21.05 9.22 < 8 4 -4 33.25 26.89 6.80 o 1 5 -4 173.27 180.89 6.19 o 2 5 -4 10.25 12.10 6.50 < 3 5 -4 60.63 58.00 6.76 o 4 5 -4 26.75 23.88 10.50 < 5 5 4 2.13 7.72 9.41 < 5 5 -4 2.10 3.70 8.85 < 6 5 4 25.76 32.88 8.96 o 6 5 -4 25.82 39.54 9.44 o 7 5 4 63.75 61.80 9.76 o 7 5 -4 63.74 66.92 7.16 o 0 6 -4 494.82 522.02 10.74 o 1 6 -4 70.64 68.98 6.94 o 2 6 -4 20.29 22.72 6.97 o 3 6 -4 11.19 14.88 5.91 < 4 6 -4 12.64 16.84 6.85 < 5 6 -4 4.85 10.31 12.44 < 6 6 4 16.90 13.08 10.91 < 6 6 -4 17.08 17.90 9.67 < 1 7 -4 173.76 172.47 7.80 o 2 7 -4 78.76 87.94 7.09 o 3 7 -4 5.97 15.79 7.17 < 4 7 -4 21.44 23.58 8.17 < 5 7 -4 66.05 62.75 8.68 o 0 8 -4 103.18 115.08 12.04 o 1 8 -4 24.75 32.05 8.37 o 2 8 -4 33.66 35.34 7.82 o 2 0 -5 1017.88 960.73 8.23 o 4 0 5 10.14 10.70 9.55 < 4 0 -5 10.24 5.62 7.11 < 6 0 5 98.43 99.13 10.77 o 6 0 -5 98.46 102.68 7.43 o 8 0 5 5.93 22.69 12.29 < 8 0 -5 5.96 12.42 8.49 < 0 1 -5 483.03 473.44 8.23 o 1 1 -5 123.11 110.30 5.12 o 2 1 -5 19.80 23.41 4.87 o 3 1 -5 17.63 19.34 5.83 o 4 1 5 27.48 23.64 7.35 o 4 1 -5 27.41 24.71 6.30 o 5 1 5 93.12 106.70 7.88 o 5 1 -5 93.03 90.60 5.42 o 6 1 5 22.28 26.20 8.14 o 6 1 -5 22.19 25.54 5.64 o 7 1 5 62.60 69.08 8.10 o 7 1 -5 62.86 57.22 5.87 o 8 1 5 45.72 59.18 8.78 o 8 1 -5 45.99 57.30 6.13 o 1 2 -5 45.02 38.51 5.23 o 2 2 -5 69.03 68.97 4.90 o 3 2 -5 106.84 103.44 5.05 o 4 2 -5 2.82 -1.51 6.11 < 5 2 5 2.57 6.09 7.78 < 5 2 -5 2.55 3.37 6.65 < 6 2 5 10.33 10.05 8.21 < 6 2 -5 10.22 6.44 5.52 < 7 2 5 15.38 27.12 8.86 o 7 2 -5 15.57 19.10 5.95 o 0 3 -5 31.22 28.45 9.26 o 1 3 -5 104.47 87.57 7.93 o 2 3 -5 58.61 58.82 6.30 o 3 3 -5 96.53 99.53 5.70 o 4 3 -5 27.35 28.93 7.14 o 5 3 5 5.05 1.71 8.59 < 5 3 -5 5.09 2.26 6.88 < 6 3 5 36.94 35.91 8.63 o 6 3 -5 36.94 37.77 5.97 o 7 3 5 43.95 45.57 9.32 o 7 3 -5 43.96 34.84 6.42 o 1 4 -5 104.87 105.26 6.94 o 2 4 -5 36.17 47.15 6.97 o 3 4 -5 4.54 1.30 7.05 < 4 4 -5 64.45 65.42 9.65 o 5 4 -5 88.89 83.86 9.70 o 6 4 5 6.39 5.42 10.25 < 6 4 -5 6.36 12.31 9.49 < 0 5 -5 26.41 32.44 8.39 o 1 5 -5 19.42 23.66 7.29 o 2 5 -5 2.08 4.02 7.32 < 3 5 -5 88.47 99.68 6.33 o 4 5 -5 16.88 27.79 7.23 o 5 5 -5 176.87 202.12 11.99 o 1 6 -5 20.60 25.98 7.18 o 2 6 -5 1.97 4.41 7.91 < 3 6 -5 14.16 18.66 8.17 < 4 6 -5 150.69 157.74 7.94 o 0 7 -5 84.14 90.26 12.37 o 1 7 -5 44.74 48.63 8.65 o 0 0 -6 597.57 587.03 13.20 o 2 0 -6 350.10 369.60 9.15 o 4 0 -6 8.36 9.60 6.36 < 6 0 6 105.29 104.14 12.62 o 6 0 -6 106.07 112.18 8.80 o 1 1 -6 81.27 79.92 5.61 o 2 1 -6 55.61 52.28 5.87 o 3 1 -6 31.90 28.60 5.49 o 4 1 -6 77.20 77.15 5.63 o 5 1 -6 25.65 31.21 6.26 o 6 1 -6 76.78 77.02 6.49 o 0 2 -6 22.58 26.18 8.90 < 1 2 -6 0.44 4.29 6.13 < 2 2 -6 48.96 47.04 5.77 o 3 2 -6 39.75 47.69 5.92 o 4 2 -6 68.24 70.90 5.91 o 5 2 -6 68.11 61.28 7.99 o 1 3 -6 0.53 1.53 7.53 < 2 3 -6 14.13 16.38 8.02 < 3 3 -6 7.67 4.18 7.25 < 4 3 -6 12.56 12.12 6.65 < 5 3 -6 55.24 55.11 7.06 o 0 4 -6 134.66 144.89 11.53 o 1 4 -6 3.76 10.39 8.01 < 2 4 -6 7.83 11.58 8.17 < 3 4 -6 94.36 119.50 8.47 o 4 4 -6 83.88 94.40 8.00 o 1 5 -6 18.05 13.26 8.46 < 2 5 -6 0.03 2.85 7.80 < 0 1 -7 94.10 93.33 10.92 o 1 1 -7 50.10 43.57 7.02 o