#------------------------------------------------------------------------------ #$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $ #$Revision: 265307 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000114.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_3000114 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 8.478(5) _cell_length_b 7.398(4) _cell_length_c 5.220(3) _cell_measurement_temperature 98 _cell_volume 327.4(3) _diffrn_ambient_temperature 98 _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 0.0437 _diffrn_reflns_av_unetI/netI 0.0374 _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 1907 _diffrn_reflns_theta_full 29.29 _diffrn_reflns_theta_max 29.29 _diffrn_reflns_theta_min 3.66 _exptl_absorpt_coefficient_mu 0.226 _exptl_crystal_density_diffrn 2.4216 _exptl_crystal_F_000 232 _refine_diff_density_max 0.20 _refine_diff_density_min -0.22 _refine_ls_abs_structure_details ' 268 of Friedel pairs used in the refinement' _refine_ls_extinction_coef 2500(400) _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_goodness_of_fit_gt 1.49 _refine_ls_goodness_of_fit_ref 1.39 _refine_ls_number_constraints 1 _refine_ls_number_parameters 83 _refine_ls_number_reflns 760 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0405 _refine_ls_R_factor_gt 0.0285 _refine_ls_shift/su_max 0.0026 _refine_ls_shift/su_mean 0.0007 _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 0.0277 _refine_ls_wR_factor_ref 0.0290 _reflns_number_gt 617 _reflns_number_total 760 _reflns_threshold_expression I>3\s(I) _cod_data_source_file LiB3O5_98K.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 3000114 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 0.4160(4) 0.5677(5) -0.0073(9) Uani 0.0115(11) 4 1 d . . . B1 B 0.5094(3) 0.8357(3) 0.3530(5) Uani 0.0067(7) 4 1 d . . . B2 B 0.6949(3) 0.0578(4) 0.5492(6) Uani 0.0065(7) 4 1 d . . . B3 B 0.6575(2) 0.7510(3) 0.7317(6) Uani 0.0067(7) 4 1 d . . . O1 O 0.58596(14) 0.9970(2) 0.3466(3) Uani 0.0063(4) 4 1 d . . . O2 O 0.38335(15) 0.7943(2) 0.1974(3) Uani 0.0065(4) 4 1 d . . . O3 O 0.55842(15) 0.7014(2) 0.5272(3) Uani 0.0071(4) 4 1 d . . . O4 O 0.74019(16) 0.90979(19) 0.7321(3) Uani 0.0059(4) 4 1 d . . . O5 O 0.65948(16) 0.6263(2) 0.9270(3) Uani 0.0062(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 0.0134(17) 0.0082(18) 0.013(2) 0.0000(15) -0.0049(16) 0.0021(18) B1 B 0.0087(10) 0.0057(13) 0.0056(12) 0.0022(9) 0.0041(10) -0.0010(11) B2 B 0.0075(11) 0.0045(12) 0.0075(14) 0.0003(9) 0.0005(10) 0.0003(11) B3 B 0.0050(9) 0.0062(11) 0.0088(14) 0.0027(7) 0.0022(10) -0.0026(13) O1 O 0.0080(6) 0.0050(7) 0.0057(8) -0.0001(5) -0.0017(7) 0.0002(7) O2 O 0.0071(6) 0.0038(7) 0.0084(9) 0.0000(6) -0.0011(7) 0.0005(8) O3 O 0.0081(7) 0.0062(7) 0.0068(8) -0.0010(6) -0.0009(6) 0.0001(8) O4 O 0.0068(6) 0.0046(7) 0.0064(8) -0.0004(5) 0.0000(7) 0.0012(8) O5 O 0.0061(6) 0.0062(8) 0.0064(8) -0.0004(5) -0.0012(6) -0.0004(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_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 O2 . . 2.410(3) O1 O2 . 2_675 2.409(3) O1 O3 . . 2.393(3) O1 O4 . . 2.485(3) O1 O5 . 4_654 2.398(3) O2 O3 . . 2.375(3) O2 O4 . 2_674 2.433(3) O2 O5 . 3_464 2.437(3) O3 O4 . . 2.428(3) O3 O5 . . 2.324(3) O4 O5 . . 2.429(3) O4 O5 . 4_654 2.414(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 1.69 1.31 5.39 < 4 0 0 427.09 451.50 5.48 o 6 0 0 164.03 148.58 4.93 o 8 0 0 0.09 -1.01 5.13 < 10 0 0 17.23 30.27 6.06 o 1 1 0 407.59 350.92 7.64 o 2 1 0 368.57 347.72 5.38 o 3 1 0 1.26 2.24 3.32 < 4 1 0 5.24 8.15 3.19 < 5 1 0 0.36 4.66 3.04 < 6 1 0 352.65 357.12 3.67 o 7 1 0 131.03 130.41 3.54 o 8 1 0 348.70 357.19 3.79 o 9 1 0 240.78 250.22 4.58 o 10 1 0 63.83 63.30 5.11 o 11 1 0 28.23 28.76 5.69 o 0 2 0 143.98 143.59 9.93 o 1 2 0 286.69 279.51 6.54 o 2 2 0 412.55 386.95 6.16 o 3 2 0 898.34 909.47 5.34 o 4 2 0 135.58 141.15 3.94 o 5 2 0 716.92 716.58 4.68 o 6 2 0 305.50 313.68 4.23 o 7 2 0 240.67 239.71 3.85 o 8 2 0 43.60 41.49 4.05 o 9 2 0 28.13 27.81 4.42 o 10 2 0 100.69 104.11 5.31 o 11 2 0 0.33 -6.94 5.91 < 1 3 0 406.74 437.05 6.29 o 2 3 0 4.09 14.14 4.81 < 3 3 0 107.82 115.42 3.89 o 4 3 0 106.73 99.64 3.89 o 5 3 0 34.76 35.84 3.88 o 6 3 0 160.90 156.56 4.17 o 7 3 0 271.41 275.72 4.48 o 8 3 0 7.74 9.14 4.44 < 9 3 0 326.86 335.37 5.15 o 10 3 0 131.59 137.27 5.57 o 11 3 0 1.45 5.26 6.77 < 0 4 0 41.21 39.48 6.69 o 1 4 0 634.47 660.07 9.50 o 2 4 0 443.16 448.13 5.64 o 3 4 0 441.07 416.34 5.63 o 4 4 0 379.28 385.01 4.65 o 5 4 0 220.96 220.66 4.24 o 6 4 0 160.10 159.33 4.30 o 7 4 0 278.10 283.39 4.63 o 8 4 0 67.38 74.09 4.47 o 9 4 0 29.65 27.40 5.13 o 10 4 0 33.00 37.60 5.78 o 1 5 0 328.87 332.10 6.14 o 2 5 0 132.25 113.87 5.75 o 3 5 0 222.90 209.00 5.54 o 4 5 0 8.57 17.89 4.03 o 5 5 0 249.71 230.32 4.82 o 6 5 0 14.10 16.34 4.33 o 7 5 0 137.29 140.61 4.73 o 8 5 0 0.38 10.54 4.96 < 9 5 0 48.40 54.43 5.52 o 10 5 0 0.36 -2.72 6.12 < 0 6 0 6.79 6.47 8.15 < 1 6 0 58.96 55.92 5.48 o 2 6 0 690.71 644.61 8.69 o 3 6 0 51.64 54.77 5.91 o 4 6 0 20.31 18.09 4.42 o 5 6 0 141.23 140.03 4.53 o 6 6 0 0.63 0.50 4.66 < 7 6 0 22.86 24.43 4.96 o 8 6 0 1.47 -0.17 5.39 < 9 6 0 1.17 3.71 5.97 < 1 7 0 83.42 89.33 5.87 o 2 7 0 149.85 165.60 6.37 o 3 7 0 475.95 451.09 8.78 o 4 7 0 282.72 262.40 5.60 o 5 7 0 87.51 87.08 5.37 o 6 7 0 23.83 29.66 5.39 o 7 7 0 104.38 108.40 5.89 o 8 7 0 9.05 9.03 5.99 < 0 8 0 3.78 7.67 9.42 < 1 8 0 9.36 13.45 6.68 < 2 8 0 18.70 20.33 6.81 < 3 8 0 309.46 297.98 6.97 o 4 8 0 104.90 116.31 7.34 o 5 8 0 7.13 12.57 5.37 < 6 8 0 51.71 58.12 6.08 o 7 8 0 8.53 5.93 6.83 < 1 9 0 0.09 5.35 7.05 < 2 9 0 147.74 150.81 7.86 o 3 9 0 0.81 3.56 7.39 < 4 9 0 59.26 68.78 6.56 o 5 9 0 307.70 331.94 7.20 o 0 10 0 100.18 107.94 12.62 o 1 10 0 64.70 74.30 8.91 o 2 0 1 2360.69 2301.71 15.62 o 2 0 -1 2361.23 2383.86 11.06 o 4 0 1 2156.16 2185.32 11.65 o 4 0 -1 2157.79 2193.80 8.18 o 6 0 1 290.06 300.52 4.75 o 6 0 -1 289.99 294.52 5.11 o 8 0 1 259.67 266.24 7.77 o 8 0 -1 259.89 256.68 5.43 o 10 0 1 46.04 48.35 8.97 o 10 0 -1 45.80 48.93 6.32 o 0 1 -1 38.44 33.98 8.30 o 1 1 1 1169.01 1161.48 10.65 o 1 1 -1 1168.94 1162.32 8.82 o 2 1 1 1605.50 1574.14 7.68 o 2 1 -1 1605.94 1533.86 7.47 o 3 1 1 1167.76 1200.44 5.94 o 3 1 -1 1169.04 1198.41 5.09 o 4 1 1 495.16 499.58 4.50 o 4 1 -1 496.23 502.56 3.87 o 5 1 1 184.48 177.81 3.98 o 5 1 -1 184.31 174.85 3.42 o 6 1 1 86.52 85.01 3.99 o 6 1 -1 86.66 92.15 3.26 o 7 1 1 71.13 75.19 4.08 o 7 1 -1 70.77 70.64 3.37 o 8 1 1 79.35 79.62 4.36 o 8 1 -1 78.93 85.66 3.75 o 9 1 1 72.04 76.00 4.75 o 9 1 -1 71.93 78.84 4.06 o 10 1 1 257.91 262.90 6.05 o 10 1 -1 257.76 255.32 4.30 o 11 1 1 2.00 6.85 6.53 < 11 1 -1 2.06 -2.76 5.80 < 1 2 1 658.51 647.11 7.44 o 1 2 -1 657.93 646.34 8.54 o 2 2 1 1774.61 1807.23 7.92 o 2 2 -1 1773.53 1715.58 9.07 o 3 2 1 146.64 158.46 4.22 o 3 2 -1 146.63 159.98 4.20 o 4 2 1 252.57 265.57 4.16 o 4 2 -1 252.81 267.50 3.43 o 5 2 1 21.02 29.65 4.08 o 5 2 -1 21.06 27.06 3.32 o 6 2 1 203.76 208.20 4.24 o 6 2 -1 204.10 214.30 3.33 o 7 2 1 266.90 269.51 4.37 o 7 2 -1 266.98 250.30 3.79 o 8 2 1 87.80 87.35 4.45 o 8 2 -1 87.34 92.50 3.84 o 9 2 1 1.01 6.51 4.46 < 9 2 -1 1.00 -5.30 4.14 < 10 2 1 36.56 37.84 4.68 o 10 2 -1 36.56 37.75 5.28 o 11 2 1 35.20 38.23 7.37 o 11 2 -1 35.22 40.15 5.30 o 0 3 1 1653.65 1738.78 19.56 o 0 3 -1 1650.86 1695.15 11.25 o 1 3 1 156.51 171.04 6.19 o 1 3 -1 156.41 175.46 5.93 o 2 3 1 259.73 277.18 4.95 o 2 3 -1 259.60 264.56 5.69 o 3 3 1 451.93 466.80 4.88 o 3 3 -1 452.24 452.71 5.86 o 4 3 1 68.89 76.34 4.17 o 4 3 -1 68.87 84.57 5.24 o 5 3 1 356.41 341.07 4.56 o 5 3 -1 356.29 344.17 4.32 o 6 3 1 220.92 220.72 4.04 o 6 3 -1 220.57 219.40 4.22 o 7 3 1 250.34 249.34 4.43 o 7 3 -1 250.47 252.78 4.43 o 8 3 1 336.20 331.74 4.83 o 8 3 -1 336.69 334.76 4.81 o 9 3 1 125.09 126.87 5.05 o 9 3 -1 125.07 125.43 5.05 o 10 3 1 7.74 10.15 5.17 < 10 3 -1 7.72 10.04 5.13 < 11 3 1 6.25 13.69 8.75 < 1 4 1 546.35 527.02 10.63 o 1 4 -1 546.05 555.77 8.01 o 2 4 1 677.92 678.44 5.62 o 2 4 -1 677.05 626.58 6.34 o 3 4 1 36.10 35.83 4.29 o 3 4 -1 35.90 32.48 4.83 o 4 4 1 22.43 21.93 4.33 o 4 4 -1 22.50 25.85 4.77 o 5 4 1 331.82 339.97 4.68 o 5 4 -1 332.33 325.54 4.62 o 6 4 1 23.94 19.84 4.38 o 6 4 -1 23.94 23.11 4.16 o 7 4 1 81.16 87.04 4.70 o 7 4 -1 81.38 81.15 4.47 o 8 4 1 97.54 91.32 4.51 o 8 4 -1 97.36 100.23 4.79 o 9 4 1 120.26 113.30 5.33 o 9 4 -1 120.24 111.51 5.27 o 10 4 1 62.01 59.46 5.89 o 10 4 -1 61.89 48.09 5.87 o 0 5 1 57.43 66.63 8.89 o 0 5 -1 57.15 64.80 6.90 o 1 5 1 93.19 97.70 6.39 o 1 5 -1 93.16 90.77 5.03 o 2 5 1 18.65 16.15 5.24 o 2 5 -1 18.73 21.69 5.58 o 3 5 1 85.14 84.11 4.71 o 3 5 -1 85.35 79.06 5.40 o 4 5 1 93.92 94.46 4.58 o 4 5 -1 93.78 94.11 5.53 o 5 5 1 437.24 431.22 4.95 o 5 5 -1 436.98 421.68 4.64 o 6 5 1 24.14 25.63 4.61 o 6 5 -1 23.91 26.65 4.40 o 7 5 1 160.23 161.38 4.86 o 7 5 -1 160.13 151.55 4.77 o 8 5 1 28.46 35.08 5.37 o 8 5 -1 28.55 25.92 5.05 o 9 5 1 15.71 19.03 5.56 o 9 5 -1 15.70 10.35 5.54 < 1 6 1 321.55 320.94 7.19 o 1 6 -1 321.50 316.15 5.50 o 2 6 1 185.31 185.62 6.25 o 2 6 -1 185.93 187.68 5.25 o 3 6 1 100.30 100.63 4.77 o 3 6 -1 100.26 97.58 5.70 o 4 6 1 76.00 74.44 4.81 o 4 6 -1 75.72 70.64 6.11 o 5 6 1 77.06 78.25 4.79 o 5 6 -1 76.63 70.48 4.77 o 6 6 1 8.05 10.56 5.17 < 6 6 -1 8.07 10.32 4.70 < 7 6 1 7.72 8.08 5.00 < 7 6 -1 7.73 11.23 5.00 < 8 6 1 2.63 -2.89 5.80 < 8 6 -1 2.70 0.39 5.78 < 9 6 1 117.32 133.81 6.56 o 9 6 -1 117.35 79.41 6.50 o 0 7 1 551.17 561.76 11.27 o 0 7 -1 552.03 492.97 8.51 o 1 7 1 378.11 366.14 7.60 o 1 7 -1 378.49 374.74 6.24 o 2 7 1 90.77 92.64 6.88 o 2 7 -1 91.07 80.21 5.87 o 3 7 1 283.93 284.35 5.84 o 3 7 -1 283.56 274.24 8.28 o 4 7 1 0.63 8.17 5.15 < 4 7 -1 0.62 2.35 6.10 < 5 7 1 39.21 36.70 5.41 o 5 7 -1 39.21 36.46 5.13 o 6 7 1 23.34 14.75 5.73 < 6 7 -1 23.53 17.05 5.45 o 7 7 1 82.32 83.25 5.98 o 7 7 -1 82.08 91.81 5.67 o 8 7 1 50.58 53.78 6.53 o 8 7 -1 50.24 54.79 6.17 o 1 8 1 67.20 74.81 7.74 o 1 8 -1 67.50 79.62 6.88 o 2 8 1 165.52 178.12 8.01 o 2 8 -1 166.16 168.21 6.65 o 3 8 1 37.75 39.26 6.06 o 3 8 -1 37.72 39.31 6.10 o 4 8 1 114.29 111.10 6.17 o 4 8 -1 114.22 119.47 6.45 o 5 8 1 90.87 87.31 6.21 o 5 8 -1 90.63 86.38 6.13 o 6 8 1 27.40 15.65 6.49 < 6 8 -1 27.28 34.43 6.17 o 7 8 -1 3.18 9.63 10.86 < 0 9 1 40.59 59.38 12.20 o 0 9 -1 40.95 51.23 9.40 o 1 9 1 4.29 2.50 8.60 < 1 9 -1 4.32 9.03 7.13 < 2 9 1 4.70 5.26 7.16 < 2 9 -1 4.69 5.37 6.77 < 3 9 1 53.63 55.03 7.48 o 3 9 -1 53.41 50.98 7.55 o 4 9 1 205.77 218.05 7.21 o 4 9 -1 205.85 220.21 7.54 o 5 9 1 12.95 7.09 7.59 < 5 9 -1 12.99 14.74 10.89 < 1 10 1 1.21 4.74 10.58 < 1 10 -1 1.26 8.47 7.74 < 0 0 -2 344.22 346.52 8.58 o 2 0 2 707.91 710.01 9.06 o 2 0 -2 709.08 692.36 9.63 o 4 0 2 20.83 16.88 6.71 < 4 0 -2 20.74 19.13 4.51 o 6 0 2 104.92 100.22 7.23 o 6 0 -2 105.46 99.21 4.92 o 8 0 2 679.76 683.44 8.76 o 8 0 -2 678.22 661.94 6.20 o 10 0 2 5.58 1.03 9.27 < 10 0 -2 5.40 4.18 6.57 < 1 1 2 797.91 848.42 7.68 o 1 1 -2 797.92 806.34 7.70 o 2 1 2 730.76 790.17 6.96 o 2 1 -2 731.56 772.17 5.73 o 3 1 2 404.52 408.96 5.55 o 3 1 -2 405.14 415.59 4.62 o 4 1 2 375.06 395.62 5.13 o 4 1 -2 375.30 389.40 3.89 o 5 1 2 260.73 270.01 5.22 o 5 1 -2 261.31 260.33 3.51 o 6 1 2 66.26 65.12 5.07 o 6 1 -2 66.20 65.85 3.47 o 7 1 2 52.09 49.01 5.16 o 7 1 -2 52.19 57.61 3.60 o 8 1 2 7.11 13.77 5.43 < 8 1 -2 7.20 7.91 3.79 < 9 1 2 17.70 21.90 5.41 o 9 1 -2 17.70 19.47 4.20 o 10 1 2 13.58 23.71 5.99 o 10 1 -2 13.48 18.88 4.27 o 11 1 2 30.10 27.77 7.48 o 11 1 -2 30.11 30.55 6.14 o 0 2 -2 703.10 773.40 8.87 o 1 2 2 819.40 880.29 9.31 o 1 2 -2 818.97 883.37 8.10 o 2 2 2 240.21 253.53 6.01 o 2 2 -2 240.45 248.57 5.03 o 3 2 2 344.40 352.85 5.71 o 3 2 -2 344.12 350.94 4.72 o 4 2 2 704.51 708.38 6.36 o 4 2 -2 704.43 714.00 4.72 o 5 2 2 176.91 172.15 5.10 o 5 2 -2 176.69 165.94 3.55 o 6 2 2 454.59 447.86 5.60 o 6 2 -2 454.78 451.46 3.93 o 7 2 2 41.57 47.21 5.15 o 7 2 -2 41.35 39.70 3.67 o 8 2 2 27.20 30.92 5.54 o 8 2 -2 27.13 28.11 3.90 o 9 2 2 30.95 31.16 6.04 o 9 2 -2 30.95 34.26 4.07 o 10 2 2 39.10 46.03 6.21 o 10 2 -2 38.80 46.98 4.83 o 1 3 -2 516.65 547.88 7.84 o 2 3 2 194.27 203.80 6.34 o 2 3 -2 194.16 205.21 5.95 o 3 3 2 421.76 430.80 5.26 o 3 3 -2 421.89 424.75 6.04 o 4 3 2 237.93 240.32 4.68 o 4 3 -2 238.09 234.67 4.26 o 5 3 2 323.74 333.02 4.68 o 5 3 -2 324.24 334.34 3.81 o 6 3 2 116.52 114.82 4.51 o 6 3 -2 116.58 120.62 3.95 o 7 3 2 14.07 17.14 4.40 o 7 3 -2 14.02 11.73 4.59 < 8 3 2 291.21 292.94 5.26 o 8 3 -2 290.75 278.01 4.65 o 9 3 2 10.95 16.53 6.27 < 9 3 -2 11.07 0.99 5.07 < 10 3 2 62.38 69.32 7.10 o 10 3 -2 62.44 41.73 5.09 o 0 4 -2 164.31 163.11 7.20 o 1 4 -2 248.39 246.54 4.83 o 2 4 2 18.64 18.52 5.48 o 2 4 -2 18.60 13.35 6.14 < 3 4 2 413.28 408.21 5.45 o 3 4 -2 413.44 385.39 6.32 o 4 4 2 524.52 504.20 5.20 o 4 4 -2 524.12 483.35 6.50 o 5 4 2 63.37 60.00 4.42 o 5 4 -2 63.36 60.08 5.50 o 6 4 2 471.32 463.13 5.08 o 6 4 -2 471.17 454.11 4.97 o 7 4 2 112.51 115.62 4.96 o 7 4 -2 112.74 125.85 4.66 o 8 4 2 14.44 11.77 4.94 < 8 4 -2 14.43 17.57 5.17 o 9 4 2 60.05 64.89 5.80 o 9 4 -2 60.35 31.12 5.46 o 10 4 2 26.33 17.96 7.44 < 10 4 -2 26.06 17.10 6.40 < 1 5 2 451.89 490.41 14.29 o 1 5 -2 451.47 445.12 5.54 o 2 5 2 247.02 248.89 8.79 o 2 5 -2 246.71 251.34 7.49 o 3 5 2 23.42 25.51 4.89 o 3 5 -2 23.35 20.78 5.71 o 4 5 2 107.65 118.06 5.16 o 4 5 -2 107.30 98.26 6.00 o 5 5 2 114.12 118.16 4.71 o 5 5 -2 114.42 112.40 5.96 o 6 5 2 5.88 7.87 4.76 < 6 5 -2 5.87 3.04 4.74 < 7 5 2 41.85 37.48 4.89 o 7 5 -2 41.83 40.99 4.85 o 8 5 2 77.35 83.50 5.37 o 8 5 -2 77.39 77.72 5.61 o 9 5 2 26.03 30.44 5.56 o 9 5 -2 26.03 13.06 5.86 < 0 6 -2 386.97 367.76 7.91 o 1 6 2 266.87 264.13 9.33 o 1 6 -2 267.27 262.81 5.47 o 2 6 2 166.69 164.47 7.28 o 2 6 -2 166.51 165.90 5.40 o 3 6 2 47.14 50.98 7.20 o 3 6 -2 46.89 51.54 5.82 o 4 6 2 38.08 32.73 5.41 o 4 6 -2 38.37 33.45 6.32 o 5 6 2 142.90 143.21 5.55 o 5 6 -2 143.01 133.95 6.35 o 6 6 2 0.67 6.19 5.43 < 6 6 -2 0.69 2.18 5.17 < 7 6 2 96.93 95.75 5.70 o 7 6 -2 96.86 99.55 5.65 o 8 6 2 27.85 32.60 6.17 o 8 6 -2 27.96 30.48 5.78 o 1 7 2 145.42 140.94 9.33 o 1 7 -2 145.59 135.50 5.59 o 2 7 2 26.13 30.08 7.70 o 2 7 -2 26.23 28.01 5.56 o 3 7 2 15.39 16.86 7.05 < 3 7 -2 15.39 16.84 5.69 < 4 7 2 9.37 13.62 8.06 < 4 7 -2 9.34 13.84 6.85 < 5 7 2 101.57 113.56 6.30 o 5 7 -2 100.85 94.03 6.84 o 6 7 2 0.94 5.02 6.25 < 6 7 -2 0.96 0.28 5.69 < 7 7 2 38.72 39.54 6.84 o 7 7 -2 38.66 36.27 6.19 o 0 8 2 354.15 364.25 15.15 o 0 8 -2 356.01 344.19 9.09 o 1 8 2 14.23 14.53 10.37 < 1 8 -2 14.27 17.40 6.01 < 2 8 2 12.59 13.75 9.01 < 2 8 -2 12.77 16.56 6.19 < 3 8 2 69.67 79.42 8.50 o 3 8 -2 69.61 68.79 6.43 o 4 8 2 80.81 87.24 7.90 o 4 8 -2 81.20 88.25 7.23 o 5 8 2 126.54 137.30 9.37 o 5 8 -2 126.67 126.32 10.12 o 6 8 2 20.76 19.88 7.14 < 6 8 -2 20.60 21.56 6.47 o 1 9 -2 39.32 50.02 7.01 o 2 9 2 52.35 48.93 11.93 o 2 9 -2 52.46 60.38 7.16 o 3 9 2 65.81 69.69 10.57 o 3 9 -2 65.35 79.78 7.40 o 4 9 2 31.93 37.49 11.81 o 4 9 -2 31.83 30.57 7.55 o 2 0 3 240.26 238.26 8.49 o 2 0 -3 240.04 243.31 7.48 o 4 0 3 43.72 39.97 7.05 o 4 0 -3 43.70 47.76 4.75 o 6 0 3 313.17 306.73 7.86 o 6 0 -3 312.75 306.99 5.82 o 8 0 3 55.18 59.01 8.35 o 8 0 -3 54.88 54.78 5.89 o 10 0 3 129.33 139.94 10.27 o 10 0 -3 129.76 142.98 6.63 o 0 1 -3 116.35 108.51 5.32 o 1 1 -3 585.82 581.79 6.36 o 2 1 3 201.00 203.55 5.56 o 2 1 -3 200.64 201.23 5.54 o 3 1 3 466.50 461.66 5.72 o 3 1 -3 466.25 451.21 4.92 o 4 1 3 361.95 354.72 5.57 o 4 1 -3 362.29 354.26 4.40 o 5 1 3 182.43 182.20 5.25 o 5 1 -3 182.47 184.38 3.67 o 6 1 3 130.27 120.73 5.40 o 6 1 -3 129.65 107.97 3.82 o 7 1 3 147.31 146.99 5.59 o 7 1 -3 147.25 140.99 3.91 o 8 1 3 25.91 25.22 5.89 o 8 1 -3 25.98 20.96 3.95 o 9 1 3 89.07 95.34 6.56 o 9 1 -3 89.33 85.63 4.40 o 10 1 3 7.20 18.24 7.16 < 10 1 -3 7.26 8.64 5.09 < 1 2 -3 196.57 208.10 4.31 o 2 2 3 52.46 52.77 5.70 o 2 2 -3 52.81 53.66 4.85 o 3 2 3 242.16 246.84 6.02 o 3 2 -3 242.02 245.43 4.85 o 4 2 3 420.14 425.96 6.01 o 4 2 -3 419.38 420.20 4.80 o 5 2 3 287.72 284.35 5.48 o 5 2 -3 288.17 285.39 4.07 o 6 2 3 114.37 104.18 5.42 o 6 2 -3 114.37 109.45 3.61 o 7 2 3 6.96 12.24 5.54 < 7 2 -3 6.91 9.33 3.99 < 8 2 3 40.87 41.81 6.06 o 8 2 -3 40.71 32.37 4.23 o 9 2 3 29.83 25.14 6.64 o 9 2 -3 29.66 21.82 4.46 o 10 2 3 61.75 59.59 7.46 o 10 2 -3 61.89 45.23 5.24 o 0 3 -3 856.90 836.24 8.63 o 1 3 -3 252.98 247.50 4.79 o 2 3 3 41.82 43.01 6.75 o 2 3 -3 41.80 34.73 5.59 o 3 3 3 17.18 16.08 5.43 < 3 3 -3 17.14 14.21 4.79 < 4 3 3 241.74 246.71 6.19 o 4 3 -3 241.81 238.10 5.02 o 5 3 3 21.17 25.05 5.54 o 5 3 -3 21.15 22.62 4.61 o 6 3 3 391.43 387.71 5.96 o 6 3 -3 391.79 380.76 4.31 o 7 3 3 52.39 50.75 5.80 o 7 3 -3 52.42 54.00 4.05 o 8 3 3 20.52 18.84 6.19 o 8 3 -3 20.33 14.92 4.38 o 9 3 3 62.46 67.70 6.86 o 9 3 -3 62.57 33.84 5.61 o 10 3 -3 23.55 6.12 10.74 < 1 4 -3 78.42 77.89 5.01 o 2 4 -3 403.52 391.76 7.77 o 3 4 3 388.96 393.10 7.78 o 3 4 -3 388.94 372.54 7.26 o 4 4 3 109.43 112.36 6.61 o 4 4 -3 109.67 99.30 6.11 o 5 4 3 4.50 13.28 6.21 < 5 4 -3 4.55 9.05 5.71 < 6 4 3 136.97 141.07 6.30 o 6 4 -3 136.97 126.82 4.71 o 7 4 3 11.90 15.76 6.45 < 7 4 -3 12.07 14.33 4.85 < 8 4 3 144.81 158.17 6.74 o 8 4 -3 145.13 145.63 5.14 o 9 4 3 89.42 88.92 7.33 o 9 4 -3 89.28 97.51 6.28 o 0 5 -3 278.46 254.39 6.36 o 1 5 -3 166.76 167.15 5.32 o 2 5 -3 226.91 206.55 5.36 o 3 5 3 776.26 742.79 19.43 o 3 5 -3 776.00 673.60 9.59 o 4 5 3 45.67 43.54 6.73 o 4 5 -3 45.81 40.20 6.64 o 5 5 3 6.01 17.16 6.55 < 5 5 -3 5.99 14.61 6.51 < 6 5 3 92.02 84.79 6.56 o 6 5 -3 91.99 82.25 6.47 o 7 5 3 4.37 0.22 6.40 < 7 5 -3 4.42 6.72 5.47 < 8 5 3 57.62 64.20 7.66 o 8 5 -3 57.58 60.00 5.48 o 1 6 -3 10.13 6.08 4.85 < 2 6 -3 79.16 80.80 5.54 o 3 6 -3 86.29 86.20 5.65 o 4 6 3 73.38 73.54 8.07 o 4 6 -3 73.39 60.19 7.59 o 5 6 3 49.62 53.07 7.16 o 5 6 -3 49.53 44.49 7.48 o 6 6 3 1.14 3.81 7.59 < 6 6 -3 1.16 2.97 6.98 < 7 6 3 133.03 148.86 7.23 o 7 6 -3 132.93 139.75 6.11 o 0 7 -3 32.27 27.88 8.26 o 1 7 -3 13.23 18.93 5.35 o 2 7 -3 20.27 25.74 5.89 o 3 7 -3 18.09 26.15 5.58 o 4 7 -3 25.50 28.01 6.38 o 5 7 3 63.79 72.75 14.90 o 5 7 -3 63.82 69.02 8.84 o 6 7 3 69.87 70.57 8.99 o 6 7 -3 70.11 73.96 8.39 o 1 8 -3 31.90 35.55 6.58 o 2 8 -3 122.82 146.19 6.78 o 3 8 -3 1.12 0.50 6.85 < 4 8 -3 28.21 23.97 7.24 o 5 8 3 3.68 2.95 17.37 < 5 8 -3 3.61 2.72 7.52 < 0 9 -3 80.87 85.79 10.74 o 1 9 -3 175.96 189.02 7.79 o 2 9 -3 92.61 102.32 7.83 o 0 0 -4 335.91 321.91 8.89 o 2 0 -4 426.11 402.79 8.01 o 4 0 4 197.73 200.36 7.67 o 4 0 -4 196.60 196.66 5.34 o 6 0 4 109.14 117.60 8.16 o 6 0 -4 109.52 110.03 6.09 o 8 0 4 182.80 212.47 9.50 o 8 0 -4 183.64 108.26 6.61 o 1 1 -4 281.27 273.22 4.09 o 2 1 -4 29.83 32.43 5.35 o 3 1 4 145.95 143.50 5.72 o 3 1 -4 146.04 135.49 4.67 o 4 1 4 294.27 301.59 5.61 o 4 1 -4 293.50 292.82 4.72 o 5 1 4 123.09 118.85 5.46 o 5 1 -4 122.69 121.05 4.12 o 6 1 4 23.93 25.89 5.69 o 6 1 -4 23.98 27.96 3.92 o 7 1 4 13.72 15.50 6.04 < 7 1 -4 13.80 10.63 4.23 < 8 1 4 43.64 43.99 7.07 o 8 1 -4 43.43 33.57 4.96 o 9 1 4 11.67 18.73 7.29 < 9 1 -4 11.72 9.27 5.04 < 0 2 -4 320.31 310.29 6.72 o 1 2 -4 79.56 70.74 4.38 o 2 2 -4 82.07 70.53 4.94 o 3 2 4 165.70 178.32 5.86 o 3 2 -4 165.99 155.44 4.99 o 4 2 4 388.96 405.18 6.33 o 4 2 -4 388.68 375.52 5.18 o 5 2 4 221.47 222.90 5.84 o 5 2 -4 221.44 212.31 4.89 o 6 2 4 6.63 11.53 6.19 < 6 2 -4 6.58 0.84 4.31 < 7 2 4 59.70 66.82 5.69 o 7 2 -4 59.54 55.73 4.34 o 8 2 4 50.68 60.70 6.75 o 8 2 -4 50.94 51.45 4.72 o 9 2 4 27.85 37.62 7.50 o 9 2 -4 27.63 25.76 5.43 o 1 3 -4 98.06 96.68 5.12 o 2 3 -4 340.16 331.51 5.24 o 3 3 4 93.90 102.51 6.63 o 3 3 -4 94.25 89.48 5.37 o 4 3 4 26.57 24.64 6.32 o 4 3 -4 26.71 28.74 5.26 o 5 3 4 250.91 237.57 6.81 o 5 3 -4 250.33 239.34 5.58 o 6 3 4 4.99 4.91 6.42 < 6 3 -4 4.94 6.06 4.46 < 7 3 4 143.05 154.31 7.06 o 7 3 -4 142.73 143.51 4.79 o 8 3 4 40.04 50.48 7.57 o 8 3 -4 40.24 35.38 5.11 o 9 3 -4 11.90 2.31 7.63 < 0 4 -4 143.11 135.35 7.56 o 1 4 -4 223.76 218.65 5.45 o 2 4 -4 20.58 23.76 5.22 o 3 4 -4 41.17 43.02 8.60 o 4 4 4 15.54 27.10 7.26 o 4 4 -4 15.56 17.83 6.81 < 5 4 4 157.13 157.24 7.13 o 5 4 -4 157.31 155.32 6.93 o 6 4 4 253.45 284.11 7.22 o 6 4 -4 253.74 264.87 6.64 o 7 4 4 39.35 39.98 7.33 o 7 4 -4 39.16 43.36 5.71 o 8 4 4 34.20 37.36 7.93 o 8 4 -4 34.10 32.36 5.97 o 1 5 -4 195.93 198.29 5.68 o 2 5 -4 9.96 9.14 5.45 < 3 5 -4 75.76 79.95 5.78 o 4 5 -4 29.74 25.55 9.01 < 5 5 4 4.01 5.75 8.15 < 5 5 -4 3.95 4.07 7.97 < 6 5 4 30.23 43.21 7.35 o 6 5 -4 30.28 39.65 7.63 o 7 5 4 71.64 78.47 7.87 o 7 5 -4 71.63 79.76 6.49 o 0 6 -4 602.99 618.20 7.71 o 1 6 -4 79.92 82.06 5.87 o 2 6 -4 20.70 23.07 5.91 o 3 6 -4 12.02 18.84 6.01 o 4 6 -4 12.50 19.01 5.76 o 5 6 -4 6.57 11.25 10.82 < 6 6 4 23.47 25.98 9.10 < 6 6 -4 23.66 24.12 9.38 < 1 7 -4 196.47 199.00 6.09 o 2 7 -4 89.97 100.73 5.46 o 3 7 -4 8.83 9.07 6.19 < 4 7 -4 22.26 27.59 7.07 o 5 7 -4 74.25 90.03 7.55 o 0 8 -4 138.16 139.13 10.51 o 1 8 -4 21.65 26.43 7.37 o 2 8 -4 36.32 31.39 6.81 o 2 0 -5 1181.28 1167.03 7.55 o 4 0 5 6.81 24.38 8.10 o 4 0 -5 6.94 10.28 6.12 < 6 0 5 92.21 101.51 9.23 o 6 0 -5 92.25 100.28 6.86 o 8 0 5 4.69 18.36 10.69 < 8 0 -5 4.69 1.53 7.31 < 0 1 -5 557.66 555.70 7.36 o 1 1 -5 124.93 121.94 4.49 o 2 1 -5 22.88 25.07 4.29 o 3 1 -5 34.39 35.32 5.02 o 4 1 5 31.91 29.52 6.30 o 4 1 -5 31.82 35.55 5.13 o 5 1 5 114.65 123.60 6.65 o 5 1 -5 114.47 111.40 4.64 o 6 1 5 28.54 32.90 6.47 o 6 1 -5 28.43 28.44 4.66 o 7 1 5 77.20 80.57 7.57 o 7 1 -5 77.40 78.13 5.26 o 8 1 5 50.80 65.77 7.66 o 8 1 -5 51.11 21.59 5.54 o 1 2 -5 55.83 54.14 4.57 o 2 2 -5 90.00 98.27 4.40 o 3 2 -5 130.26 123.16 5.16 o 4 2 5 2.18 1.47 9.63 < 4 2 -5 2.14 2.89 5.67 < 5 2 5 4.90 11.10 7.16 < 5 2 -5 4.85 4.74 5.47 < 6 2 5 14.32 9.14 7.18 < 6 2 -5 14.19 16.25 4.98 o 7 2 5 26.29 35.31 7.70 o 7 2 -5 26.55 29.67 5.22 o 0 3 -5 18.08 18.15 7.78 < 1 3 -5 116.34 90.98 7.38 o 2 3 -5 76.77 72.40 5.48 o 3 3 -5 125.15 121.35 5.27 o 4 3 -5 25.10 30.74 6.40 o 5 3 5 6.92 5.84 7.01 < 5 3 -5 6.96 8.77 5.95 < 6 3 5 35.79 38.14 7.93 o 6 3 -5 35.76 36.78 5.39 o 7 3 5 61.32 61.44 7.98 o 7 3 -5 61.35 61.36 5.63 o 1 4 -5 140.78 141.15 5.53 o 2 4 -5 36.49 36.44 5.97 o 3 4 -5 4.45 7.87 6.12 < 4 4 -5 77.92 73.49 8.46 o 5 4 -5 104.05 98.50 8.33 o 6 4 5 4.74 6.04 8.86 < 6 4 -5 4.71 7.50 8.23 < 0 5 -5 35.55 41.33 8.69 o 1 5 -5 14.63 17.05 5.65 o 2 5 -5 4.05 15.24 6.29 < 3 5 -5 105.29 108.32 6.62 o 4 5 -5 25.00 39.13 6.75 o 5 5 -5 210.54 221.56 10.39 o 6 5 -5 56.01 58.70 10.50 o 1 6 -5 31.63 40.06 6.10 o 2 6 -5 7.16 10.09 6.23 < 3 6 -5 19.76 29.92 6.38 o 4 6 -5 174.89 178.74 7.51 o 0 7 -5 90.98 98.42 10.55 o 1 7 -5 57.90 73.07 7.46 o 2 7 -5 200.35 210.34 7.80 o 0 0 -6 731.77 766.78 11.52 o 2 0 -6 427.61 435.45 7.39 o 4 0 -6 5.61 9.46 5.99 < 6 0 6 136.19 161.70 12.71 o 6 0 -6 137.20 141.44 8.33 o 1 1 -6 96.28 93.73 4.96 o 2 1 -6 62.84 62.87 5.03 o 3 1 -6 36.73 38.96 4.77 o 4 1 -6 93.17 93.63 4.85 o 5 1 -6 16.92 19.03 5.20 o 6 1 6 104.49 116.08 8.46 o 6 1 -6 104.73 74.59 5.87 o 0 2 -6 39.21 45.15 7.68 o 1 2 -6 0.87 6.21 5.58 < 2 2 -6 52.75 51.48 5.18 o 3 2 -6 57.83 61.94 5.00 o 4 2 -6 89.44 87.22 5.35 o 5 2 -6 81.57 69.07 7.12 o 6 2 -6 6.29 11.08 12.61 < 1 3 -6 0.32 7.41 6.55 < 2 3 -6 17.65 17.94 7.50 < 3 3 -6 10.57 11.49 6.47 < 4 3 -6 19.49 20.74 5.99 o 5 3 -6 65.48 62.24 6.23 o 0 4 -6 183.64 208.37 9.96 o 1 4 -6 11.29 16.75 6.90 < 2 4 -6 8.98 11.90 6.92 < 3 4 -6 117.06 137.07 7.29 o 4 4 -6 119.54 141.93 7.77 o 1 5 -6 18.34 22.12 7.42 < 2 5 -6 0.71 7.87 6.83 < 2 0 -7 31.77 29.52 8.88 o 0 1 -7 100.88 105.03 9.32 o 1 1 -7 59.89 57.34 6.41 o 2 1 -7 81.58 81.09 7.70 o