#------------------------------------------------------------------------------ #$Date: 2016-03-04 11:08:28 +0200 (Fri, 04 Mar 2016) $ #$Revision: 177394 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/26/4002658.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_4002658 loop_ _publ_author_name 'Wiedemann, Dennis' 'Nakhal, Suliman' 'Rahn, Johanna' 'Witt, Elena' 'Islam, Mazharul M.' 'Zander, Stefan' 'Heitjans, Paul' 'Schmidt, Harald' 'Bredow, Thomas' 'Wilkening, Martin' 'Lerch, Martin' _publ_section_title ; Unravelling Ultraslow Lithium-Ion Diffusion in \g-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers ; _journal_issue 3 _journal_name_full 'Chemistry of Materials' _journal_page_first 915 _journal_paper_doi 10.1021/acs.chemmater.5b04608 _journal_volume 28 _journal_year 2016 _chemical_absolute_configuration unk _chemical_formula_sum 'Al Li O2' _chemical_formula_weight 65.9 _chemical_name_common '\g-lithium aluminate' _chemical_name_structure_type \g-LiAlO~2~ _chemical_name_systematic '\g-lithium aluminium dioxide' _space_group_IT_number 92 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 92 _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_space_group_name_H-M 'P 41 21 2' _atom_sites_solution_hydrogens notdet _atom_sites_solution_primary other _atom_sites_solution_secondary notdet _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.1965(2) _cell_length_b 5.1965(2) _cell_length_c 6.3464(3) _cell_measurement_temperature 1023 _cell_volume 171.376(12) _computing_cell_refinement 'JANA2006 (Pet\3\s(I) _cod_data_source_file cm5b04608_si_003.cif _cod_data_source_block lialo2-pow-750C _cod_depositor_comments 'Adding full bibliography for 4002658--4002660.cif.' _cod_original_cell_volume 171.376(15) _cod_original_formula_sum 'Al1 Li1 O2' _cod_database_code 4002658 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z+1/2 3 -y+1/2,x+1/2,z+1/4 4 y+1/2,-x+1/2,z+3/4 5 -x+1/2,y+1/2,-z+1/4 6 x+1/2,-y+1/2,-z+3/4 7 y,x,-z 8 -y,-x,-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 Li1 Li 0.8161(15) 0.8161(15) 0 Uani 0.112(6) 4 1 d Al1 Al 0.1748(5) 0.1748(5) 0 Uani 0.0231(11) 4 1 d O1 O 0.3403(3) 0.2870(3) 0.7762(3) Uani 0.0292(7) 8 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 0.090(6) 0.090(6) 0.157(15) 0.001(7) 0.012(5) -0.012(5) Al1 Al 0.0232(14) 0.0232(14) 0.023(3) 0.0045(19) 0.0102(17) -0.0102(17) O1 O 0.0244(11) 0.0417(13) 0.0214(10) -0.0026(9) 0.0018(8) 0.0059(14) loop_ _atom_type_symbol _atom_type_scat_length_neutron _atom_type_scat_source Al 3.449 International_Tables_Vol_C Li -1.900 International_Tables_Vol_C O 5.803 International_Tables_Vol_C 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_3 _geom_angle O1 Li1 O1 2_664 3_654 110.4(2) O1 Li1 O1 2_664 6_565 111.1(3) O1 Li1 O1 2_664 8_665 123.2(4) O1 Li1 O1 3_654 6_565 83.4(3) O1 Li1 O1 3_654 8_665 111.1(3) O1 Li1 O1 6_565 8_665 110.4(2) O1 Al1 O1 1_554 3_544 110.42(14) O1 Al1 O1 1_554 6_455 111.69(12) O1 Al1 O1 1_554 7_556 109.09(17) O1 Al1 O1 3_544 6_455 103.46(16) O1 Al1 O1 3_544 7_556 111.69(12) O1 Al1 O1 6_455 7_556 110.42(14) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance Li1 O1 2_664 2.006(4) Li1 O1 3_654 2.073(8) Li1 O1 6_565 2.073(8) Li1 O1 8_665 2.006(4) Al1 O1 1_554 1.760(3) Al1 O1 3_544 1.757(3) Al1 O1 6_455 1.757(3) Al1 O1 7_556 1.760(3) loop_ _pd_proc_point_id _pd_proc_2theta_corrected _pd_proc_intensity_net _pd_calc_intensity_net _pd_proc_ls_weight 1 15.1613 551.10 540.98 23.48 2 15.2363 552.71 542.46 23.51 3 15.3113 608.72 543.91 24.67 4 15.3863 572.40 545.34 23.92 5 15.4613 548.15 546.76 23.41 6 15.5363 548.96 548.16 23.43 7 15.6113 565.41 549.54 23.78 8 15.6863 559.06 550.90 23.64 9 15.7613 568.95 552.24 23.85 10 15.8363 518.80 553.56 22.78 11 15.9113 519.59 554.87 22.79 12 15.9863 509.59 556.16 22.57 13 16.0613 531.81 557.43 23.06 14 16.1363 551.39 558.69 23.48 15 16.2113 567.98 559.93 23.83 16 16.2863 571.40 561.16 23.90 17 16.3613 514.46 562.36 22.68 18 16.4363 571.33 563.56 23.90 19 16.5113 569.40 564.73 23.86 20 16.5863 612.40 565.90 24.75 21 16.6613 569.41 567.04 23.86 22 16.7363 535.06 568.17 23.13 23 16.8113 535.61 569.29 23.14 24 16.8863 568.26 570.39 23.84 25 16.9613 596.03 571.48 24.41 26 17.0363 626.29 572.55 25.03 27 17.1113 565.21 573.61 23.77 28 17.1863 613.32 574.66 24.77 29 17.2613 588.69 575.69 24.26 30 17.3363 549.37 576.72 23.44 31 17.4113 589.36 577.72 24.28 32 17.4863 569.04 578.72 23.85 33 17.5613 582.03 579.70 24.13 34 17.6363 594.95 580.69 24.39 35 17.7113 581.88 581.65 24.12 36 17.7863 533.44 582.60 23.10 37 17.8613 528.44 583.53 22.99 38 17.9363 606.02 584.46 24.62 39 18.0113 577.38 585.37 24.03 40 18.0863 584.11 586.27 24.17 41 18.1613 622.77 587.16 24.96 42 18.2363 584.90 588.04 24.18 43 18.3113 577.39 588.91 24.03 44 18.3863 570.78 589.76 23.89 45 18.4613 571.71 590.61 23.91 46 18.5363 601.48 591.45 24.53 47 18.6113 603.26 592.28 24.56 48 18.6863 622.55 593.10 24.95 49 18.7613 594.76 593.91 24.39 50 18.8363 602.77 594.71 24.55 51 18.9113 598.85 595.50 24.47 52 18.9863 638.36 596.28 25.27 53 19.0613 638.86 597.06 25.28 54 19.1363 643.08 597.83 25.36 55 19.2113 629.99 598.58 25.10 56 19.2863 593.00 599.33 24.35 57 19.3613 576.01 600.08 24.00 58 19.4363 567.76 600.81 23.83 59 19.5113 555.01 601.54 23.56 60 19.5863 547.75 602.26 23.40 61 19.6613 639.96 602.97 25.30 62 19.7363 604.01 603.68 24.58 63 19.8113 683.91 604.38 26.15 64 19.8863 614.63 605.07 24.79 65 19.9613 571.07 605.76 23.90 66 20.0363 573.90 606.54 23.96 67 20.1113 616.02 607.43 24.82 68 20.1863 562.59 608.30 23.72 69 20.2613 596.63 609.17 24.43 70 20.3363 590.00 610.04 24.29 71 20.4113 551.26 610.90 23.48 72 20.4863 564.43 611.76 23.76 73 20.5613 647.56 612.61 25.45 74 20.6363 629.23 613.46 25.08 75 20.7113 597.20 614.30 24.44 76 20.7863 624.43 615.14 24.99 77 20.8613 614.09 615.98 24.78 78 20.9363 622.61 616.81 24.95 79 21.0113 649.47 617.65 25.48 80 21.0863 597.68 618.47 24.45 81 21.1613 641.58 619.30 25.33 82 21.2363 606.99 620.13 24.64 83 21.3113 640.22 620.95 25.30 84 21.3863 620.24 621.77 24.90 85 21.4613 619.44 622.59 24.89 86 21.5363 642.82 623.41 25.35 87 21.6113 655.43 624.24 25.60 88 21.6863 637.75 625.06 25.25 89 21.7613 618.03 625.88 24.86 90 21.8363 639.15 626.71 25.28 91 21.9113 702.37 627.53 26.50 92 21.9863 670.21 628.36 25.89 93 22.0613 680.50 629.20 26.09 94 22.1363 685.55 630.04 26.18 95 22.2113 653.55 630.88 25.56 96 22.2863 666.43 631.73 25.82 97 22.3613 641.32 632.58 25.32 98 22.4363 625.13 633.45 25.00 99 22.5113 611.10 634.43 24.72 100 22.5863 614.56 635.32 24.79 101 22.6613 635.10 636.21 25.20 102 22.7363 623.75 637.12 24.98 103 22.8113 636.77 638.04 25.23 104 22.8863 631.37 638.98 25.13 105 22.9613 623.37 639.94 24.97 106 23.0363 619.31 640.92 24.89 107 23.1113 611.64 641.92 24.73 108 23.1863 571.22 642.95 23.90 109 23.2613 602.41 644.01 24.54 110 23.3363 604.75 645.10 24.59 111 23.4113 617.72 646.24 24.85 112 23.4863 660.39 647.42 25.70 113 23.5613 614.50 648.64 24.79 114 23.6363 616.05 649.93 24.82 115 23.7113 643.96 650.79 25.38 116 23.7863 637.59 651.64 25.25 117 23.8613 639.18 652.58 25.28 118 23.9363 639.47 653.62 25.29 119 24.0113 642.18 654.78 25.34 120 24.0863 647.05 656.07 25.44 121 24.1613 650.78 657.53 25.51 122 24.2363 631.62 659.18 25.13 123 24.3113 653.50 661.07 25.56 124 24.3863 668.85 663.22 25.86 125 24.4613 640.46 665.72 25.31 126 24.5363 656.41 668.61 25.62 127 24.6113 674.46 672.01 25.97 128 24.6863 682.82 676.04 26.13 129 24.7613 697.01 680.90 26.40 130 24.8363 662.44 686.96 25.74 131 24.9113 700.13 695.05 26.46 132 24.9863 713.52 707.28 26.71 133 25.0613 791.09 728.82 28.13 134 25.1363 896.98 771.37 29.95 135 25.2113 998.86 858.28 31.60 136 25.2863 1208.96 1029.49 34.77 137 25.3613 1552.72 1341.32 39.40 138 25.4363 2035.40 1854.28 45.12 139 25.5113 2704.47 2604.69 52.00 140 25.5863 3572.92 3566.29 59.77 141 25.6613 4521.01 4620.23 67.24 142 25.7363 5383.59 5554.82 73.37 143 25.8113 5843.90 6112.63 76.45 144 25.8863 6029.04 6101.63 77.65 145 25.9613 5542.01 5524.69 74.44 146 26.0363 4672.57 4576.24 68.36 147 26.1113 3606.63 3514.58 60.06 148 26.1863 2585.41 2553.16 50.85 149 26.2613 1825.38 1810.76 42.72 150 26.3363 1274.92 1310.14 35.71 151 26.4113 975.06 1010.47 31.23 152 26.4863 841.81 848.46 29.01 153 26.5613 746.41 767.21 27.32 154 26.6363 769.84 727.62 27.75 155 26.7113 737.83 707.49 27.16 156 26.7863 666.97 695.94 25.83 157 26.8613 698.65 688.25 26.43 158 26.9363 701.26 682.52 26.48 159 27.0113 675.44 677.98 25.99 160 27.0863 679.82 674.29 26.07 161 27.1613 680.35 671.27 26.08 162 27.2363 677.24 668.79 26.02 163 27.3113 692.18 666.78 26.31 164 27.3863 668.91 665.20 25.86 165 27.4613 654.02 664.09 25.57 166 27.5363 643.12 663.67 25.36 167 27.6113 668.76 664.48 25.86 168 27.6863 666.80 667.74 25.82 169 27.7613 672.54 675.66 25.93 170 27.8363 681.89 691.57 26.11 171 27.9113 723.41 719.34 26.90 172 27.9863 749.58 761.68 27.38 173 28.0613 817.03 817.64 28.58 174 28.1363 874.35 880.49 29.57 175 28.2113 918.91 937.46 30.31 176 28.2863 904.90 972.60 30.08 177 28.3613 939.81 973.47 30.66 178 28.4363 943.68 939.59 30.72 179 28.5113 879.94 882.78 29.66 180 28.5863 837.61 819.04 28.94 181 28.6613 805.22 761.42 28.38 182 28.7363 706.47 717.08 26.58 183 28.8113 664.45 687.31 25.78 184 28.8863 666.12 669.80 25.81 185 28.9613 667.75 660.23 25.84 186 29.0363 657.92 655.40 25.65 187 29.1113 633.36 653.01 25.17 188 29.1863 635.58 651.74 25.21 189 29.2613 675.02 650.97 25.98 190 29.3363 664.15 650.44 25.77 191 29.4113 669.43 650.03 25.87 192 29.4863 677.70 649.70 26.03 193 29.5613 647.52 649.43 25.45 194 29.6363 673.53 649.22 25.95 195 29.7113 665.45 649.05 25.80 196 29.7863 655.93 649.67 25.61 197 29.8613 646.19 650.50 25.42 198 29.9363 663.92 651.36 25.77 199 30.0113 665.95 652.25 25.81 200 30.0863 613.00 653.16 24.76 201 30.1613 634.78 654.10 25.19 202 30.2363 688.49 655.06 26.24 203 30.3113 663.75 656.04 25.76 204 30.3863 684.08 657.04 26.15 205 30.4613 664.32 658.06 25.77 206 30.5363 638.61 659.11 25.27 207 30.6113 633.71 660.18 25.17 208 30.6863 664.83 661.57 25.78 209 30.7613 676.65 662.70 26.01 210 30.8363 679.07 663.85 26.06 211 30.9113 689.22 665.03 26.25 212 30.9863 680.02 666.25 26.08 213 31.0613 664.99 667.51 25.79 214 31.1363 659.79 668.81 25.69 215 31.2113 660.71 670.16 25.70 216 31.2863 674.29 671.57 25.97 217 31.3613 680.80 673.05 26.09 218 31.4363 684.25 674.62 26.16 219 31.5113 665.53 676.28 25.80 220 31.5863 686.07 678.06 26.19 221 31.6613 659.68 680.00 25.68 222 31.7363 644.13 682.12 25.38 223 31.8113 658.51 684.50 25.66 224 31.8863 669.48 687.24 25.87 225 31.9613 653.06 690.61 25.56 226 32.0363 679.85 695.26 26.07 227 32.1113 686.08 702.87 26.19 228 32.1863 728.39 717.34 26.99 229 32.2613 728.23 746.58 26.99 230 32.3363 785.46 804.06 28.03 231 32.4113 863.12 907.91 29.38 232 32.4863 1038.39 1074.94 32.22 233 32.5613 1197.13 1308.87 34.60 234 32.6363 1438.99 1587.45 37.93 235 32.7113 1737.86 1857.59 41.69 236 32.7863 1903.23 2045.43 43.63 237 32.8613 2011.22 2085.23 44.85 238 32.9363 2027.02 1961.94 45.02 239 33.0113 1834.67 1724.28 42.83 240 33.0863 1559.06 1447.25 39.49 241 33.1613 1244.90 1193.39 35.28 242 33.2363 1023.25 997.38 31.99 243 33.3113 909.16 866.31 30.15 244 33.3863 756.95 789.22 27.51 245 33.4613 760.37 748.80 27.57 246 33.5363 717.81 729.53 26.79 247 33.6113 734.68 720.89 27.11 248 33.6863 727.16 717.05 26.97 249 33.7613 723.01 715.26 26.89 250 33.8363 713.08 714.39 26.70 251 33.9113 714.56 713.98 26.73 252 33.9863 735.83 713.87 27.13 253 34.0613 729.71 713.98 27.01 254 34.1363 744.79 714.25 27.29 255 34.2113 728.03 714.66 26.98 256 34.2863 721.13 715.18 26.85 257 34.3613 723.50 716.22 26.90 258 34.4363 747.37 716.92 27.34 259 34.5113 733.70 717.68 27.09 260 34.5863 723.25 718.50 26.89 261 34.6613 728.05 719.36 26.98 262 34.7363 748.79 720.27 27.36 263 34.8113 761.90 721.21 27.60 264 34.8863 735.33 722.19 27.12 265 34.9613 750.13 723.20 27.39 266 35.0363 738.70 724.23 27.18 267 35.1113 724.27 725.29 26.91 268 35.1863 750.59 726.37 27.40 269 35.2613 742.87 727.47 27.26 270 35.3363 710.71 728.60 26.66 271 35.4113 690.37 729.74 26.27 272 35.4863 733.70 730.90 27.09 273 35.5613 736.34 731.34 27.14 274 35.6363 722.24 731.63 26.87 275 35.7113 751.40 731.94 27.41 276 35.7863 707.26 732.27 26.59 277 35.8613 715.34 732.61 26.75 278 35.9363 719.46 732.98 26.82 279 36.0113 712.84 733.61 26.70 280 36.0863 701.80 734.02 26.49 281 36.1613 681.51 734.46 26.11 282 36.2363 714.02 734.92 26.72 283 36.3113 726.01 735.41 26.94 284 36.3863 729.42 735.93 27.01 285 36.4613 742.17 736.48 27.24 286 36.5363 746.77 737.07 27.33 287 36.6113 724.96 737.70 26.93 288 36.6863 731.75 738.37 27.05 289 36.7613 720.55 738.68 26.84 290 36.8363 736.77 739.46 27.14 291 36.9113 753.30 740.31 27.45 292 36.9863 706.47 742.21 26.58 293 37.0613 730.45 745.09 27.03 294 37.1363 751.11 748.07 27.41 295 37.2113 739.23 751.16 27.19 296 37.2863 717.06 754.40 26.78 297 37.3613 725.96 757.80 26.94 298 37.4363 742.20 761.40 27.24 299 37.5113 779.13 765.25 27.91 300 37.5863 813.40 769.40 28.52 301 37.6613 830.57 773.94 28.82 302 37.7363 798.31 778.99 28.25 303 37.8113 775.81 784.73 27.85 304 37.8863 779.12 791.54 27.91 305 37.9613 813.55 800.33 28.52 306 38.0363 821.39 813.52 28.66 307 38.1113 840.24 837.25 28.99 308 38.1863 917.93 885.29 30.30 309 38.2613 1016.02 983.91 31.88 310 38.3363 1163.01 1172.97 34.10 311 38.4113 1503.30 1495.72 38.77 312 38.4863 1913.93 1971.87 43.75 313 38.5613 2631.90 2562.34 51.30 314 38.6363 3269.39 3151.35 57.18 315 38.7113 3647.62 3567.93 60.40 316 38.7863 3785.15 3656.48 61.52 317 38.8613 3431.98 3382.00 58.58 318 38.9363 2836.03 2864.32 53.25 319 39.0113 2327.16 2278.59 48.24 320 39.0863 1710.74 1759.76 41.36 321 39.1613 1306.06 1373.53 36.14 322 39.2363 1114.00 1125.48 33.38 323 39.3113 1003.80 986.42 31.68 324 39.3863 937.87 918.06 30.62 325 39.4613 895.64 888.72 29.93 326 39.5363 896.30 878.59 29.94 327 39.6113 908.19 877.71 30.14 328 39.6863 901.96 882.64 30.03 329 39.7613 915.44 894.79 30.26 330 39.8363 973.19 921.58 31.20 331 39.9113 1039.50 980.99 32.24 332 39.9863 1110.63 1107.25 33.33 333 40.0613 1340.60 1351.44 36.61 334 40.1363 1701.87 1766.08 41.25 335 40.2113 2463.70 2368.19 49.64 336 40.2863 3254.87 3094.87 57.05 337 40.3613 4005.43 3786.48 63.29 338 40.4363 4387.24 4225.33 66.24 339 40.5113 4291.15 4236.85 65.51 340 40.5863 3862.62 3820.17 62.15 341 40.6613 3129.61 3153.56 55.94 342 40.7363 2369.56 2450.53 48.68 343 40.8113 1686.10 1857.43 41.06 344 40.8863 1329.93 1433.34 36.47 345 40.9613 1065.28 1170.35 32.64 346 41.0363 964.05 1026.84 31.05 347 41.1113 892.74 956.72 29.88 348 41.1863 906.69 925.04 30.11 349 41.2613 881.20 911.00 29.68 350 41.3363 889.47 904.37 29.82 351 41.4113 894.93 900.87 29.92 352 41.4863 881.38 898.89 29.69 353 41.5613 890.81 897.83 29.85 354 41.6363 896.10 897.40 29.93 355 41.7113 895.28 896.14 29.92 356 47.5613 930.23 939.78 30.50 357 47.6363 927.80 939.81 30.46 358 47.7113 930.56 936.40 30.50 359 47.7863 929.82 933.24 30.49 360 47.8613 920.71 930.52 30.34 361 47.9363 907.98 928.62 30.13 362 48.0113 982.38 928.71 31.34 363 48.0863 923.65 933.68 30.39 364 48.1613 924.25 949.70 30.40 365 48.2363 976.93 987.21 31.26 366 48.3113 1093.99 1058.55 33.08 367 48.3863 1124.96 1169.82 33.54 368 48.4613 1315.66 1309.24 36.27 369 48.5363 1468.72 1441.79 38.32 370 48.6113 1603.58 1518.29 40.04 371 48.6863 1600.31 1502.44 40.00 372 48.7613 1396.68 1401.14 37.37 373 48.8363 1253.75 1260.05 35.41 374 48.9113 1101.58 1123.52 33.19 375 48.9863 1040.11 1016.10 32.25 376 49.0613 951.23 943.44 30.84 377 49.1363 905.76 899.84 30.10 378 49.2113 852.34 875.66 29.19 379 49.2863 853.11 862.30 29.21 380 49.3613 852.70 854.09 29.20 381 49.4363 866.04 848.04 29.43 382 49.5113 848.71 843.96 29.13 383 49.5863 847.64 842.95 29.11 384 49.6613 886.81 842.16 29.78 385 49.7363 881.46 841.51 29.69 386 49.8113 839.02 840.97 28.97 387 49.8863 835.57 840.59 28.91 388 49.9613 830.94 840.21 28.83 389 50.0363 830.31 840.06 28.82 390 50.1113 841.94 839.80 29.02 391 50.1863 836.37 839.57 28.92 392 50.2613 837.92 839.38 28.95 393 50.3363 814.87 839.21 28.55 394 50.4113 835.56 838.77 28.91 395 50.4863 851.80 838.65 29.19 396 50.5613 853.38 838.55 29.21 397 50.6363 860.12 838.47 29.33 398 50.7113 859.06 838.40 29.31 399 50.7863 852.98 838.34 29.21 400 50.8613 900.05 838.29 30.00 401 50.9363 868.58 838.24 29.47 402 51.0113 830.83 838.08 28.82 403 51.0863 835.40 837.68 28.90 404 51.1613 830.64 837.28 28.82 405 51.2363 851.97 836.90 29.19 406 51.3113 861.72 836.52 29.36 407 51.3863 861.57 836.15 29.35 408 51.4613 813.72 835.78 28.53 409 51.5363 817.71 835.42 28.60 410 51.6113 804.95 835.06 28.37 411 51.6863 837.48 834.71 28.94 412 51.7613 816.53 834.37 28.57 413 51.8363 850.19 834.03 29.16 414 51.9113 852.09 833.70 29.19 415 51.9863 854.80 833.39 29.24 416 52.0613 846.33 833.08 29.09 417 52.1363 827.15 832.78 28.76 418 52.2113 850.54 832.51 29.16 419 52.2863 841.61 832.26 29.01 420 52.3613 844.60 832.05 29.06 421 52.4363 860.38 831.93 29.33 422 52.5113 846.39 832.03 29.09 423 52.5863 842.17 832.68 29.02 424 52.6613 836.40 834.59 28.92 425 52.7363 816.41 838.86 28.57 426 52.8113 841.31 846.72 29.01 427 52.8863 860.91 858.41 29.34 428 52.9613 864.49 872.02 29.40 429 53.0363 877.62 883.28 29.62 430 53.1113 909.74 887.30 30.16 431 53.1863 918.29 881.88 30.30 432 53.2613 865.07 869.85 29.41 433 53.3363 859.28 856.29 29.31 434 53.4113 841.12 844.73 29.00 435 53.4863 867.73 836.50 29.46 436 53.5613 862.13 831.38 29.36 437 53.6363 795.27 828.09 28.20 438 53.7113 861.39 826.58 29.35 439 53.7863 838.47 825.73 28.96 440 53.8613 832.88 825.18 28.86 441 53.9363 832.56 824.75 28.85 442 54.0113 854.92 824.38 29.24 443 54.0863 851.43 824.07 29.18 444 54.1613 817.81 823.86 28.60 445 54.2363 842.33 823.79 29.02 446 54.3113 856.94 823.96 29.27 447 54.3863 870.44 824.36 29.50 448 54.4613 866.25 824.88 29.43 449 54.5363 867.95 825.26 29.46 450 54.6113 843.10 825.21 29.04 451 54.6863 790.63 824.63 28.12 452 54.7613 788.32 823.69 28.08 453 54.8363 811.14 823.46 28.48 454 54.9113 827.23 823.78 28.76 455 54.9863 848.30 824.31 29.13 456 55.0613 829.19 824.79 28.80 457 55.1363 845.77 825.66 29.08 458 55.2113 849.78 826.62 29.15 459 55.2863 808.88 827.65 28.44 460 55.3613 803.63 828.71 28.35 461 55.4363 853.43 829.82 29.21 462 55.5113 866.04 830.97 29.43 463 55.5863 845.22 832.16 29.07 464 55.6613 836.47 833.41 28.92 465 55.7363 820.79 834.71 28.65 466 55.8113 827.47 836.09 28.77 467 55.8863 848.50 837.56 29.13 468 55.9613 866.71 839.14 29.44 469 56.0363 844.79 840.84 29.07 470 56.1113 826.25 842.71 28.74 471 56.1863 847.46 844.78 29.11 472 56.2613 870.13 847.11 29.50 473 56.3363 865.10 849.79 29.41 474 56.4113 819.91 852.96 28.63 475 56.4863 856.61 856.85 29.27 476 56.5613 881.78 861.98 29.69 477 56.6363 865.97 869.76 29.43 478 56.7113 873.38 884.22 29.55 479 56.7863 925.03 915.36 30.41 480 56.8613 978.17 984.72 31.28 481 56.9363 1081.05 1126.25 32.88 482 57.0113 1337.09 1372.33 36.57 483 57.0863 1663.88 1719.52 40.79 484 57.1613 2067.27 2094.88 45.47 485 57.2363 2407.88 2363.66 49.07 486 57.3113 2378.19 2397.15 48.77 487 57.3863 2178.38 2179.63 46.67 488 57.4613 1815.37 1832.72 42.61 489 57.5363 1437.07 1493.38 37.91 490 57.6113 1197.42 1233.34 34.60 491 57.6863 1040.93 1065.84 32.26 492 57.7613 963.87 973.46 31.05 493 57.8363 943.52 930.35 30.72 494 57.9113 879.79 914.89 29.66 495 57.9863 896.16 914.80 29.94 496 58.0613 909.66 927.66 30.16 497 58.1363 956.43 962.41 30.93 498 58.2113 1009.81 1041.73 31.78 499 58.2863 1140.00 1202.29 33.76 500 58.3613 1375.81 1482.77 37.09 501 58.4363 1794.04 1893.71 42.36 502 58.5113 2310.63 2379.07 48.07 503 58.5863 2866.99 2803.83 53.54 504 58.6613 3180.59 3006.33 56.40 505 58.7363 2903.64 2893.82 53.89 506 58.8113 2483.17 2512.55 49.83 507 58.8863 2057.78 2029.94 45.36 508 58.9613 1583.98 1599.23 39.80 509 59.0363 1241.12 1286.78 35.23 510 59.1113 1074.84 1092.49 32.78 511 59.1863 990.51 986.73 31.47 512 59.2613 925.95 935.42 30.43 513 59.3363 881.62 912.32 29.69 514 59.4113 868.57 901.73 29.47 515 59.4863 867.99 896.12 29.46 516 59.5613 882.24 892.53 29.70 517 59.6363 810.21 889.92 28.46 518 59.7113 869.40 887.95 29.49 519 59.7863 846.32 886.47 29.09 520 59.8613 881.65 885.38 29.69 521 59.9363 841.62 884.61 29.01 522 60.0113 812.49 884.09 28.50 523 60.0863 831.74 883.79 28.84 524 60.1613 860.85 883.68 29.34 525 60.2363 849.16 883.72 29.14 526 60.3113 863.67 882.34 29.39 527 60.3863 883.63 880.58 29.73 528 60.4613 840.47 878.98 28.99 529 60.5363 844.49 877.78 29.06 530 60.6113 878.50 876.84 29.64 531 60.6863 920.55 876.83 30.34 532 60.7613 898.09 879.33 29.97 533 60.8363 859.83 886.81 29.32 534 60.9113 877.47 903.54 29.62 535 60.9863 919.18 932.52 30.32 536 61.0613 1004.29 971.05 31.69 537 61.1363 1027.41 1007.83 32.05 538 61.2113 1051.81 1026.32 32.43 539 61.2863 1035.02 1015.52 32.17 540 61.3613 971.16 981.35 31.16 541 61.4363 938.63 940.73 30.64 542 61.5113 874.26 906.10 29.57 543 61.5863 883.91 881.66 29.73 544 61.6613 853.93 866.53 29.22 545 61.7363 817.39 857.97 28.59 546 61.8113 826.17 853.23 28.74 547 61.8863 837.00 850.34 28.93 548 61.9613 885.11 848.21 29.75 549 62.0363 882.93 846.38 29.71 550 62.1113 875.74 844.68 29.59 551 62.1863 872.64 843.05 29.54 552 62.2613 875.04 841.46 29.58 553 62.3363 865.14 839.93 29.41 554 62.4113 827.12 839.20 28.76 555 62.4863 837.05 843.11 28.93 556 62.5613 900.43 847.05 30.01 557 62.6363 867.92 851.01 29.46 558 62.7113 836.25 854.99 28.92 559 62.7863 826.14 859.00 28.74 560 62.8613 858.80 863.02 29.31 561 62.9363 862.67 867.07 29.37 562 63.0113 916.49 871.13 30.27 563 63.0863 945.29 875.22 30.75 564 63.1613 902.32 879.33 30.04 565 63.2363 907.59 883.46 30.13 566 63.3113 934.20 887.61 30.56 567 63.3863 883.54 891.80 29.72 568 63.4613 859.46 895.66 29.32 569 63.5363 878.57 896.53 29.64 570 67.8113 970.40 951.40 31.15 571 67.8863 956.20 953.80 30.92 572 67.9613 961.63 957.10 31.01 573 68.0363 930.78 961.51 30.51 574 68.1113 965.57 967.76 31.07 575 68.1863 956.16 977.45 30.92 576 68.2613 963.64 995.09 31.04 577 68.3363 973.33 1032.93 31.20 578 68.4113 1084.76 1118.86 32.94 579 68.4863 1292.91 1300.73 35.96 580 68.5613 1601.87 1630.90 40.02 581 68.6363 2130.12 2121.46 46.15 582 68.7113 2585.95 2699.79 50.85 583 68.7863 3216.26 3211.19 56.71 584 68.8613 3537.79 3491.96 59.48 585 68.9363 3525.83 3479.41 59.38 586 69.0113 3141.67 3196.01 56.05 587 69.0863 2672.63 2699.61 51.70 588 69.1613 2201.94 2139.40 46.92 589 69.2363 1720.38 1670.45 41.48 590 69.3113 1395.14 1349.16 37.35 591 69.3863 1214.65 1158.14 34.85 592 69.4613 1126.42 1056.76 33.56 593 69.5363 1044.66 1008.07 32.32 594 69.6113 1027.13 986.60 32.05 595 69.6863 967.51 978.86 31.10 596 69.7613 1017.35 980.83 31.90 597 69.8363 972.71 994.06 31.19 598 69.9113 1071.14 1020.30 32.73 599 69.9863 1046.44 1055.19 32.35 600 70.0613 1106.51 1085.21 33.26 601 70.1363 1078.46 1093.44 32.84 602 70.2113 1050.85 1073.23 32.42 603 70.2863 1009.46 1036.87 31.77 604 70.3613 1014.11 1001.57 31.85 605 70.4363 1001.93 975.52 31.65 606 70.5113 971.26 959.31 31.17 607 70.5863 948.67 950.50 30.80 608 70.6613 937.24 946.33 30.61 609 70.7363 933.78 944.64 30.56 610 70.8113 925.93 944.14 30.43 611 70.8863 923.63 944.22 30.39 612 70.9613 903.11 944.80 30.05 613 71.0363 926.96 945.85 30.45 614 71.1113 949.03 947.23 30.81 615 71.1863 971.83 948.98 31.17 616 71.2613 982.99 951.17 31.35 617 71.3363 964.01 953.87 31.05 618 71.4113 987.30 957.31 31.42 619 71.4863 1006.43 961.48 31.72 620 71.5613 962.37 966.76 31.02 621 71.6363 964.89 973.59 31.06 622 71.7113 969.72 982.71 31.14 623 71.7863 1005.91 995.64 31.72 624 71.8613 982.81 1016.14 31.35 625 71.9363 1040.19 1055.24 32.25 626 72.0113 1135.83 1143.83 33.70 627 72.0863 1281.63 1353.39 35.80 628 72.1613 1702.12 1803.97 41.26 629 72.2363 2405.07 2606.65 49.04 630 72.3113 3540.01 3714.56 59.50 631 72.3863 4667.39 4796.02 68.32 632 72.4613 5186.41 5332.24 72.02 633 72.5363 4999.90 4989.61 70.71 634 72.6113 4080.73 4008.26 63.88 635 72.6863 3086.60 2936.93 55.56 636 72.7613 2140.99 2102.42 46.27 637 72.8363 1588.07 1563.94 39.85 638 72.9113 1317.13 1261.29 36.29 639 72.9863 1184.89 1110.63 34.42 640 73.0613 1123.41 1042.38 33.52 641 73.1363 1092.82 1011.67 33.06 642 73.2113 1046.46 995.72 32.35 643 73.2863 1019.72 985.37 31.93 644 73.3613 1013.11 977.55 31.83 645 73.4363 1053.33 971.31 32.46 646 73.5113 1010.01 966.25 31.78 647 73.5863 994.68 962.05 31.54 648 73.6613 950.80 958.70 30.84 649 73.7363 970.24 955.95 31.15 650 73.8113 995.86 953.70 31.56 651 73.8863 994.53 951.84 31.54 652 73.9613 985.78 950.30 31.40 653 74.0363 978.19 949.03 31.28 654 74.1113 959.81 947.98 30.98 655 74.1863 930.52 947.12 30.50 656 74.2613 985.84 946.41 31.40 657 74.3363 959.21 945.85 30.97 658 74.4113 985.75 945.40 31.40 659 74.4863 975.62 945.06 31.24 660 74.5613 936.24 944.82 30.60 661 74.6363 923.21 944.68 30.38 662 74.7113 961.85 944.62 31.01 663 74.7863 951.91 944.56 30.85 664 74.8613 939.77 945.61 30.66 665 74.9363 928.92 946.83 30.48 666 75.0113 958.56 948.22 30.96 667 75.0863 977.34 949.96 31.26 668 75.1613 947.85 951.63 30.79 669 75.2363 954.96 953.52 30.90 670 75.3113 931.05 955.71 30.51 671 75.3863 960.71 958.41 31.00 672 75.4613 938.45 962.16 30.63 673 75.5363 936.57 968.54 30.60 674 75.6113 1006.48 981.74 31.73 675 75.6863 992.12 1010.49 31.50 676 75.7613 1041.11 1067.04 32.27 677 75.8363 1126.39 1158.18 33.56 678 75.9113 1306.29 1270.01 36.14 679 75.9863 1380.13 1362.68 37.15 680 76.0613 1345.82 1389.77 36.69 681 76.1363 1317.97 1339.03 36.30 682 76.2113 1204.31 1246.74 34.70 683 76.2863 1122.36 1153.77 33.50 684 76.3613 1081.01 1081.42 32.88 685 76.4363 1024.02 1034.74 32.00 686 76.5113 1009.78 1009.51 31.78 687 76.5863 1027.37 999.21 32.05 688 76.6613 994.69 999.70 31.54 689 76.7363 1037.18 1012.21 32.21 690 76.8113 1037.41 1045.26 32.21 691 76.8863 1102.40 1112.19 33.20 692 76.9613 1207.26 1218.58 34.75 693 77.0363 1360.55 1343.36 36.89 694 77.1113 1390.98 1434.98 37.30 695 77.1863 1432.73 1439.88 37.85 696 77.2613 1363.98 1354.98 36.93 697 77.3363 1225.19 1236.77 35.00 698 77.4113 1185.04 1136.46 34.42 699 77.4863 1120.66 1069.79 33.48 700 77.5613 1050.83 1031.67 32.42 701 77.6363 1041.11 1012.66 32.27 702 77.7113 994.75 1004.57 31.54 703 77.7863 1050.80 1001.76 32.42 704 77.8613 1033.65 1001.12 32.15 705 77.9363 1010.86 1001.29 31.79 706 78.0113 968.44 1001.83 31.12 707 78.0863 1037.66 1002.60 32.21 708 78.1613 1037.03 1003.56 32.20 709 78.2363 978.17 1005.52 31.28 710 78.3113 1032.72 1008.74 32.14 711 78.3863 1052.43 1011.74 32.44 712 78.4613 1045.13 1014.99 32.33 713 78.5363 1007.89 1018.36 31.75 714 78.6113 998.27 1021.96 31.60 715 78.6863 1085.84 1025.87 32.95 716 78.7613 1009.65 1030.24 31.78 717 78.8363 1015.00 1035.35 31.86 718 78.9113 1040.75 1041.95 32.26 719 78.9863 1053.47 1052.17 32.46 720 79.0613 1062.25 1071.97 32.59 721 79.1363 1084.44 1114.76 32.93 722 79.2113 1149.76 1201.72 33.91 723 79.2863 1335.87 1348.89 36.55 724 79.3613 1539.61 1539.14 39.24 725 79.4363 1695.06 1705.60 41.17 726 79.5113 1769.60 1758.54 42.07 727 79.5863 1656.42 1663.10 40.70 728 79.6613 1496.97 1487.61 38.69 729 79.7363 1275.96 1324.05 35.72 730 79.8113 1113.25 1210.29 33.37 731 79.8863 1101.01 1143.51 33.18 732 79.9613 1088.60 1109.37 32.99 733 80.0363 1055.13 1094.66 32.48 734 80.1113 1015.97 1089.90 31.87 735 80.1863 1079.15 1089.21 32.85 736 85.5863 1222.23 1252.97 34.96 737 85.6613 1283.53 1260.29 35.83 738 85.7363 1279.93 1266.63 35.78 739 85.8113 1231.59 1277.56 35.09 740 85.8863 1247.13 1297.65 35.31 741 85.9613 1285.72 1340.62 35.86 742 86.0363 1399.79 1441.38 37.41 743 86.1113 1633.26 1671.10 40.41 744 86.1863 2118.97 2127.71 46.03 745 86.2613 2909.02 2861.82 53.94 746 86.3363 3769.49 3757.58 61.40 747 86.4113 4572.15 4493.52 67.62 748 86.4863 4764.78 4701.31 69.03 749 86.5613 4343.29 4286.39 65.90 750 86.6363 3588.33 3531.56 59.90 751 86.7113 2710.47 2755.30 52.06 752 86.7863 2163.19 2138.52 46.51 753 86.8613 1734.61 1730.74 41.65 754 86.9363 1453.93 1497.08 38.13 755 87.0113 1365.22 1380.69 36.95 756 87.0863 1336.91 1337.33 36.56 757 87.1613 1307.00 1348.98 36.15 758 87.2363 1385.30 1433.12 37.22 759 87.3113 1581.12 1652.13 39.76 760 87.3863 2163.20 2098.50 46.51 761 87.4613 2902.14 2815.13 53.87 762 87.5363 3749.38 3667.70 61.23 763 87.6113 4310.75 4309.79 65.66 764 87.6863 4264.86 4365.32 65.31 765 87.7613 3690.19 3776.74 60.75 766 87.8363 2986.14 2926.71 54.65 767 87.9113 2211.60 2203.69 47.03 768 87.9863 1707.67 1723.83 41.32 769 88.0613 1484.19 1443.43 38.53 770 88.1363 1339.86 1292.00 36.60 771 88.2113 1229.44 1215.70 35.06 772 88.2863 1162.27 1178.33 34.09 773 88.3613 1146.53 1158.15 33.86 774 88.4363 1138.18 1144.60 33.74 775 88.5113 1060.41 1133.67 32.56 776 88.5863 1048.63 1124.15 32.38 777 88.6613 1112.16 1117.02 33.35 778 88.7363 1060.94 1110.88 32.57 779 88.8113 1150.78 1105.47 33.92 780 88.8863 1126.83 1100.69 33.57 781 88.9613 1084.60 1096.41 32.93 782 89.0363 1045.87 1092.59 32.34 783 89.1113 1096.42 1089.13 33.11 784 89.1863 1058.46 1086.02 32.53 785 89.2613 1042.10 1083.30 32.28 786 89.3363 1058.28 1081.16 32.53 787 89.4113 1050.41 1080.12 32.41 788 89.4863 1076.37 1081.71 32.81 789 89.5613 1065.62 1088.28 32.64 790 89.6363 1083.01 1099.62 32.91 791 89.7113 1131.76 1113.80 33.64 792 89.7863 1140.85 1125.17 33.78 793 89.8613 1145.54 1127.11 33.85 794 89.9363 1113.32 1117.84 33.37 795 90.0113 1082.53 1103.39 32.90 796 90.0863 1061.15 1090.88 32.58 797 90.1613 1087.03 1082.91 32.97 798 90.2363 1069.57 1079.01 32.70 799 90.3113 1090.25 1078.30 33.02 800 90.3863 1075.40 1080.74 32.79 801 90.4613 1046.38 1088.18 32.35 802 90.5363 1130.21 1106.59 33.62 803 90.6113 1194.55 1148.97 34.56 804 90.6863 1241.93 1234.08 35.24 805 90.7613 1404.03 1373.06 37.47 806 90.8363 1615.58 1545.19 40.19 807 90.9113 1711.76 1686.89 41.37 808 90.9863 1703.95 1720.82 41.28 809 91.0613 1602.49 1621.12 40.03 810 91.1363 1479.01 1452.85 38.46 811 91.2113 1310.63 1300.31 36.20 812 91.2863 1208.45 1196.16 34.76 813 91.3613 1139.72 1134.50 33.76 814 91.4363 1106.68 1100.53 33.27 815 91.5113 1060.91 1083.40 32.57 816 91.5863 1048.68 1075.39 32.38 817 91.6613 1053.66 1071.78 32.46 818 91.7363 1043.11 1070.01 32.30 819 91.8113 1032.58 1069.03 32.13 820 91.8863 1080.80 1068.51 32.88 821 91.9613 1062.73 1068.38 32.60 822 92.0363 1051.08 1068.63 32.42 823 92.1113 1089.01 1069.61 33.00 824 92.1863 1070.37 1071.16 32.72 825 92.2613 1095.08 1073.25 33.09 826 92.3363 1049.44 1075.98 32.40 827 92.4113 1031.42 1079.56 32.12 828 92.4863 1106.39 1084.30 33.26 829 92.5613 1074.52 1090.88 32.78 830 92.6363 1138.13 1100.63 33.74 831 92.7113 1128.40 1117.01 33.59 832 92.7863 1172.23 1149.11 34.24 833 92.8613 1238.07 1218.03 35.19 834 92.9363 1480.29 1361.71 38.47 835 93.0113 1699.47 1624.11 41.22 836 93.0863 2111.23 2016.35 45.95 837 93.1613 2426.42 2472.16 49.26 838 93.2363 2788.34 2858.92 52.80 839 93.3113 3037.06 3068.11 55.11 840 93.3863 3083.40 3125.44 55.53 841 93.4613 3257.02 3147.65 57.07 842 93.5363 3127.10 3130.52 55.92 843 93.6113 2881.26 2941.75 53.68 844 93.6863 2476.23 2534.79 49.76 845 93.7613 2009.13 2058.37 44.82 846 93.8363 1671.95 1678.52 40.89 847 93.9113 1556.85 1444.53 39.46 848 93.9863 1409.98 1337.86 37.55 849 94.0613 1379.65 1340.68 37.14 850 94.1363 1580.79 1451.49 39.76 851 94.2113 1734.88 1657.29 41.65 852 94.2863 1939.77 1898.20 44.04 853 94.3613 2082.66 2065.61 45.64 854 94.4363 2014.05 2057.47 44.88 855 94.5113 1784.78 1868.89 42.25 856 94.5863 1602.01 1612.49 40.03 857 94.6613 1429.72 1397.41 37.81 858 94.7363 1306.26 1255.30 36.14 859 94.8113 1227.12 1171.25 35.03 860 94.8863 1107.26 1124.59 33.28 861 94.9613 1137.00 1099.72 33.72 862 95.0363 1094.85 1087.18 33.09 863 95.1113 1077.83 1080.69 32.83 864 95.1863 1093.57 1076.83 33.07 865 95.2613 1053.27 1074.09 32.45 866 95.3363 1064.31 1071.92 32.62 867 95.4113 1077.17 1070.19 32.82 868 95.4863 1021.24 1068.85 31.96 869 95.5613 1043.16 1067.95 32.30 870 95.6363 1107.85 1069.24 33.28 871 95.7113 1069.69 1070.87 32.71 872 95.7863 1133.90 1072.88 33.67 873 95.8613 1087.41 1075.32 32.98 874 95.9363 1044.98 1078.32 32.33 875 96.0113 1056.50 1081.71 32.50 876 96.0863 1081.23 1086.97 32.88 877 96.1613 1091.55 1095.21 33.04 878 96.2363 1118.23 1110.37 33.44 879 96.3113 1170.15 1140.99 34.21 880 96.3863 1250.39 1201.45 35.36 881 96.4613 1387.56 1307.67 37.25 882 96.5363 1531.54 1463.64 39.13 883 96.6113 1647.91 1645.93 40.59 884 96.6863 1836.31 1802.27 42.85 885 96.7613 1917.64 1874.61 43.79 886 96.8363 1848.27 1840.63 42.99 887 96.9113 1718.26 1727.13 41.45 888 96.9863 1501.57 1573.45 38.75 889 97.0613 1363.03 1418.61 36.92 890 97.1363 1309.71 1295.64 36.19 891 97.2113 1262.30 1214.45 35.53 892 97.2863 1153.82 1167.60 33.97 893 97.3613 1152.38 1143.23 33.95 894 97.4363 1134.85 1132.57 33.69 895 97.5113 1124.00 1131.23 33.53 896 97.5863 1142.37 1138.53 33.80 897 97.6613 1120.58 1156.24 33.48 898 97.7363 1129.06 1185.71 33.60 899 97.8113 1226.29 1223.14 35.02 900 97.8863 1262.93 1256.94 35.54 901 97.9613 1312.31 1271.67 36.23 902 98.0363 1197.98 1258.40 34.61 903 98.1113 1170.64 1225.22 34.21 904 98.1863 1147.41 1190.20 33.87 905 98.2613 1080.38 1164.42 32.87 906 98.3363 1158.90 1148.93 34.04 907 98.4113 1127.30 1140.71 33.58 908 98.4863 1212.82 1136.88 34.83 909 98.5613 1152.06 1134.17 33.94 910 98.6363 1113.10 1132.13 33.36 911 102.6117 1095.91 1114.90 33.10 912 102.6867 1104.76 1115.98 33.24 913 102.7617 1111.12 1117.35 33.33 914 102.8367 1134.44 1119.12 33.68 915 102.9117 1109.57 1121.50 33.31 916 102.9867 1162.48 1124.91 34.10 917 103.0617 1135.44 1130.29 33.70 918 103.1367 1119.41 1139.86 33.46 919 103.2117 1194.31 1158.10 34.56 920 103.2867 1123.87 1193.60 33.52 921 103.3617 1227.16 1257.97 35.03 922 103.4367 1389.44 1362.36 37.28 923 103.5117 1587.70 1509.69 39.85 924 103.5867 1711.27 1686.97 41.37 925 103.6617 1921.85 1863.89 43.84 926 103.7367 2142.64 2000.07 46.29 927 103.8117 2089.11 2062.36 45.71 928 103.8867 2021.25 2035.29 44.96 929 103.9617 1857.78 1919.36 43.10 930 104.0367 1692.31 1742.32 41.14 931 104.1117 1468.50 1553.72 38.32 932 104.1867 1298.73 1395.47 36.04 933 104.2617 1282.40 1284.15 35.81 934 104.3367 1175.13 1214.67 34.28 935 104.4117 1119.75 1173.96 33.46 936 104.4867 1134.96 1150.70 33.69 937 104.5617 1197.92 1137.59 34.61 938 104.6367 1157.47 1130.26 34.02 939 104.7117 1073.57 1126.08 32.77 940 104.7867 1166.78 1123.48 34.16 941 104.8617 1137.42 1121.62 33.73 942 104.9367 1155.85 1120.14 34.00 943 105.0117 1127.13 1118.90 33.57 944 105.0867 1119.03 1117.84 33.45 945 105.1617 1133.92 1116.94 33.67 946 105.2367 1126.87 1116.20 33.57 947 105.3117 1135.20 1115.59 33.69 948 105.3867 1110.33 1115.09 33.32 949 105.4617 1125.68 1114.73 33.55 950 105.5367 1113.68 1114.43 33.37 951 105.6117 1108.10 1114.21 33.29 952 105.6867 1102.12 1114.18 33.20 953 105.7617 1146.78 1114.98 33.86 954 105.8367 1151.29 1115.91 33.93 955 105.9117 1115.86 1116.87 33.40 956 105.9867 1131.50 1117.94 33.64 957 106.0617 1130.57 1119.08 33.62 958 106.1367 1128.35 1120.31 33.59 959 106.2117 1148.34 1121.62 33.89 960 106.2867 1163.85 1123.03 34.12 961 106.3617 1121.50 1124.58 33.49 962 106.4367 1114.06 1126.30 33.38 963 106.5117 1145.98 1128.22 33.85 964 106.5867 1149.28 1130.43 33.90 965 106.6617 1109.16 1133.08 33.30 966 106.7367 1106.54 1136.40 33.26 967 106.8117 1116.25 1140.92 33.41 968 106.8867 1155.58 1147.81 33.99 969 106.9617 1182.62 1159.73 34.39 970 107.0367 1217.00 1182.14 34.89 971 107.1117 1237.15 1224.51 35.17 972 107.1867 1338.35 1299.41 36.58 973 107.2617 1432.24 1416.57 37.85 974 107.3367 1655.32 1571.73 40.69 975 107.4117 1846.12 1736.81 42.97 976 107.4867 1936.31 1862.22 44.00 977 107.5617 1938.29 1897.05 44.03 978 107.6367 1754.86 1821.04 41.89 979 107.7117 1564.47 1667.75 39.55 980 107.7867 1416.80 1502.86 37.64 981 107.8617 1366.70 1373.84 36.97 982 107.9367 1301.44 1293.61 36.08 983 108.0117 1269.27 1255.67 35.63 984 108.0867 1219.44 1252.31 34.92 985 108.1617 1295.66 1281.96 36.00 986 108.2367 1366.07 1345.68 36.96 987 108.3117 1407.03 1438.27 37.51 988 108.3867 1552.26 1540.98 39.40 989 108.4617 1594.83 1622.21 39.94 990 108.5367 1601.63 1649.04 40.02 991 108.6117 1541.68 1605.92 39.26 992 108.6867 1457.64 1509.91 38.18 993 108.7617 1316.15 1400.81 36.28 994 108.8367 1289.45 1310.85 35.91 995 108.9117 1259.83 1250.08 35.49 996 108.9867 1219.97 1213.52 34.93 997 109.0617 1233.25 1192.37 35.12 998 109.1367 1183.37 1180.09 34.40 999 109.2117 1200.22 1173.06 34.64 1000 109.2867 1166.69 1169.34 34.16 1001 109.3617 1170.80 1167.65 34.22 1002 109.4367 1175.17 1167.08 34.28 1003 109.5117 1208.24 1167.06 34.76 1004 109.5867 1193.15 1167.33 34.54 1005 109.6617 1184.44 1167.78 34.42 1006 109.7367 1172.15 1168.62 34.24 1007 109.8117 1202.76 1170.10 34.68 1008 109.8867 1181.08 1171.80 34.37 1009 109.9617 1173.16 1173.75 34.25 1010 110.0367 1212.35 1176.08 34.82 1011 110.1117 1174.01 1179.01 34.26 1012 110.1867 1293.73 1183.03 35.97 1013 110.2617 1260.95 1189.23 35.51 1014 110.3367 1227.32 1199.76 35.03 1015 110.4117 1178.81 1218.24 34.33 1016 110.4867 1270.43 1249.54 35.64 1017 110.5617 1347.61 1297.96 36.71 1018 110.6367 1395.15 1363.53 37.35 1019 110.7117 1503.32 1438.02 38.77 1020 110.7867 1468.63 1504.19 38.32 1021 110.8617 1549.76 1540.75 39.37 1022 110.9367 1513.41 1532.48 38.90 1023 111.0117 1404.41 1481.28 37.48 1024 111.0867 1340.36 1408.22 36.61 1025 111.1617 1214.05 1338.82 34.84 1026 111.2367 1236.20 1287.42 35.16 1027 111.3117 1176.93 1255.49 34.31 1028 111.3867 1226.49 1238.19 35.02 1029 111.4617 1281.94 1230.43 35.80 1030 111.5367 1290.78 1229.64 35.93 1031 111.6117 1191.18 1236.08 34.51 1032 111.6867 1216.27 1252.36 34.88 1033 111.7617 1188.90 1282.79 34.48 1034 111.8367 1323.76 1331.59 36.38 1035 111.9117 1424.81 1399.50 37.75 1036 111.9867 1485.16 1479.55 38.54 1037 112.0617 1583.78 1555.34 39.80 1038 112.1367 1636.54 1604.80 40.45 1039 112.2117 1695.16 1609.23 41.17 1040 112.2867 1611.11 1564.73 40.14 1041 112.3617 1394.08 1488.09 37.34 1042 112.4367 1397.54 1406.91 37.38 1043 112.5117 1343.21 1341.28 36.65 1044 112.5867 1267.24 1297.13 35.60 1045 112.6617 1243.54 1270.81 35.26 1046 112.7367 1241.10 1255.98 35.23 1047 112.8117 1272.08 1247.67 35.67 1048 112.8867 1269.14 1243.12 35.62 1049 112.9617 1263.95 1240.95 35.55 1050 113.0367 1272.91 1240.35 35.68 1051 113.1117 1226.47 1240.71 35.02 1052 113.1867 1276.49 1241.61 35.73 1053 113.2617 1239.85 1242.78 35.21 1054 113.3367 1241.74 1244.10 35.24 1055 113.4117 1233.07 1245.52 35.12 1056 113.4867 1239.45 1247.04 35.21 1057 113.5617 1238.51 1248.67 35.19 1058 113.6367 1245.15 1251.19 35.29 1059 113.7117 1328.52 1254.66 36.45 1060 113.7867 1323.56 1258.35 36.38 1061 113.8617 1264.42 1262.28 35.56 1062 113.9367 1257.07 1266.76 35.46 1063 114.0117 1272.03 1272.17 35.67 1064 114.0867 1293.46 1279.29 35.96 1065 114.1617 1293.50 1289.67 35.97 1066 114.2367 1324.26 1305.88 36.39 1067 114.3117 1375.55 1331.34 37.09 1068 114.3867 1319.77 1369.63 36.33 1069 114.4617 1364.34 1422.30 36.94 1070 114.5367 1495.31 1486.14 38.67 1071 114.6117 1555.72 1551.50 39.44 1072 114.6867 1752.24 1603.44 41.86 1073 114.7617 1618.59 1626.73 40.23 1074 114.8367 1647.01 1612.80 40.58 1075 114.9117 1514.58 1566.35 38.92 1076 114.9867 1406.23 1504.60 37.50 1077 115.0617 1459.63 1447.01 38.21 1078 115.1367 1408.61 1405.20 37.53 1079 115.2117 1315.20 1381.85 36.27 1080 115.2867 1336.56 1375.36 36.56 1081 115.3617 1328.77 1383.83 36.45 1082 115.4367 1356.75 1408.71 36.83 1083 115.5117 1420.70 1453.47 37.69 1084 115.5867 1414.63 1520.90 37.61 1085 115.6617 1507.33 1608.78 38.82 1086 115.7367 1619.20 1706.46 40.24 1087 115.8117 1874.75 1794.56 43.30 1088 115.8867 1897.51 1849.72 43.56 1089 115.9617 1805.85 1853.43 42.50 1090 116.0367 1864.26 1802.21 43.18 1091 116.1117 1688.23 1712.67 41.09 1092 116.1867 1576.06 1613.57 39.70 1093 116.2617 1532.25 1528.92 39.14 1094 116.3367 1485.89 1468.89 38.55 1095 116.4117 1445.72 1431.91 38.02 1096 116.4867 1371.76 1411.23 37.04 1097 116.5617 1373.95 1400.21 37.07 1098 116.6367 1414.19 1394.49 37.61 1099 120.6117 1370.16 1411.00 37.02 1100 120.6867 1357.40 1390.40 36.84 1101 120.7617 1317.67 1376.03 36.30 1102 120.8367 1381.86 1365.83 37.17 1103 120.9117 1377.95 1358.05 37.12 1104 120.9867 1301.99 1351.64 36.08 1105 121.0617 1331.13 1346.10 36.48 1106 121.1367 1335.46 1341.27 36.54 1107 121.2117 1359.14 1340.46 36.87 1108 121.2867 1369.96 1342.78 37.01 1109 121.3617 1367.77 1346.13 36.98 1110 121.4367 1390.11 1351.03 37.28 1111 121.5117 1369.30 1358.49 37.00 1112 121.5867 1348.48 1370.33 36.72 1113 121.6617 1387.03 1389.44 37.24 1114 121.7367 1433.19 1419.91 37.86 1115 121.8117 1449.28 1466.71 38.07 1116 121.8867 1522.85 1534.61 39.02 1117 121.9617 1605.26 1626.06 40.07 1118 122.0367 1772.22 1738.83 42.10 1119 122.1117 1903.69 1864.10 43.63 1120 122.1867 2057.36 1986.52 45.36 1121 122.2617 2186.44 2086.78 46.76 1122 122.3367 2224.26 2146.87 47.16 1123 122.4117 2201.30 2155.66 46.92 1124 122.4867 2092.49 2114.06 45.74 1125 122.5617 2020.81 2035.58 44.95 1126 122.6367 1880.38 1939.36 43.36 1127 122.7117 1829.25 1840.96 42.77 1128 122.7867 1733.91 1748.33 41.64 1129 122.8617 1701.96 1664.67 41.25 1130 122.9367 1601.39 1592.73 40.02 1131 123.0117 1539.99 1536.18 39.24 1132 123.0867 1496.37 1498.71 38.68 1133 123.1617 1493.39 1482.73 38.64 1134 123.2367 1496.67 1489.21 38.69 1135 123.3117 1529.64 1517.80 39.11 1136 123.3867 1585.21 1566.57 39.81 1137 123.4617 1643.76 1631.47 40.54 1138 123.5367 1820.30 1705.52 42.66 1139 123.6117 1828.10 1778.73 42.76 1140 123.6867 1834.18 1839.07 42.83 1141 123.7617 1891.11 1875.14 43.49 1142 123.8367 1913.62 1879.30 43.74 1143 123.9117 1803.02 1850.78 42.46 1144 123.9867 1775.91 1796.31 42.14 1145 124.0617 1708.14 1728.21 41.33 1146 124.1367 1687.84 1659.27 41.08 1147 124.2117 1629.46 1598.10 40.37 1148 124.2867 1617.06 1547.51 40.21 1149 124.3617 1580.17 1506.39 39.75 1150 124.4367 1495.82 1472.53 38.68 1151 124.5117 1437.14 1444.50 37.91 1152 124.5867 1409.74 1421.86 37.55 1153 124.6617 1388.95 1404.53 37.27 1154 124.7367 1389.63 1392.18 37.28 1155 124.8117 1354.34 1384.05 36.80 1156 124.8867 1368.19 1379.12 36.99 1157 124.9617 1344.45 1376.34 36.67 1158 125.0367 1360.75 1374.85 36.89 1159 125.1117 1414.94 1374.08 37.62 1160 125.1867 1419.91 1373.70 37.68 1161 125.2617 1405.17 1373.58 37.49 1162 125.3367 1357.18 1373.59 36.84 1163 125.4117 1380.16 1373.45 37.15 1164 125.4867 1417.75 1373.47 37.65 1165 125.5617 1370.82 1373.64 37.02 1166 125.6367 1387.66 1373.99 37.25 1167 125.7117 1372.21 1374.60 37.04 1168 125.7867 1345.52 1375.55 36.68 1169 125.8617 1403.69 1376.99 37.47 1170 125.9367 1405.04 1379.09 37.48 1171 126.0117 1438.86 1382.01 37.93 1172 126.0867 1443.24 1385.86 37.99 1173 126.1617 1353.74 1390.64 36.79 1174 126.2367 1416.65 1396.19 37.64 1175 126.3117 1429.63 1402.13 37.81 1176 126.3867 1422.12 1407.91 37.71 1177 126.4617 1407.32 1412.88 37.51 1178 126.5367 1428.47 1416.35 37.79 1179 126.6117 1437.64 1417.84 37.92 1180 126.6867 1428.05 1417.15 37.79 1181 126.7617 1391.16 1414.42 37.30 1182 126.8367 1382.50 1410.10 37.18 1183 126.9117 1399.41 1404.79 37.41 1184 126.9867 1369.37 1399.19 37.01 1185 127.0617 1413.72 1393.94 37.60 1186 127.1367 1380.55 1389.50 37.16 1187 127.2117 1363.09 1386.15 36.92 1188 127.2867 1324.08 1383.90 36.39 1189 127.3617 1335.28 1383.25 36.54 1190 127.4367 1353.17 1383.27 36.79 1191 127.5117 1387.98 1383.76 37.26 1192 127.5867 1400.42 1384.53 37.42 1193 127.6617 1370.10 1385.45 37.01 1194 127.7367 1321.41 1386.47 36.35 1195 127.8117 1397.49 1387.54 37.38 1196 127.8867 1410.17 1388.66 37.55 1197 127.9617 1383.71 1389.80 37.20 1198 128.0367 1414.33 1390.98 37.61 1199 128.1117 1390.85 1392.18 37.29 1200 128.1867 1421.96 1393.41 37.71 1201 128.2617 1407.03 1394.65 37.51 1202 128.3367 1415.95 1395.91 37.63 1203 128.4117 1370.84 1397.19 37.02 1204 128.4867 1379.92 1398.48 37.15 1205 128.5617 1350.72 1399.80 36.75 1206 128.6367 1401.80 1401.08 37.44 1207 128.7117 1345.86 1402.44 36.69 1208 128.7867 1374.41 1403.83 37.07 1209 128.8617 1348.29 1405.25 36.72 1210 128.9367 1406.32 1406.71 37.50 1211 129.0117 1437.81 1408.21 37.92 1212 129.0867 1477.87 1409.77 38.44 1213 129.1617 1442.54 1411.40 37.98 1214 129.2367 1416.38 1413.26 37.63 1215 129.3117 1428.22 1415.30 37.79 1216 129.3867 1456.50 1417.46 38.16 1217 129.4617 1428.54 1419.81 37.80 1218 129.5367 1447.70 1422.39 38.05 1219 129.6117 1446.47 1425.32 38.03 1220 129.6867 1419.67 1428.76 37.68 1221 129.7617 1439.78 1432.98 37.94 1222 129.8367 1483.31 1438.41 38.51 1223 129.9117 1524.47 1445.74 39.04 1224 129.9867 1489.42 1455.99 38.59 1225 130.0617 1429.39 1470.63 37.81 1226 130.1367 1473.77 1491.63 38.39 1227 130.2117 1435.30 1521.39 37.89 1228 130.2867 1468.07 1562.49 38.32 1229 130.3617 1565.97 1617.29 39.57 1230 130.4367 1614.16 1687.15 40.18 1231 130.5117 1664.17 1771.69 40.79 1232 130.5867 1789.71 1867.96 42.31 1233 130.6617 1895.15 1970.00 43.53 1234 130.7367 1996.53 2068.98 44.68 1235 130.8117 2113.96 2154.11 45.98 1236 130.8867 2237.72 2214.29 47.30 1237 130.9617 2283.90 2240.26 47.79 1238 131.0367 2247.55 2226.81 47.41 1239 131.1117 2207.44 2174.62 46.98 1240 131.1867 2113.45 2090.51 45.97 1241 131.2617 2029.99 1985.89 45.06 1242 131.3367 1833.04 1874.05 42.81 1243 131.4117 1747.05 1767.43 41.80 1244 131.4867 1708.74 1675.30 41.34 1245 131.5617 1628.52 1602.62 40.35 1246 131.6367 1549.17 1550.15 39.36 1247 131.7117 1549.54 1515.59 39.36 1248 131.7867 1577.87 1495.01 39.72 1249 131.8617 1549.30 1484.16 39.36 1250 131.9367 1524.73 1479.39 39.05 1251 132.0117 1507.90 1478.06 38.83 1252 132.0867 1482.36 1478.57 38.50 1253 132.1617 1466.32 1480.20 38.29 1254 132.2367 1518.98 1482.76 38.97 1255 132.3117 1478.49 1486.33 38.45 1256 132.3867 1465.63 1490.75 38.28 1257 132.4617 1501.90 1496.38 38.75 1258 132.5367 1457.82 1503.24 38.18 1259 132.6117 1478.91 1511.04 38.46 1260 132.6867 1545.28 1519.24 39.31 1261 132.7617 1570.01 1527.09 39.62 1262 132.8367 1539.22 1533.74 39.23 1263 132.9117 1529.27 1538.34 39.11 1264 132.9867 1460.78 1540.19 38.22 1265 133.0617 1510.72 1538.94 38.87 1266 133.1367 1533.38 1534.64 39.16 1267 133.2117 1515.31 1527.85 38.93 1268 133.2867 1533.94 1519.54 39.17 1269 133.3617 1550.73 1510.85 39.38 1270 133.4367 1552.53 1502.80 39.40 1271 133.5117 1536.99 1496.13 39.20 1272 133.5867 1510.12 1491.19 38.86 1273 133.6617 1495.56 1487.98 38.67 1274 133.7367 1493.05 1486.26 38.64 1275 133.8117 1566.58 1485.70 39.58 1276 133.8867 1557.35 1485.92 39.46 1277 133.9617 1500.65 1486.65 38.74 1278 134.0367 1524.66 1487.66 39.05 1279 134.1117 1506.14 1488.86 38.81 1280 134.1867 1517.82 1490.23 38.96 1281 134.2617 1482.65 1491.79 38.51 1282 134.3367 1480.52 1493.70 38.48 1283 134.4117 1536.81 1496.09 39.20 1284 134.4867 1438.11 1499.21 37.92 1285 134.5617 1487.18 1503.39 38.56 1286 134.6367 1510.09 1509.13 38.86 1287 134.7117 1491.08 1517.94 38.61 1288 134.7867 1481.59 1530.16 38.49 1289 134.8617 1526.71 1546.53 39.07 1290 134.9367 1531.27 1568.27 39.13 1291 135.0117 1495.55 1596.63 38.67 1292 135.0867 1556.33 1632.72 39.45 1293 135.1617 1649.10 1677.23 40.61 1294 135.2367 1628.53 1730.07 40.36 1295 135.3117 1677.11 1790.15 40.95 1296 135.3867 1717.27 1855.05 41.44 1297 135.4617 1806.57 1920.99 42.50 1298 135.5367 2013.96 1983.05 44.88 1299 135.6117 2083.05 2035.57 45.64 1300 135.6867 2175.05 2072.91 46.64 1301 135.7617 2140.56 2090.32 46.27 1302 135.8367 2144.85 2084.81 46.31 1303 135.9117 2090.75 2055.89 45.72 1304 135.9867 1999.55 2005.96 44.72 1305 136.0617 1997.93 1940.19 44.70 1306 136.1367 1945.32 1865.75 44.11 1307 136.2117 1868.02 1790.48 43.22 1308 136.2867 1712.16 1721.31 41.38 1309 136.3617 1680.32 1663.30 40.99 1310 136.4367 1640.90 1619.02 40.51 1311 136.5117 1619.84 1588.84 40.25 1312 136.5867 1638.88 1571.48 40.48 1313 136.6617 1576.85 1564.66 39.71 1314 136.7367 1583.23 1565.75 39.79 1315 136.8117 1612.12 1572.33 40.15 1316 136.8867 1581.60 1582.47 39.77 1317 136.9617 1601.47 1594.84 40.02 1318 137.0367 1582.87 1608.70 39.79 1319 137.1117 1565.07 1623.73 39.56 1320 137.1867 1603.31 1639.80 40.04 1321 137.2617 1631.41 1657.04 40.39 1322 137.3367 1663.58 1675.29 40.79 1323 137.4117 1640.77 1694.20 40.51 1324 137.4867 1681.37 1713.12 41.00 1325 137.5617 1728.30 1731.07 41.57 1326 137.6367 1738.09 1746.73 41.69 1327 137.7117 1818.64 1758.60 42.65 1328 137.7867 1816.56 1765.23 42.62 1329 137.8617 1848.47 1765.40 42.99 1330 137.9367 1834.39 1758.44 42.83 1331 138.0117 1772.45 1744.46 42.10 1332 138.0867 1716.05 1724.42 41.43 1333 138.1617 1721.90 1700.08 41.50 1334 138.2367 1620.46 1673.74 40.26 1335 138.3117 1589.92 1647.76 39.87 1336 138.3867 1605.50 1624.15 40.07 loop_ _pd_proc_info_excluded_regions 'from 0.005 to 15.0: dipped inset' 'from 41.6 to 47.4: container reflection' 'from 63.4 to 67.6: container reflection' 'from 80.1 to 85.4: container reflection' 'from 98.5 to 102.4: container reflection' 'from 116.5 to 120.4: container reflection' 'from 138.3 to 141.9: container reflection' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_include_status _refln_d_spacing 1 0 1 372.47 370.97 7.93 o 4.020635 1 1 0 51.56 48.20 2.87 o 3.674483 1 1 1 141.59 135.31 3.73 o 3.179941 1 0 2 377.89 384.19 8.94 o 2.708205 2 0 0 966.91 980.28 22.28 o 2.598252 2 1 1 58.62 61.34 2.59 o 2.182240 2 -1 1 58.62 61.34 2.59 o 2.182240 2 0 2 12.15 12.79 3.52 o 2.010318 1 0 3 0.72 1.22 1.58 < 1.959336 2 1 2 175.13 171.33 4.81 o 1.874908 2 -1 2 175.13 171.33 4.81 o 1.874908 2 2 0 295.57 294.04 7.44 o 1.837241 1 1 3 375.72 374.13 9.46 o 1.833346 2 2 1 40.18 41.47 5.29 o 1.764779 3 -1 1 188.30 187.39 4.51 o 1.590816 3 1 1 188.30 187.39 4.51 o 1.590816 2 2 2 69.42 69.26 1.66 o 1.589971 0 0 4 1625.08 1626.59 39.10 o 1.586604 2 1 3 20.47 19.75 2.56 o 1.564386 2 -1 3 20.47 19.75 2.56 o 1.564386 3 0 2 1255.70 1228.87 27.77 o 1.520395 1 0 4 15.83 15.67 0.36 o 1.517450 3 -1 2 57.69 54.28 3.39 o 1.459220 3 1 2 57.69 54.29 3.39 o 1.459220 1 1 4 20.52 19.42 1.22 o 1.456616 3 2 0 142.62 140.23 8.29 o 1.441251 3 2 1 111.55 107.30 4.90 o 1.405464 3 -2 1 111.55 107.30 4.90 o 1.405464 3 -2 2 506.82 513.74 12.00 o 1.312240 3 2 2 506.82 513.74 12.00 o 1.312240 2 -1 4 139.44 141.41 3.31 o 1.310346 2 1 4 139.43 141.41 3.31 o 1.310346 4 0 0 33.47 33.43 0.80 o 1.299126 3 1 3 562.10 562.34 13.38 o 1.297746 3 -1 3 562.10 562.34 13.38 o 1.297746 4 0 1 20.22 18.02 5.81 o 1.272734 4 1 0 240.51 248.00 11.30 o 1.260337 4 1 1 291.82 290.32 7.08 o 1.236196 4 -1 1 291.82 290.32 7.08 o 1.236196 1 0 5 613.57 607.20 14.98 o 1.233034 3 3 0 756.71 766.66 26.54 o 1.224828 3 3 1 172.21 174.17 6.74 o 1.202635 4 0 2 49.41 49.94 1.94 o 1.202270 2 2 4 132.55 133.13 5.21 o 1.200812 1 1 5 2.13 2.12 0.08 o 1.199722 3 -2 3 30.10 23.11 4.23 o 1.191093 3 2 3 30.10 23.11 4.23 o 1.191093 4 2 1 77.26 77.81 2.64 o 1.142974 4 -2 1 77.26 77.81 2.64 o 1.142974 3 3 2 21.87 22.02 0.75 o 1.142660 3 1 4 115.54 115.43 3.90 o 1.141409 3 -1 4 115.54 115.43 3.90 o 1.141409 2 0 5 91.10 90.11 3.11 o 1.140473 2 -1 5 172.68 173.12 7.02 o 1.113960 2 1 5 172.68 173.12 7.02 o 1.113960 4 0 3 227.76 205.71 11.42 o 1.107042 4 2 2 84.63 74.36 5.67 o 1.091120 4 -2 2 84.63 74.36 5.67 o 1.091120 4 1 3 96.65 97.76 6.30 o 1.082745 4 -1 3 96.65 97.76 6.30 o 1.082745 3 -2 4 83.24 78.30 6.11 o 1.066813 3 2 4 83.24 78.30 6.11 o 1.066813 3 3 3 263.77 245.84 13.49 o 1.059980 1 0 6 96.13 18.49 6.56 < 1.036482 5 0 1 42.70 43.96 1.51 o 1.025639 4 3 1 174.60 179.75 6.17 o 1.025639 4 -3 1 174.60 179.75 6.17 o 1.025639 3 0 5 148.63 153.40 5.33 o 1.023831 5 1 0 62.27 64.24 2.86 o 1.019118 4 2 3 112.76 116.96 5.22 o 1.018452 4 -2 3 112.76 116.96 5.22 o 1.018452 1 1 6 56.61 57.54 2.78 o 1.016460 5 1 1 6.39 5.80 2.66 < 1.006227 5 -1 1 6.39 5.80 2.66 < 1.006227 4 0 4 12.25 10.90 5.03 < 1.005159 3 1 5 1.83 1.61 0.75 < 1.004519 3 -1 5 1.83 1.61 0.75 < 1.004519 5 0 2 307.92 295.23 10.43 o 0.987675 4 3 2 4.52 4.33 0.15 o 0.987675 4 -3 2 4.52 4.33 0.15 o 0.987675 4 1 4 102.93 99.04 3.49 o 0.986866 4 -1 4 102.93 99.04 3.49 o 0.986866 2 0 6 40.30 31.36 10.26 o 0.979668 5 1 2 23.97 23.38 0.99 o 0.970304 5 -1 2 23.97 23.38 0.99 o 0.970304 3 3 4 335.55 328.65 13.87 o 0.969538 5 2 0 22.62 23.05 1.99 o 0.964966 2 -1 6 68.67 66.65 5.89 o 0.962709 2 1 6 68.67 66.65 5.89 o 0.962709 loop_ _jana_atom_site_adp_c_label _jana_atom_site_adp_c_type_symbol _jana_atom_site_adp_c_111 _jana_atom_site_adp_c_112 _jana_atom_site_adp_c_113 _jana_atom_site_adp_c_122 _jana_atom_site_adp_c_123 _jana_atom_site_adp_c_133 _jana_atom_site_adp_c_222 _jana_atom_site_adp_c_223 _jana_atom_site_adp_c_233 _jana_atom_site_adp_c_333 Li1 Li 0 0 0 0 0 0 0 0 0 0 loop_ _jana_atom_site_adp_d_label _jana_atom_site_adp_d_type_symbol _jana_atom_site_adp_d_1111 _jana_atom_site_adp_d_1112 _jana_atom_site_adp_d_1113 _jana_atom_site_adp_d_1122 _jana_atom_site_adp_d_1123 _jana_atom_site_adp_d_1133 _jana_atom_site_adp_d_1222 _jana_atom_site_adp_d_1223 _jana_atom_site_adp_d_1233 _jana_atom_site_adp_d_1333 _jana_atom_site_adp_d_2222 _jana_atom_site_adp_d_2223 _jana_atom_site_adp_d_2233 _jana_atom_site_adp_d_2333 _jana_atom_site_adp_d_3333 Li1 Li 0 0.35(5) 0 0 0 0.18(5) 0.35(5) 0 -0.33(7) 0 0 0 0.18(5) 0 0