#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:20:41 +0300 (Thu, 24 May 2018) $ #$Revision: 658 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100014.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_8100014 loop_ _publ_author_name 'Chevrier, G.' 'Giester, G.' 'Zemann, J.' _publ_section_title ; Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series Locality: synthetic ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 7 _journal_page_last 14 _journal_volume 206 _journal_year 1993 _chemical_compound_source R050152 _chemical_formula_structural RbCu2(SO4)2(OH)(H2O) _chemical_formula_sum 'Cu2 H3 O10 Rb S2' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 116.11 _cell_angle_gamma 90 _cell_length_a 9.246 _cell_length_b 6.483 _cell_length_c 7.940 _cell_volume 427.369 _exptl_crystal_density_diffrn 3.417 _cod_original_formula_sum 'Rb Cu2 S2 O10 H3' _cod_database_code 9008429 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R050152.rod _rod_data_source.block 3500000 _rod_database.code 8100014 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9008429 COD http://www.crystallography.net/cod/9008429.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 122.3296 0.0000000E+00 122.8118 0.3735660 123.2939 1.239532 123.7760 10.80872 124.2581 24.89995 124.7402 38.95650 125.2223 51.71696 125.7045 62.39540 126.1866 69.37033 126.6687 72.04884 127.1508 73.95081 127.6329 78.61673 128.1150 85.31635 128.5972 91.99420 129.0793 99.19893 129.5614 105.6255 130.0435 107.4610 130.5256 103.1696 131.0077 96.82858 131.4899 94.25528 131.9720 95.16861 132.4541 97.56497 132.9362 98.61945 133.4183 98.62259 133.9004 101.6547 134.3826 108.1164 134.8647 117.7984 135.3468 130.0195 135.8289 146.0046 136.3110 164.6158 136.7931 186.2970 137.2753 213.8299 137.7574 239.5153 138.2395 264.9227 138.7216 287.7955 139.2037 294.0875 139.6858 284.1120 140.1680 263.5085 140.6501 234.1323 141.1322 192.4293 141.6143 154.1674 142.0964 122.2534 142.5785 96.60101 143.0607 75.41614 143.5428 58.98753 144.0249 46.30260 144.5070 36.00426 144.9891 28.60089 145.4712 22.65604 145.9534 18.05685 146.4355 15.01512 146.9176 12.13937 147.3997 9.450165 147.8818 6.904297 148.3639 4.306396 148.8461 0.8473360 149.3282 1.714432 149.8103 2.575699 150.2924 0.2438810 150.7745 0.8014830 151.2566 0.2884670 151.7388 2.704575 152.2209 4.302917 152.7030 4.378387 153.1851 4.226807 153.6672 4.356155 154.1493 5.566864 154.6315 6.015976 155.1136 4.965881 155.5957 2.921005 156.0778 1.715836 156.5599 2.415359 157.0420 3.429123 157.5242 3.905502 158.0063 3.657669 158.4884 2.931427 158.9705 1.669861 159.4526 7.8856997E-02 159.9347 2.055313 160.4169 4.523849 160.8990 7.015381 161.3811 9.191666 161.8632 10.18102 162.3453 11.58070 162.8274 14.19133 163.3096 17.92166 163.7917 21.50598 164.2738 25.05051 164.7559 27.97191 165.2380 29.69550 165.7201 28.49107 166.2023 27.29390 166.6844 27.53722 167.1665 29.26279 167.6486 31.83395 168.1307 36.08415 168.6128 40.71738 169.0949 44.03641 169.5771 43.77849 170.0592 43.00246 170.5413 44.30740 171.0234 47.98450 171.5055 51.56969 171.9876 52.42722 172.4698 52.05643 172.9519 53.12836 173.4340 57.59848 173.9161 63.77968 174.3982 70.01303 174.8803 76.18092 175.3625 82.59612 175.8446 88.70924 176.3267 95.13351 176.8088 103.3211 177.2909 114.7882 177.7730 128.2532 178.2552 141.8836 178.7373 155.5246 179.2194 169.6796 179.7015 186.8522 180.1836 205.9884 180.6657 222.0750 181.1479 234.8285 181.6300 242.4905 182.1121 240.6123 182.5942 227.4733 183.0763 208.0530 183.5584 186.1457 184.0406 162.2476 184.5227 140.4714 185.0048 122.7055 185.4869 108.9238 185.9690 98.81871 186.4511 92.94614 186.9333 89.83751 187.4154 87.26982 187.8975 85.24255 188.3796 84.20901 188.8617 84.25650 189.3438 85.47952 189.8260 88.49458 190.3081 93.85004 190.7902 100.5245 191.2723 106.2621 191.7544 111.0256 192.2365 116.1202 192.7187 122.6207 193.2008 130.4252 193.6829 138.7263 194.1650 147.5364 194.6471 156.7943 195.1292 166.2848 195.6114 176.0278 196.0935 185.9021 196.5756 195.8695 197.0577 205.9283 197.5398 215.3903 198.0219 223.8303 198.5041 231.7505 198.9862 240.4077 199.4683 249.8371 199.9504 259.9758 200.4325 270.6829 200.9146 281.8727 201.3968 294.1674 201.8789 307.9280 202.3610 322.7963 202.8431 336.8077 203.3252 349.4283 203.8073 362.4739 204.2895 377.6384 204.7716 395.1290 205.2537 413.0689 205.7358 430.5241 206.2179 447.9788 206.7000 469.2393 207.1822 494.7661 207.6643 522.3845 208.1464 550.3827 208.6285 578.7711 209.1106 607.0186 209.5927 635.2330 210.0749 663.3478 210.5570 690.6685 211.0391 718.2239 211.5212 742.6026 212.0033 761.2533 212.4854 774.7330 212.9676 780.7236 213.4497 778.4933 213.9318 768.0135 214.4139 751.1451 214.8960 726.9584 215.3781 697.6224 215.8603 664.1797 216.3424 625.8188 216.8245 586.7732 217.3066 547.2134 217.7887 506.9418 218.2708 470.2781 218.7529 437.8206 219.2351 407.5094 219.7172 377.7915 220.1993 347.4799 220.6814 319.7642 221.1635 295.7628 221.6456 275.2960 222.1278 256.6031 222.6099 239.7484 223.0920 224.2663 223.5741 210.1538 224.0562 197.4659 224.5383 185.5198 225.0205 174.0045 225.5026 163.0050 225.9847 152.9820 226.4668 144.3817 226.9489 136.3299 227.4310 128.0936 227.9132 119.0680 228.3953 110.8529 228.8774 103.8845 229.3595 98.13239 229.8416 92.68300 230.3237 87.41672 230.8059 82.51025 231.2880 78.19444 231.7701 74.84880 232.2522 71.32320 232.7343 67.29279 233.2164 62.68951 233.6986 58.53212 234.1807 54.73814 234.6628 51.46675 235.1449 49.04503 235.6270 48.14546 236.1091 46.80956 236.5913 44.49602 237.0734 41.18198 237.5555 38.25714 238.0376 35.73514 238.5197 33.58304 239.0018 31.88876 239.4840 31.09698 239.9661 29.87141 240.4482 27.63976 240.9303 24.42030 241.4124 22.56464 241.8945 22.91330 242.3767 23.73489 242.8588 23.43654 243.3409 21.30988 243.8230 19.41388 244.3051 18.13518 244.7872 17.45334 245.2694 16.60178 245.7515 15.50263 246.2336 14.31316 246.7157 13.08372 247.1978 11.46030 247.6799 10.57190 248.1621 11.02403 248.6442 12.64131 249.1263 12.80237 249.6084 10.62646 250.0905 8.123795 250.5726 6.875763 251.0548 7.454041 251.5369 7.975479 252.0190 8.258240 252.5011 8.307922 252.9832 8.118958 253.4653 7.700485 253.9475 7.115585 254.4296 6.307587 254.9117 4.956879 255.3938 4.020691 255.8759 3.593201 256.3580 3.609924 256.8401 3.841858 257.3223 4.629089 257.8044 5.365234 258.2865 5.428040 258.7686 4.190079 259.2507 3.783615 259.7328 4.734665 260.2150 6.610474 260.6971 7.592712 261.1792 7.493103 261.6613 7.057770 262.1434 6.579926 262.6255 5.952698 263.1077 5.417648 263.5898 4.979660 264.0719 4.691299 264.5540 4.709564 265.0361 5.398056 265.5182 5.847137 266.0004 5.322952 266.4825 3.363602 266.9646 2.032776 267.4467 1.495987 267.9288 1.575592 268.4109 1.898254 268.8931 2.556519 269.3752 3.263687 269.8573 3.975250 270.3394 4.746689 270.8215 5.022354 271.3036 4.323914 271.7858 3.327576 272.2679 3.606400 272.7500 5.667328 273.2321 7.670258 273.7142 8.768982 274.1964 8.911484 274.6785 8.132828 275.1606 6.046494 275.6427 3.700226 276.1248 3.050247 276.6069 4.528366 277.0891 6.085556 277.5712 6.844971 278.0533 6.756866 278.5354 6.487198 279.0175 5.905014 279.4996 5.245758 279.9818 4.912811 280.4639 4.988113 280.9460 4.981277 281.4281 4.553482 281.9102 3.811874 282.3923 4.035965 282.8745 5.525818 283.3566 7.062378 283.8387 6.947815 284.3208 5.132401 284.8029 3.688934 285.2850 3.337952 285.7672 3.911484 286.2493 5.065521 286.7314 6.821472 287.2135 8.214081 287.6956 7.993088 288.1777 6.304581 288.6599 4.968796 289.1420 4.473160 289.6241 4.564041 290.1062 4.622437 290.5883 4.669083 291.0704 4.729218 291.5526 4.866821 292.0347 5.049286 292.5168 5.016357 292.9989 4.597778 293.4810 4.026093 293.9631 3.813339 294.4453 4.001144 294.9274 4.346634 295.4095 4.696838 295.8916 5.061630 296.3737 5.577179 296.8558 6.446518 297.3380 7.092072 297.8201 6.430359 298.3022 4.647110 298.7843 2.944824 299.2664 1.922485 299.7485 1.506866 300.2307 1.734344 300.7128 2.782516 301.1949 3.821747 301.6770 3.750076 302.1591 2.841995 302.6412 2.015427 303.1234 1.874161 303.6055 2.056992 304.0876 1.978622 304.5697 1.561096 305.0518 1.225266 305.5339 1.631439 306.0161 2.409073 306.4982 2.776962 306.9803 1.851105 307.4624 0.6423650 307.9445 0.3169560 308.4266 0.9093170 308.9088 1.523239 309.3909 1.579681 309.8730 1.234558 310.3551 0.7186740 310.8372 0.1594090 311.3193 0.9789580 311.8015 1.491501 312.2836 1.698761 312.7657 1.566299 313.2478 0.4385830 313.7299 0.7599950 314.2120 1.079620 314.6942 0.5477290 315.1763 2.171860 315.6584 2.834610 316.1405 2.654312 316.6226 2.050064 317.1047 0.4081420 317.5869 1.101501 318.0690 1.538681 318.5511 4.1200002E-03 319.0332 1.295105 319.5153 1.425888 319.9974 0.7235870 320.4796 4.6585001E-02 320.9617 1.214706 321.4438 1.955811 321.9259 1.709259 322.4080 1.1612000E-02 322.8901 1.438248 323.3723 2.096085 323.8544 2.246002 324.3365 2.259659 324.8186 1.976852 325.3007 1.776825 325.7828 1.785187 326.2650 2.033646 326.7471 2.325928 327.2292 3.130981 327.7113 3.752701 328.1934 3.525848 328.6755 0.7320860 329.1577 1.090195 329.6398 0.8429570 330.1219 1.461700 330.6040 2.521072 331.0861 1.509064 331.5682 9.7503997E-02 332.0504 1.410965 332.5325 2.891479 333.0146 3.271271 333.4967 1.924622 333.9788 0.6907500 334.4609 2.437805 334.9431 3.192657 335.4252 3.279465 335.9073 2.739838 336.3894 1.167786 336.8715 3.0731000E-02 337.3536 0.6173400 337.8358 0.8576660 338.3179 0.8606870 338.8000 0.6189120 339.2821 0.1617580 339.7642 0.6914060 340.2463 2.046097 340.7285 2.354935 341.2105 1.138733 341.6927 0.2433010 342.1748 0.5026090 342.6569 3.750198 343.1390 5.964035 343.6211 5.652344 344.1032 3.299713 344.5854 1.926453 345.0675 1.649567 345.5496 1.812012 346.0317 2.006119 346.5138 2.201874 346.9959 1.953979 347.4781 0.9354860 347.9602 0.3609770 348.4423 0.7809140 348.9244 0.3464200 349.4065 0.3189700 349.8886 1.141327 350.3708 1.870575 350.8529 1.555450 351.3350 0.2202300 351.8171 2.236893 352.2992 2.846649 352.7813 2.285110 353.2635 1.468811 353.7456 0.3766480 354.2277 0.4930420 354.7098 0.1236110 355.1919 1.661163 355.6740 3.348221 356.1562 3.423752 356.6383 2.485580 357.1204 1.596542 357.6025 1.171921 358.0846 0.9837190 358.5667 0.8391720 359.0489 0.7432710 359.5310 0.8269040 360.0131 1.147079 360.4952 1.693192 360.9773 2.477676 361.4594 3.838852 361.9416 5.026001 362.4237 5.652267 362.9058 5.819687 363.3879 5.855347 363.8700 5.704849 364.3521 5.581726 364.8343 5.601181 365.3164 5.781616 365.7985 6.059097 366.2806 6.473038 366.7627 7.001953 367.2448 7.610886 367.7270 8.633606 368.2091 9.407516 368.6912 9.581665 369.1733 8.983231 369.6554 8.681427 370.1375 8.787369 370.6197 9.213394 371.1018 9.935593 371.5839 10.88478 372.0660 12.19217 372.5481 14.10736 373.0302 16.41565 373.5124 17.63861 373.9945 17.04640 374.4766 16.48662 374.9587 17.15495 375.4408 19.49770 375.9229 21.63115 376.4051 23.35884 376.8872 24.80507 377.3693 26.32060 377.8514 27.92918 378.3335 29.82529 378.8156 32.11420 379.2978 34.78177 379.7799 37.44009 380.2620 39.98364 380.7441 42.63885 381.2262 45.96024 381.7083 49.93454 382.1905 53.62172 382.6726 56.48587 383.1547 58.98254 383.6368 62.31912 384.1189 66.51587 384.6010 71.03294 385.0832 75.20912 385.5653 79.31267 386.0474 84.30750 386.5295 90.65475 387.0116 97.60625 387.4937 104.6165 387.9759 111.4175 388.4580 117.6856 388.9401 122.4534 389.4222 127.1489 389.9043 133.5005 390.3864 141.7688 390.8686 150.5069 391.3507 158.7480 391.8328 166.7126 392.3149 174.7254 392.7970 182.2856 393.2791 190.5389 393.7613 200.7055 394.2434 212.6307 394.7255 223.8826 395.2076 232.7393 395.6897 240.8760 396.1718 249.4688 396.6540 258.4402 397.1361 268.3567 397.6182 279.7003 398.1003 292.0107 398.5824 304.3819 399.0645 316.8900 399.5467 329.4027 400.0288 341.9655 400.5109 354.8820 400.9930 366.2196 401.4751 376.1197 401.9572 384.8125 402.4394 392.4494 402.9215 399.9354 403.4036 404.6913 403.8857 406.2580 404.3678 404.7151 404.8499 400.7608 405.3321 394.1271 405.8142 385.6451 406.2963 375.7946 406.7784 364.4694 407.2605 352.1070 407.7426 338.6468 408.2248 324.2186 408.7069 308.6021 409.1890 291.9532 409.6711 275.8224 410.1532 260.6266 410.6353 246.4853 411.1175 234.0496 411.5996 223.4331 412.0817 214.4315 412.5638 207.2559 413.0459 201.7380 413.5280 196.7524 414.0102 191.8454 414.4923 187.5593 414.9744 184.5653 415.4565 182.8128 415.9386 182.0679 416.4207 182.0583 416.9029 183.0149 417.3850 185.4937 417.8671 189.8839 418.3492 194.4140 418.8313 197.3629 419.3134 199.7157 419.7956 203.1027 420.2777 208.5890 420.7598 214.9220 421.2419 220.9826 421.7240 226.8622 422.2061 235.0535 422.6883 248.1797 423.1704 262.8629 423.6525 276.8701 424.1346 288.0934 424.6167 300.7636 425.0988 315.2294 425.5810 331.3546 426.0631 349.0353 426.5452 369.9951 427.0273 390.4777 427.5094 409.6587 427.9915 427.4031 428.4737 444.2178 428.9558 461.1941 429.4379 476.1760 429.9200 487.5180 430.4021 496.1543 430.8842 498.2600 431.3664 492.4915 431.8485 479.8543 432.3306 463.9272 432.8127 444.5472 433.2948 422.6317 433.7769 397.5889 434.2591 369.7235 434.7412 343.4404 435.2233 318.8087 435.7054 296.4243 436.1875 276.6372 436.6696 259.4937 437.1518 245.2530 437.6339 234.0437 438.1160 225.5909 438.5981 219.6094 439.0802 216.0826 439.5623 214.5926 440.0444 215.0107 440.5266 217.2461 441.0087 221.2295 441.4908 227.0957 441.9729 234.3467 442.4550 243.5345 442.9371 253.8095 443.4193 263.5448 443.9014 271.2848 444.3835 278.8793 444.8656 288.3544 445.3477 300.1130 445.8298 308.0413 446.3120 310.8841 446.7941 308.8975 447.2762 302.2285 447.7583 288.7200 448.2404 273.2910 448.7225 255.8829 449.2047 236.8128 449.6868 217.3614 450.1689 195.5648 450.6510 175.6808 451.1331 159.5143 451.6152 147.3841 452.0974 136.7129 452.5795 127.3777 453.0616 119.6458 453.5437 113.5635 454.0258 109.2405 454.5079 106.5975 454.9901 105.8830 455.4722 106.5354 455.9543 107.1188 456.4364 107.6843 456.9185 108.9367 457.4006 110.9602 457.8828 113.7694 458.3649 117.8920 458.8470 123.3655 459.3291 130.1914 459.8112 138.9589 460.2933 149.0115 460.7755 158.7506 461.2576 166.5410 461.7397 174.6610 462.2218 185.9718 462.7039 199.9956 463.1860 213.7369 463.6682 225.4993 464.1503 236.3982 464.6324 247.3836 465.1145 259.2773 465.5966 269.9600 466.0787 279.2776 466.5609 286.7338 467.0430 291.5704 467.5251 295.5860 468.0072 295.0216 468.4893 287.9089 468.9714 274.5735 469.4536 260.3492 469.9357 244.8384 470.4178 228.7116 470.8999 212.3232 471.3820 195.2478 471.8641 179.0463 472.3463 163.6440 472.8284 149.2919 473.3105 135.9047 473.7926 123.5450 474.2747 112.2051 474.7568 101.8919 475.2390 92.59406 475.7211 84.15630 476.2032 76.52182 476.6853 70.20059 477.1674 66.38824 477.6495 64.17990 478.1317 60.71693 478.6138 55.42262 479.0959 49.61769 479.5780 44.07925 480.0601 39.11928 480.5422 35.55096 481.0244 35.07770 481.5065 35.08394 481.9886 33.24159 482.4707 29.74911 482.9528 26.51068 483.4349 24.66400 483.9171 23.25046 484.3992 21.53804 484.8813 19.05643 485.3634 16.99229 485.8455 15.90256 486.3276 15.33316 486.8098 14.61655 487.2919 13.76503 487.7740 12.65645 488.2561 11.14078 488.7382 9.245590 489.2203 7.700592 489.7025 6.385834 490.1846 5.629089 490.6667 5.926224 491.1488 7.686356 491.6309 8.222092 492.1130 7.091187 492.5952 5.312775 493.0773 4.364944 493.5594 4.240433 494.0415 4.284637 494.5236 4.532166 495.0057 4.651505 495.4879 3.413818 495.9700 0.9470210 496.4521 1.029129 496.9342 0.7337490 497.4163 0.6608730 497.8984 1.335922 498.3806 0.9519500 498.8627 0.3434750 499.3448 7.7331997E-02 499.8269 0.2694400 500.3090 0.1772000 500.7911 0.8322450 501.2733 1.535721 501.7554 1.288208 502.2375 0.2195740 502.7196 0.8905180 503.2017 2.503586 503.6838 3.619537 504.1660 3.529785 504.6481 1.396729 505.1302 0.3598480 505.6123 1.059189 506.0944 2.384857 506.5765 3.123489 507.0587 3.137207 507.5408 2.890030 508.0229 2.321686 508.5050 1.595261 508.9871 1.330307 509.4692 1.588531 509.9514 1.868652 510.4335 1.757675 510.9156 1.382721 511.3977 1.657425 511.8798 2.692520 512.3619 3.563995 512.8441 2.777985 513.3262 1.163132 513.8083 0.7952120 514.2904 3.011642 514.7725 5.318451 515.2546 5.027893 515.7368 2.949005 516.2189 1.171463 516.7010 0.7268070 517.1831 0.8345790 517.6652 1.311340 518.1473 2.167664 518.6295 2.451492 519.1116 0.9983830 519.5937 0.5697170 520.0758 1.086685 520.5579 1.015732 521.0400 2.205399 521.5222 1.946167 522.0043 0.9922940 522.4864 0.8078610 522.9685 1.900055 523.4506 2.574188 523.9327 2.194229 524.4149 0.9426420 524.8970 0.1006620 525.3791 0.3275910 525.8612 0.3809360 526.3433 0.2420200 526.8254 1.330734 527.3076 1.651794 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793.4359 0.1717830 793.9180 0.4155430 794.4001 1.072830 794.8822 1.925842 795.3643 1.883347 795.8464 6.6040002E-02 796.3286 1.712219 796.8107 1.626968 797.2928 0.4876400 797.7749 0.2620700 798.2570 0.2496950 798.7391 0.5246580 799.2213 0.2300420 799.7034 0.4036560 800.1855 1.114151 800.6676 2.017456 801.1497 2.189560 801.6318 1.243561 802.1140 5.3543001E-02 802.5961 0.1950840 803.0782 1.296402 803.5603 2.274948 804.0424 2.771896 804.5245 3.000671 805.0067 2.843201 805.4888 2.570724 805.9709 2.646912 806.4530 4.001694 806.9351 4.512024 807.4172 3.479263 807.8994 1.888794 808.3815 1.863373 808.8636 3.487747 809.3457 4.027740 809.8278 2.453262 810.3099 0.3792110 810.7921 0.1856230 811.2742 1.210190 811.7563 2.134888 812.2384 2.670151 812.7205 2.728897 813.2026 1.707474 813.6848 0.3773350 814.1669 8.9827999E-02 814.6490 1.599258 815.1311 2.676071 815.6132 3.010803 816.0953 2.883240 816.5775 2.593079 817.0596 2.194580 817.5417 2.234497 818.0238 3.096252 818.5059 3.893097 818.9880 3.368652 819.4702 2.271698 819.9523 1.715622 820.4344 2.619019 820.9165 3.384094 821.3986 3.743195 821.8807 3.670898 822.3629 3.049103 822.8450 1.599869 823.3271 1.144714 823.8092 2.230515 824.2913 3.645218 824.7734 3.767059 825.2556 2.969437 825.7377 2.110077 826.2198 1.185944 826.7019 0.6646580 827.1840 1.560196 827.6661 2.904312 828.1483 3.592743 828.6304 2.976517 829.1125 2.243927 829.5946 1.216476 830.0767 0.3287660 830.5588 6.4544998E-02 831.0410 0.3841860 831.5231 1.154327 832.0052 2.516617 832.4873 3.485535 832.9694 2.413986 833.4515 0.4872590 833.9337 0.5090790 834.4158 4.3029999E-03 834.8979 0.7308200 835.3800 1.315842 835.8621 1.893860 836.3442 2.617691 836.8264 3.703186 837.3085 4.320831 837.7906 4.485672 838.2727 4.134125 838.7548 2.507034 839.2369 0.2891240 839.7191 6.4240001E-02 840.2012 2.244324 840.6833 4.428665 841.1654 5.135254 841.6475 4.882767 842.1296 3.929321 842.6118 1.941147 843.0939 0.7885280 843.5760 0.9145510 844.0581 1.419708 844.5402 1.872696 845.0223 2.284805 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1295.801 3.563965 1296.283 2.923065 1296.766 1.611710 1297.248 1.2360000E-02 1297.730 0.0000000E+00