#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:25:53 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1083 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000525.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_1000525 loop_ _publ_author_name 'Geiger, C. A.' 'Armbruster, T.' 'Khomenko, V.' 'Quartieri, S.' _publ_section_title ; Cordierite I: The coordination of Fe2+ Sample: DA-1 ; _journal_name_full 'American Mineralogist' _journal_page_first 1255 _journal_page_last 1264 _journal_volume 85 _journal_year 2000 _chemical_compound_source R040082 _chemical_formula_sum 'Al4 Fe0.14 Mg1.86 Na0.09 O18.58 Si5' _chemical_name_mineral Cordierite _space_group_IT_number 66 _symmetry_space_group_name_Hall '-C 2 2c' _symmetry_space_group_name_H-M 'C c c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 17.072 _cell_length_b 9.727 _cell_length_c 9.351 _cell_volume 1552.821 _exptl_crystal_density_diffrn 2.570 _cod_original_formula_sum 'Si5 Al4 (Mg1.86 Fe.14) Na.09 O18.58' _cod_database_code 9002408 _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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 R040082.rod _rod_data_source.block 3500000 _rod_database.code 1000525 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 9002408 COD http://www.crystallography.net/cod/9002408.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 115.8298 0.0000000E+00 116.3119 9.813263 116.7940 25.31027 117.2761 44.85864 117.7582 65.11563 118.2403 83.34631 118.7225 98.21707 119.2046 109.2470 119.6867 112.9074 120.1688 106.7952 120.6509 97.75946 121.1330 85.96092 121.6152 72.28506 122.0973 59.35243 122.5794 49.53738 123.0615 43.27179 123.5436 39.07352 124.0257 37.75882 124.5079 38.86212 124.9900 41.33107 125.4721 44.86346 125.9542 47.83128 126.4363 48.43195 126.9184 46.79942 127.4006 44.30101 127.8827 40.46944 128.3648 34.96748 128.8469 29.12708 129.3290 23.71162 129.8111 18.96680 130.2932 14.85185 130.7754 11.33435 131.2575 8.219620 131.7396 5.270798 132.2217 2.421875 132.7038 0.2858580 133.1859 0.5685270 133.6681 1.091705 134.1502 1.456604 134.6323 1.667328 135.1144 1.818161 135.5965 2.058319 136.0786 2.537567 136.5608 2.788940 137.0429 2.650436 137.5250 2.431198 138.0071 2.405975 138.4892 2.645798 138.9713 2.970291 139.4535 2.895447 139.9356 2.176239 140.4177 1.394882 140.8998 0.5121150 141.3819 0.3244320 141.8640 0.8889310 142.3462 1.088425 142.8283 1.266190 143.3104 1.959091 143.7925 3.431229 144.2746 4.841766 144.7567 6.131119 145.2388 7.391251 145.7210 8.261810 146.2031 8.840866 146.6852 9.345520 147.1673 10.12000 147.6494 11.15996 148.1315 12.39656 148.6137 13.83026 149.0958 15.49692 149.5779 17.20898 150.0600 18.56589 150.5421 20.00049 151.0242 22.06522 151.5064 25.00447 151.9885 28.45236 152.4706 31.54945 152.9527 33.88701 153.4348 36.67351 153.9169 40.55212 154.3991 44.88495 154.8812 49.10983 155.3633 52.99286 155.8454 56.40837 156.3275 58.53550 156.8096 59.21964 157.2918 58.47782 157.7739 55.63329 158.2560 51.39108 158.7381 46.89339 159.2202 42.95142 159.7023 39.58080 160.1845 36.21069 160.6666 32.90088 161.1487 29.53287 161.6308 25.97089 162.1129 22.30695 162.5950 18.75045 163.0772 15.46914 163.5593 12.46475 164.0414 9.902466 164.5235 7.748070 165.0056 6.014023 165.4877 4.823135 165.9698 4.158730 166.4520 3.724792 166.9341 3.313126 167.4162 2.915306 167.8983 2.307411 168.3804 1.214851 168.8625 3.4870000E-03 169.3447 0.8280330 169.8268 1.152908 170.3089 1.337135 170.7910 1.859016 171.2731 2.601128 171.7552 3.051147 172.2374 2.705841 172.7195 1.895653 173.2016 1.648697 173.6837 1.859856 174.1658 1.955902 174.6479 1.031654 175.1301 0.6983720 175.6122 2.461189 176.0943 3.841293 176.5764 4.835724 177.0585 5.347198 177.5406 4.718788 178.0228 4.191742 178.5049 4.422348 178.9870 5.336678 179.4691 6.458099 179.9512 7.373253 180.4333 8.069275 180.9155 8.608452 181.3976 9.064133 181.8797 9.309196 182.3618 9.091187 182.8439 8.493187 183.3260 7.939537 183.8082 8.035156 184.2903 9.298607 184.7724 9.840263 185.2545 8.870743 185.7366 7.899551 186.2187 8.127174 186.7009 9.648285 187.1830 11.47608 187.6651 12.16152 188.1472 10.86954 188.6293 10.12608 189.1114 10.49964 189.5936 11.08410 190.0757 10.93164 190.5578 9.789093 191.0399 8.400833 191.5220 8.035645 192.0041 9.259552 192.4863 9.980835 192.9684 9.727501 193.4505 8.932838 193.9326 8.095200 194.4147 7.361229 194.8968 6.718147 195.3790 6.073975 195.8611 5.365784 196.3432 4.871078 196.8253 4.796501 197.3074 5.013435 197.7895 5.197426 198.2717 5.178513 198.7538 5.252686 199.2359 5.873772 199.7180 7.025223 200.2001 8.052429 200.6822 8.610352 201.1644 8.758430 201.6465 8.691376 202.1286 8.138977 202.6107 7.753197 203.0928 8.308853 203.5749 9.786331 204.0571 11.08031 204.5392 11.19258 205.0213 10.14079 205.5034 9.237495 205.9855 9.053093 206.4676 8.771225 206.9497 7.778297 207.4319 6.094421 207.9140 4.312645 208.3961 2.996361 208.8782 2.181717 209.3603 1.632767 209.8424 1.585243 210.3246 1.599449 210.8067 1.484848 211.2888 1.216530 211.7709 0.8743590 212.2530 0.5251010 212.7351 0.1277770 213.2173 0.1322100 213.6994 0.2268220 214.1815 0.2192230 214.6636 0.1129990 215.1457 7.6309003E-02 215.6278 0.3049550 216.1100 0.5205540 216.5921 0.7292180 217.0742 0.9057690 217.5563 0.9615330 218.0384 1.055809 218.5205 1.340233 219.0027 1.812752 219.4848 2.309830 219.9669 2.598076 220.4490 2.520172 220.9311 2.577347 221.4132 2.649811 221.8954 2.918533 222.3775 3.616211 222.8596 4.747269 223.3417 6.015045 223.8238 7.060280 224.3059 7.846550 224.7881 8.418358 225.2702 8.427872 225.7523 8.430603 226.2344 9.027878 226.7165 10.30334 227.1986 11.63845 227.6807 12.23949 228.1629 11.86895 228.6450 12.02178 229.1271 13.05206 229.6092 14.50767 230.0913 15.97682 230.5734 17.40104 231.0556 18.86635 231.5377 20.40047 232.0198 22.00298 232.5019 24.04847 232.9840 26.99446 233.4661 30.20069 233.9483 32.79395 234.4304 34.55912 234.9125 36.33247 235.3946 39.20039 235.8767 42.88303 236.3588 46.20019 236.8410 48.94748 237.3231 51.12657 237.8052 52.74411 238.2873 53.79284 238.7694 54.31773 239.2515 54.27305 239.7337 53.74950 240.2158 52.79974 240.6979 51.12745 241.1800 49.10884 241.6621 47.45676 242.1442 46.24207 242.6264 45.23158 243.1085 44.25172 243.5906 43.35582 244.0727 42.65828 244.5548 42.14265 245.0369 41.89177 245.5191 42.14116 246.0012 43.05566 246.4833 44.06601 246.9654 44.64258 247.4475 45.19366 247.9296 46.24844 248.4117 47.95779 248.8939 50.36631 249.3760 53.76534 249.8581 58.62549 250.3402 63.51230 250.8223 67.59538 251.3044 71.51215 251.7866 75.90355 252.2687 81.00430 252.7508 86.82834 253.2329 93.52193 253.7150 101.2493 254.1971 109.5233 254.6793 117.9080 255.1614 126.8453 255.6435 137.1737 256.1256 149.2381 256.6077 161.7525 257.0898 172.4547 257.5720 182.4805 258.0541 187.9026 258.5362 188.9910 259.0183 185.8383 259.5004 177.8754 259.9825 164.9862 260.4647 148.6533 260.9468 131.1836 261.4289 110.7341 261.9110 93.08790 262.3931 78.65504 262.8752 66.44272 263.3574 55.90253 263.8395 46.76956 264.3216 38.99219 264.8037 32.52206 265.2858 27.95390 265.7679 23.60070 266.2501 19.02201 266.7322 14.89567 267.2143 11.68143 267.6964 9.473503 268.1785 8.106941 268.6606 7.481499 269.1428 8.098259 269.6249 8.142883 270.1070 7.325180 270.5891 6.283028 271.0712 5.326851 271.5533 4.526039 272.0355 3.828636 272.5176 3.154221 272.9997 2.430801 273.4818 2.101990 273.9639 2.285400 274.4460 2.670212 274.9282 3.147888 275.4103 3.685120 275.8924 4.251228 276.3745 4.810555 276.8566 5.338173 277.3387 6.099258 277.8208 7.393127 278.3029 8.595764 278.7851 9.395470 279.2672 9.874901 279.7493 10.26072 280.2314 10.67265 280.7135 11.15862 281.1956 12.07584 281.6778 13.71545 282.1599 15.38737 282.6420 16.95113 283.1241 18.37914 283.6062 19.56226 284.0883 20.39317 284.5705 20.97596 285.0526 21.89960 285.5347 22.77051 286.0168 24.36043 286.4989 27.48317 286.9810 31.36238 287.4632 34.59875 287.9453 36.48148 288.4274 37.56387 288.9095 39.47307 289.3916 42.92978 289.8737 46.06874 290.3559 48.44357 290.8380 50.37210 291.3201 52.37361 291.8022 54.65412 292.2843 56.76112 292.7664 57.83212 293.2486 57.50532 293.7307 56.99006 294.2128 56.63570 294.6949 56.03864 295.1770 54.68895 295.6591 52.46474 296.1413 49.76590 296.6234 47.01341 297.1055 44.13328 297.5876 41.56838 298.0697 39.54655 298.5518 37.71360 299.0340 35.74481 299.5161 33.61780 299.9982 31.50843 300.4803 29.52311 300.9624 27.68153 301.4445 26.31484 301.9267 25.84229 302.4088 25.50306 302.8909 24.73653 303.3730 23.58537 303.8551 22.51119 304.3372 21.88862 304.8194 21.63800 305.3015 21.01915 305.7836 19.91336 306.2657 18.59953 306.7478 17.24416 307.2299 15.79446 307.7121 13.99348 308.1942 11.57738 308.6763 8.863472 309.1584 7.018738 309.6405 6.481674 310.1227 5.950974 310.6048 5.087051 311.0869 3.939362 311.5690 2.445839 312.0511 0.4717180 312.5332 1.453178 313.0154 2.089912 313.4975 1.007904 313.9796 0.2206120 314.4617 0.2430270 314.9438 0.7288820 315.4259 1.361641 315.9081 2.082146 316.3902 2.627090 316.8723 2.651115 317.3544 2.093964 317.8365 1.307114 318.3186 3.4256000E-02 318.8007 1.284607 319.2828 2.232994 319.7650 2.779007 320.2471 3.138588 320.7292 3.370369 321.2113 3.511787 321.6934 4.315308 322.1755 6.298279 322.6577 8.474403 323.1398 10.37263 323.6219 11.95486 324.1040 13.26005 324.5861 14.32742 325.0682 15.11130 325.5504 15.40353 326.0325 15.01835 326.5146 14.43522 326.9967 13.83027 327.4788 13.15174 327.9609 12.24772 328.4431 11.00997 328.9252 9.587234 329.4073 8.351082 329.8894 7.411278 330.3715 6.525856 330.8536 5.572227 331.3358 4.492416 331.8179 3.304878 332.3000 2.041901 332.7821 0.9140630 333.2642 0.1779560 333.7463 0.1039730 334.2285 0.2733380 334.7106 6.7711003E-02 335.1927 0.1720580 335.6748 8.1253000E-02 336.1569 0.8659820 336.6390 1.513069 337.1212 1.265442 337.6033 3.8040001E-02 338.0854 0.5940700 338.5675 5.7190001E-02 339.0496 0.4557500 339.5317 0.3031540 340.0139 0.3546450 340.4960 0.9967800 340.9781 1.304077 341.4602 1.392670 341.9423 1.832542 342.4244 2.896049 342.9066 3.974464 343.3887 4.960495 343.8708 5.846657 344.3529 6.625572 344.8350 7.288269 345.3171 7.851875 345.7993 8.371040 346.2814 8.935387 346.7635 9.292038 347.2456 9.120972 347.7277 8.941513 348.2098 9.282364 348.6920 10.19054 349.1741 11.23859 349.6562 11.91438 350.1383 12.09245 350.6204 12.52174 351.1025 13.75291 351.5847 14.69237 352.0668 14.46176 352.5489 13.40781 353.0310 12.61034 353.5131 12.89285 353.9952 14.11884 354.4774 14.87341 354.9595 14.49010 355.4416 14.40889 355.9237 15.06321 356.4058 16.13573 356.8879 17.19724 357.3701 18.05431 357.8522 18.79962 358.3343 19.64537 358.8164 20.52304 359.2985 21.63751 359.7806 22.89249 360.2627 24.42676 360.7448 26.44743 361.2270 28.94009 361.7091 31.58452 362.1912 34.00733 362.6733 36.13262 363.1554 38.37749 363.6375 41.26178 364.1197 43.76176 364.6018 45.53337 365.0839 46.57343 365.5660 46.98613 366.0481 46.88137 366.5302 46.20944 367.0124 44.54624 367.4945 41.16714 367.9766 37.65688 368.4587 34.20592 368.9408 30.86396 369.4229 27.61640 369.9051 24.47016 370.3872 21.49888 370.8693 18.92249 371.3514 16.80522 371.8335 15.18490 372.3156 14.32750 372.7978 13.67706 373.2799 12.87526 373.7620 11.89072 374.2441 10.92366 374.7262 10.28039 375.2083 10.01241 375.6905 9.484825 376.1726 8.436287 376.6547 7.389603 377.1368 6.582954 377.6189 5.956566 378.1010 5.374779 378.5832 4.739624 379.0653 4.110260 379.5474 3.642326 380.0295 3.357468 380.5116 3.181847 380.9937 3.245209 381.4759 3.326454 381.9580 3.162178 382.4401 2.654839 382.9222 2.110329 383.4043 1.924126 383.8864 2.091133 384.3686 2.089874 384.8507 1.660355 385.3328 1.185066 385.8149 1.096550 386.2970 1.336044 386.7791 1.356415 387.2613 0.4429550 387.7434 0.8575740 388.2255 1.056511 388.7076 0.2625350 389.1897 1.582565 389.6718 1.611984 390.1540 0.8831330 390.6361 0.4527740 391.1182 0.8604660 391.6003 1.281998 392.0824 0.7279890 392.5645 0.6448210 393.0467 1.496536 393.5288 1.093468 394.0109 9.0209998E-02 394.4930 0.3345570 394.9751 0.1251370 395.4572 0.1137920 395.9394 0.2826770 396.4215 0.3817520 396.9036 0.3409580 397.3857 0.1007920 397.8678 0.1816180 398.3499 0.3222810 398.8321 0.3064650 399.3142 0.1559370 399.7963 0.3301770 400.2784 0.7901460 400.7605 0.9847720 401.2426 0.9265060 401.7247 0.7131960 402.2068 0.3826450 402.6890 3.8291998E-02 403.1711 0.4264680 403.6532 0.8198010 404.1353 1.139732 404.6174 1.377899 405.0995 1.533333 405.5817 1.524727 406.0638 1.345322 406.5459 1.224106 407.0280 1.501160 407.5101 2.324356 407.9922 3.100845 408.4744 3.719521 408.9565 4.393250 409.4386 5.468956 409.9207 6.738884 410.4028 7.573174 410.8849 7.463593 411.3671 6.573242 411.8492 6.159775 412.3313 6.554153 412.8134 7.056206 413.2955 7.590263 413.7776 8.173271 414.2598 8.837677 414.7419 9.592094 415.2240 10.40598 415.7061 11.22781 416.1882 12.04496 416.6703 12.92762 417.1525 13.87381 417.6346 14.88985 418.1167 15.98119 418.5988 17.15199 419.0809 18.38952 419.5630 19.69560 420.0452 21.06441 420.5273 22.49373 421.0094 23.96826 421.4915 25.52706 421.9736 27.23231 422.4557 28.99447 422.9379 30.68586 423.4200 32.25208 423.9021 33.84840 424.3842 35.89064 424.8663 38.32757 425.3484 39.96329 425.8306 40.38980 426.3127 40.09452 426.7948 39.58152 427.2769 38.83363 427.7590 37.68153 428.2411 35.99255 428.7233 33.87777 429.2054 31.38832 429.6875 28.48199 430.1696 25.67942 430.6517 23.28577 431.1339 21.26157 431.6160 19.38232 432.0981 17.60803 432.5802 16.03907 433.0623 14.76430 433.5444 13.73386 434.0266 12.88902 434.5087 12.24212 434.9908 11.61434 435.4729 10.72785 435.9550 9.479286 436.4371 8.463478 436.9193 7.753868 437.4014 7.238861 437.8835 6.926292 438.3656 6.759567 438.8477 6.570808 439.3298 6.239853 439.8120 5.807137 440.2941 5.504082 440.7762 5.239494 441.2583 5.226524 441.7404 5.754631 442.2225 6.409302 442.7046 6.767075 443.1867 6.718567 443.6689 6.454460 444.1510 6.191811 444.6331 5.903778 445.1152 5.702774 445.5973 5.539856 446.0794 5.449547 446.5616 5.433800 447.0437 5.565117 447.5258 6.085655 448.0079 7.234673 448.4900 8.671066 448.9721 9.358566 449.4543 8.793770 449.9364 8.604759 450.4185 9.623177 450.9006 10.88789 451.3827 11.85572 451.8648 12.46795 452.3470 12.82530 452.8291 12.84074 453.3112 12.56126 453.7933 12.45246 454.2754 12.66647 454.7575 12.91730 455.2397 13.11667 455.7218 13.16194 456.2039 12.83391 456.6860 11.73220 457.1681 10.72272 457.6502 10.78374 458.1324 11.61713 458.6145 11.88505 459.0966 11.01208 459.5787 9.711411 460.0608 9.042290 460.5429 9.034508 461.0251 9.063896 461.5072 8.991608 461.9893 8.921867 462.4714 8.898842 462.9535 8.947762 463.4356 9.155609 463.9178 9.582245 464.3999 10.21433 464.8820 11.00749 465.3641 12.26884 465.8462 13.29253 466.3283 13.94013 466.8105 14.33123 467.2926 14.46027 467.7747 14.38660 468.2568 14.43869 468.7389 15.07736 469.2210 16.47019 469.7032 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