#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:11 +0300 (Thu, 07 Jun 2018) $ #$Revision: 976 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000436.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_1000436 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 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 R040082.rod _rod_data_source.block 3500000 _rod_database.code 1000436 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 140.8032 0.0000000E+00 141.2853 0.1655580 141.7674 1.250153 142.2495 3.794800 142.7316 7.983978 143.2137 12.36969 143.6959 14.83658 144.1780 17.05859 144.6601 18.83954 145.1422 20.86258 145.6243 23.25473 146.1064 25.86789 146.5886 28.32190 147.0707 30.39813 147.5528 32.51752 148.0349 34.91745 148.5170 38.63156 148.9991 41.01050 149.4813 40.98584 149.9634 38.96350 150.4455 38.68799 150.9276 41.02127 151.4097 44.44455 151.8918 47.92780 152.3740 51.55298 152.8561 55.20465 153.3382 58.77676 153.8203 62.25055 154.3024 66.02661 154.7845 69.96686 155.2667 74.24167 155.7488 79.05188 156.2309 87.03168 156.7130 92.84741 157.1951 95.14053 157.6772 93.83105 158.1594 90.94354 158.6415 85.97961 159.1236 80.02301 159.6057 74.04236 160.0878 68.58508 160.5699 62.95761 161.0521 56.55762 161.5342 49.21347 162.0163 42.53568 162.4984 37.11435 162.9805 32.65988 163.4626 28.80930 163.9448 25.86172 164.4269 23.16098 164.9090 20.26059 165.3911 17.03488 165.8732 14.10568 166.3553 11.74481 166.8375 9.885742 167.3196 8.420013 167.8017 7.316254 168.2838 6.572906 168.7659 6.412476 169.2480 7.146027 169.7302 7.399689 170.2123 5.665771 170.6944 2.734528 171.1765 0.3700560 171.6586 0.4005740 172.1407 0.2567140 172.6229 0.3037410 173.1050 1.431366 173.5871 2.291504 174.0692 1.660553 174.5513 0.2974550 175.0334 0.1919860 175.5156 0.8901980 175.9977 2.716034 176.4798 3.969086 176.9619 4.732910 177.4440 4.486359 177.9261 4.532196 178.4083 4.898682 178.8904 5.402313 179.3725 5.950684 179.8546 6.398102 180.3367 6.819061 180.8188 7.380005 181.3010 7.827789 181.7831 7.668060 182.2652 7.021881 182.7473 6.292389 183.2294 5.433380 183.7115 4.680725 184.1937 4.858856 184.6758 6.574097 185.1579 8.745575 185.6400 9.508026 186.1221 8.892731 186.6042 7.829315 187.0864 6.872650 187.5685 6.036102 188.0506 5.426147 188.5327 5.137207 189.0148 5.025757 189.4969 4.777466 189.9791 4.391724 190.4612 3.959442 190.9433 3.472168 191.4254 2.962799 191.9075 2.688995 192.3896 2.762177 192.8718 3.087891 193.3539 3.507690 193.8360 4.068054 194.3181 4.412170 194.8002 4.092987 195.2823 3.123566 195.7645 2.215424 196.2466 1.480255 196.7287 0.9251400 197.2108 0.5268250 197.6929 0.2223510 198.1750 0.3073730 198.6572 1.254913 199.1393 3.320984 199.6214 4.642548 200.1035 4.451935 200.5856 3.091400 201.0677 2.723511 201.5499 3.543457 202.0320 4.693207 202.5141 5.406403 202.9962 5.673859 203.4783 5.619385 203.9604 5.241272 204.4426 4.568207 204.9247 3.685577 205.4068 2.472351 205.8889 1.398041 206.3710 1.186615 206.8531 2.152924 207.3353 2.332611 207.8174 0.8346860 208.2995 2.114868 208.7816 3.346741 209.2637 2.490387 209.7458 0.6391910 210.2280 1.619537 210.7101 4.967804 211.1922 6.047394 211.6743 3.119659 212.1564 3.578400 212.6385 7.178680 213.1207 6.738464 213.6028 4.692566 214.0849 3.472351 214.5670 3.323364 215.0491 3.291107 215.5313 3.153107 216.0134 2.910614 216.4955 2.941528 216.9776 3.423187 217.4597 3.932312 217.9418 4.031311 218.4239 3.643707 218.9061 3.044373 219.3882 2.220154 219.8703 1.178955 220.3524 0.2895510 220.8345 0.3494870 221.3166 0.9386600 221.7988 1.693542 222.2809 2.650879 222.7630 3.648071 223.2451 4.512939 223.7272 5.245911 224.2093 6.810852 224.6915 9.858215 225.1736 13.04108 225.6557 14.79767 226.1378 14.26288 226.6199 14.23975 227.1020 15.35193 227.5842 17.61755 228.0663 19.88287 228.5484 22.27594 229.0305 24.56018 229.5126 26.39917 229.9947 27.21185 230.4769 28.76398 230.9590 31.48834 231.4411 35.37006 231.9232 39.43658 232.4053 43.82434 232.8874 48.29974 233.3696 52.53326 233.8517 55.75885 234.3338 60.31342 234.8159 67.08527 235.2980 76.07166 235.7801 83.70154 236.2623 89.68127 236.7444 94.64111 237.2265 99.07996 237.7086 103.0250 238.1907 106.4468 238.6728 109.5728 239.1550 112.3376 239.6371 113.4539 240.1192 112.2312 240.6013 110.1357 241.0834 108.2951 241.5655 106.9053 242.0477 105.3788 242.5298 103.5046 243.0119 101.3467 243.4940 99.62848 243.9761 98.43829 244.4582 97.56854 244.9404 96.82697 245.4225 95.95367 245.9046 95.74188 246.3867 96.38171 246.8688 97.78729 247.3509 99.32074 247.8331 100.7003 248.3152 102.5724 248.7973 105.4374 249.2794 109.8358 249.7615 114.0453 250.2436 117.3627 250.7258 120.3257 251.2079 125.4509 251.6900 133.2136 252.1721 142.4645 252.6542 152.6377 253.1363 163.6714 253.6185 175.5479 254.1006 188.0473 254.5827 201.3402 255.0648 215.7996 255.5469 230.8254 256.0291 247.7089 256.5112 267.6347 256.9933 292.8019 257.4754 315.8646 257.9575 337.2573 258.4396 356.2671 258.9218 371.0950 259.4039 384.5738 259.8860 388.9814 260.3681 379.9949 260.8502 354.3327 261.3323 323.8447 261.8145 286.4344 262.2966 245.7155 262.7787 208.6125 263.2608 174.6447 263.7429 145.1544 264.2250 120.4795 264.7072 101.1358 265.1893 85.57965 265.6714 74.73242 266.1535 66.86914 266.6356 59.40588 267.1177 52.43488 267.5999 45.83868 268.0820 39.36157 268.5641 32.69708 269.0462 27.53308 269.5283 24.11993 270.0104 21.62128 270.4926 19.20819 270.9747 17.16046 271.4568 15.27765 271.9389 13.29449 272.4210 11.12402 272.9031 9.955383 273.3853 10.19397 273.8674 10.74469 274.3495 9.904846 274.8316 7.228027 275.3137 5.359985 275.7958 5.340759 276.2780 7.012329 276.7601 7.818665 277.2422 7.504456 277.7243 6.995361 278.2064 7.297546 278.6885 8.485718 279.1707 9.615784 279.6528 10.33417 280.1349 10.83185 280.6170 12.03656 281.0991 14.07782 281.5812 16.44769 282.0634 19.00726 282.5455 21.83313 283.0276 23.49341 283.5097 23.43036 283.9918 22.20752 284.4739 21.34973 284.9561 20.80212 285.4382 21.02496 285.9203 22.52856 286.4024 25.24237 286.8845 28.37183 287.3666 31.87610 287.8488 35.56989 288.3309 38.98279 288.8130 42.10022 289.2951 45.26050 289.7772 48.71899 290.2593 52.40295 290.7415 56.21869 291.2236 60.25287 291.7057 64.08594 292.1878 67.01660 292.6699 69.07635 293.1520 70.61572 293.6342 71.86780 294.1163 72.76379 294.5984 73.01794 295.0805 72.61786 295.5626 71.61737 296.0447 70.07758 296.5269 67.99359 297.0090 65.32117 297.4911 61.46704 297.9732 57.08997 298.4553 53.73761 298.9374 51.46948 299.4196 49.80554 299.9017 48.66913 300.3838 47.81464 300.8659 46.57123 301.3480 44.22028 301.8301 41.55719 302.3123 39.86310 302.7944 39.09595 303.2765 38.51892 303.7586 37.42267 304.2407 36.10535 304.7228 35.11554 305.2050 34.90649 305.6871 34.83215 306.1692 34.44617 306.6513 33.69135 307.1334 32.21252 307.6155 29.02728 308.0977 25.21991 308.5798 22.23145 309.0619 20.69574 309.5440 19.46051 310.0261 17.68860 310.5082 15.46307 310.9904 13.04944 311.4725 10.16846 311.9546 7.363037 312.4367 5.066833 312.9188 3.329590 313.4009 2.172546 313.8831 1.964294 314.3652 2.343567 314.8473 2.622498 315.3294 2.647461 315.8115 2.389832 316.2936 1.629456 316.7758 0.2130740 317.2579 0.7387700 317.7400 0.3735960 318.2221 0.6334230 318.7042 1.426453 319.1863 1.529236 319.6685 1.553162 320.1506 1.611145 320.6327 1.707825 321.1148 2.229919 321.5969 3.339783 322.0790 4.887695 322.5612 6.775269 323.0433 9.272522 323.5254 11.77875 324.0075 14.17212 324.4896 16.46472 324.9717 18.69086 325.4539 21.61267 325.9360 23.98010 326.4181 25.06140 326.9002 24.01135 327.3823 22.69574 327.8644 21.43396 328.3466 20.02051 328.8287 17.82159 329.3108 13.32477 329.7929 9.397156 330.2750 7.221558 330.7571 7.827148 331.2393 7.669556 331.7214 6.243835 332.2035 4.269165 332.6856 2.933655 333.1677 2.597656 333.6498 2.373169 334.1320 1.984131 334.6141 1.344788 335.0962 1.288696 335.5783 2.330322 336.0604 3.370117 336.5425 2.994751 337.0247 0.1204220 337.5068 1.364136 337.9889 4.1870002E-02 338.4710 3.670349 338.9531 5.204651 339.4352 3.705566 339.9173 1.823242 340.3994 1.903931 340.8816 4.363831 341.3637 5.898132 341.8458 5.774292 342.3279 4.811523 342.8100 5.147461 343.2921 6.890747 343.7743 9.215088 344.2564 12.14917 344.7385 15.63202 345.2206 17.46667 345.7027 17.20673 346.1848 16.06146 346.6670 15.69275 347.1491 16.11499 347.6312 17.45038 348.1133 20.63873 348.5954 24.90283 349.0775 27.15375 349.5597 27.12921 350.0418 26.47479 350.5239 27.33978 351.0060 29.21881 351.4881 30.41040 351.9702 29.99738 352.4524 28.92932 352.9345 28.53882 353.4166 28.79736 353.8987 29.43488 354.3808 30.27979 354.8629 31.36871 355.3451 32.82294 355.8272 34.88025 356.3093 36.86365 356.7914 37.83411 357.2735 38.19476 357.7556 39.02258 358.2378 41.07831 358.7199 43.72784 359.2020 46.39343 359.6841 48.94482 360.1662 51.86713 360.6483 55.57983 361.1305 59.79590 361.6126 64.11450 362.0947 68.43341 362.5768 72.78375 363.0589 76.98407 363.5410 81.05377 364.0232 85.90302 364.5053 93.47577 364.9874 101.0720 365.4695 106.5946 365.9516 109.4435 366.4337 110.3780 366.9159 109.5897 367.3980 107.0353 367.8801 102.5153 368.3622 94.90869 368.8443 86.23859 369.3264 77.19836 369.8086 66.64874 370.2907 57.78314 370.7728 51.08600 371.2549 45.91516 371.7370 41.32703 372.2191 37.57043 372.7013 34.02069 373.1834 30.40710 373.6655 26.60419 374.1476 23.89307 374.6297 22.82153 375.1118 22.24274 375.5940 21.04553 376.0761 18.96515 376.5582 17.19720 377.0403 16.08374 377.5224 15.42914 378.0045 14.09985 378.4867 11.83899 378.9688 9.952820 379.4509 9.597961 379.9330 10.81403 380.4151 11.47388 380.8972 11.43555 381.3794 10.72534 381.8615 9.055359 382.3436 6.430420 382.8257 4.144714 383.3078 2.702698 383.7899 2.025330 384.2721 2.088928 384.7542 2.973511 385.2363 3.681030 385.7184 2.877991 386.2005 1.086182 386.6826 0.3013310 387.1648 0.8020020 387.6469 0.7257080 388.1290 0.2701420 388.6111 0.5025630 389.0932 1.223694 389.5753 1.915894 390.0575 2.327148 390.5396 2.067871 391.0217 0.8751220 391.5038 0.3771970 391.9859 1.189514 392.4680 1.623169 392.9502 1.798218 393.4323 1.634827 393.9144 1.333191 394.3965 0.8373410 394.8786 0.1204830 395.3607 6.2683001E-02 395.8429 1.111572 396.3250 2.628418 396.8071 3.566650 397.2892 3.427856 397.7713 3.012085 398.2534 2.336487 398.7356 1.468018 399.2177 0.7412720 399.6998 0.2922360 400.1819 9.8876998E-02 400.6640 0.5692140 401.1461 1.405518 401.6283 1.715149 402.1104 1.081665 402.5925 0.1122440 403.0746 0.2435910 403.5567 0.3638310 404.0388 0.9555050 404.5210 1.366333 405.0031 1.594299 405.4852 1.146240 405.9673 0.5148320 406.4494 1.845337 406.9315 1.188354 407.4137 1.803955 407.8958 4.056213 408.3779 4.993469 408.8600 5.092834 409.3421 5.622681 409.8242 6.629272 410.3064 7.328064 410.7885 6.745544 411.2706 5.338196 411.7527 5.557312 412.2348 7.688904 412.7169 10.30164 413.1991 11.73541 413.6812 12.25012 414.1633 12.64923 414.6454 13.09607 415.1275 13.67224 415.6096 14.39197 416.0918 15.27887 416.5739 16.57648 417.0560 18.86969 417.5381 21.49670 418.0202 23.66675 418.5023 25.10895 418.9845 26.36664 419.4666 27.51929 419.9487 28.74304 420.4308 30.33643 420.9129 32.40796 421.3951 34.90344 421.8772 38.01428 422.3593 41.74701 422.8414 45.29498 423.3235 48.50330 423.8056 51.38385 424.2878 53.90845 424.7699 55.67957 425.2520 57.55963 425.7341 60.04626 426.2162 62.77252 426.6983 64.51898 427.1805 65.20093 427.6626 64.98157 428.1447 63.92450 428.6268 62.05969 429.1089 59.15454 429.5910 54.67963 430.0732 49.67261 430.5553 45.41675 431.0374 42.14923 431.5195 38.64221 432.0016 34.35840 432.4837 29.61670 432.9659 25.90314 433.4480 23.29840 433.9301 21.19427 434.4122 19.25024 434.8943 17.45807 435.3764 15.72437 435.8586 14.00336 436.3407 12.46600 436.8228 11.25623 437.3049 10.40704 437.7870 10.06354 438.2691 10.83569 438.7513 11.90753 439.2334 11.99731 439.7155 11.15820 440.1976 10.23468 440.6797 9.945618 441.1618 9.886536 441.6440 9.467163 442.1261 8.105042 442.6082 7.192871 443.0903 8.096069 443.5724 10.04480 444.0545 11.34058 444.5367 10.67053 445.0188 9.718994 445.5009 9.294739 445.9830 9.562317 446.4651 9.915039 446.9472 10.19684 447.4294 10.54761 447.9115 11.14136 448.3936 12.14362 448.8757 13.02148 449.3578 13.43756 449.8399 13.64563 450.3221 14.63586 450.8042 17.15759 451.2863 19.47424 451.7684 20.82471 452.2505 20.94806 452.7326 21.09888 453.2148 21.29419 453.6969 21.45447 454.1790 21.60559 454.6611 21.83154 455.1432 21.79822 455.6253 21.43671 456.1075 20.65283 456.5896 18.98633 457.0717 16.43579 457.5538 14.29242 458.0359 13.76575 458.5180 14.25507 459.0002 14.36462 459.4823 13.92133 459.9644 13.31433 460.4465 12.81061 460.9286 12.42865 461.4107 12.25452 461.8929 12.56921 462.3750 12.82751 462.8571 12.30457 463.3392 11.23883 463.8213 10.72308 464.3034 11.70233 464.7856 13.27643 465.2677 14.92804 465.7498 16.56726 466.2319 17.84741 466.7140 18.52380 467.1961 18.84558 467.6783 19.13983 468.1604 19.05640 468.6425 19.36932 469.1246 20.44135 469.6067 22.16870 470.0888 23.30994 470.5710 23.45795 471.0531 23.56390 471.5352 24.23285 472.0173 25.77667 472.4994 26.76306 472.9815 27.11768 473.4637 26.98804 473.9458 26.23547 474.4279 24.75610 474.9100 24.32135 475.3921 25.74731 475.8742 28.51953 476.3564 31.59943 476.8385 34.97455 477.3206 37.23303 477.8027 36.53094 478.2848 34.03131 478.7669 32.06238 479.2491 30.91284 479.7312 30.38849 480.2133 30.65546 480.6954 31.37445 481.1775 31.91943 481.6596 31.92639 482.1418 31.73694 482.6239 31.36554 483.1060 30.88483 483.5881 30.78601 484.0702 31.63379 484.5523 32.65662 485.0345 33.37634 485.5166 33.58325 485.9987 33.80396 486.4808 34.32623 486.9629 34.83533 487.4450 34.94135 487.9272 35.08875 488.4093 34.17438 488.8914 31.49011 489.3735 27.33301 489.8556 24.58289 490.3377 23.58234 490.8199 23.13782 491.3020 22.85242 491.7841 22.82831 492.2662 21.51385 492.7483 18.57965 493.2304 15.12036 493.7126 12.59094 494.1947 10.91315 494.6768 9.768921 495.1589 9.354065 495.6410 9.142273 496.1231 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