#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:08 +0300 (Thu, 07 Jun 2018) $ #$Revision: 975 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000435.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_1000435 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 R040081 _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 R040081.rod _rod_data_source.block 3500000 _rod_database.code 1000435 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 148.0349 0.0000000E+00 148.5170 3.449646 148.9991 5.833923 149.4813 4.877441 149.9634 1.045410 150.4455 0.3613280 150.9276 5.570801 151.4097 11.85291 151.8918 16.11017 152.3740 16.27496 152.8561 16.87140 153.3382 17.98126 153.8203 19.57635 154.3024 22.50146 154.7845 28.50684 155.2667 34.89172 155.7488 39.75244 156.2309 41.81525 156.7130 43.26544 157.1951 44.67297 157.6772 46.33295 158.1594 46.93268 158.6415 46.13422 159.1236 44.62170 159.6057 43.12573 160.0878 42.46362 160.5699 41.24298 161.0521 38.89874 161.5342 34.57825 162.0163 30.42401 162.4984 27.09967 162.9805 24.25525 163.4626 21.59235 163.9448 19.55481 164.4269 17.31024 164.9090 14.15942 165.3911 9.847412 165.8732 5.831360 166.3553 2.488831 166.8375 1.1047000E-02 167.3196 1.306030 167.8017 0.1645510 168.2838 1.452820 168.7659 2.457764 169.2480 1.244446 169.7302 0.1412960 170.2123 1.218079 170.6944 4.301880 171.1765 6.054321 171.6586 5.816040 172.1407 4.827393 172.6229 3.171631 173.1050 1.037048 173.5871 0.3438110 174.0692 1.015625 174.5513 4.212402 175.0334 6.555115 175.5156 5.512085 175.9977 2.922119 176.4798 1.380615 176.9619 1.392151 177.4440 2.332275 177.9261 4.318298 178.4083 6.970764 178.8904 8.608398 179.3725 7.057190 179.8546 3.723022 180.3367 2.212524 180.8188 4.024902 181.3010 6.795776 181.7831 7.173889 182.2652 5.716797 182.7473 4.548889 183.2294 5.440247 183.7115 7.696716 184.1937 8.843689 184.6758 7.977722 185.1579 6.241760 185.6400 5.602600 186.1221 6.025513 186.6042 6.784729 187.0864 7.871338 187.5685 8.998474 188.0506 8.555115 188.5327 5.342224 189.0148 1.139526 189.4969 0.3818970 189.9791 3.223267 190.4612 6.318848 190.9433 6.797607 191.4254 4.916504 191.9075 2.748474 192.3896 0.4015500 192.8718 1.707153 193.3539 2.086853 193.8360 0.5466920 194.3181 1.247192 194.8002 1.505737 195.2823 0.2800290 195.7645 0.2418820 196.2466 0.6790160 196.7287 2.610840 197.2108 3.733521 197.6929 3.877625 198.1750 3.880981 198.6572 4.795349 199.1393 6.679138 199.6214 7.693054 200.1035 7.029114 200.5856 5.070313 201.0677 4.227844 201.5499 4.716248 202.0320 5.603027 202.5141 6.025269 202.9962 5.960999 203.4783 5.731201 203.9604 5.443787 204.4426 5.093018 204.9247 4.421021 205.4068 3.300537 205.8889 2.313232 206.3710 1.988525 206.8531 2.469727 207.3353 2.970825 207.8174 3.452393 208.2995 3.876343 208.7816 3.508545 209.2637 2.039429 209.7458 0.3765870 210.2280 0.4654540 210.7101 0.2500000 211.1922 0.1353760 211.6743 0.3593750 212.1564 0.9304200 212.6385 1.871704 213.1207 3.512695 213.6028 5.010498 214.0849 5.356812 214.5670 4.158691 215.0491 3.036865 215.5313 2.354980 216.0134 2.105835 216.4955 1.919678 216.9776 1.971069 217.4597 1.836548 217.9418 0.9595950 218.4240 0.9870610 218.9061 2.761108 219.3882 4.019897 219.8703 4.741943 220.3524 5.740845 220.8345 7.055054 221.3167 8.570313 221.7988 10.29797 222.2809 12.49280 222.7630 14.23438 223.2451 15.15576 223.7272 15.25989 224.2094 15.72510 224.6915 16.54712 225.1736 17.72266 225.6557 19.49316 226.1378 22.52991 226.6199 24.62683 227.1021 24.84180 227.5842 23.16736 228.0663 23.39209 228.5484 26.36011 229.0305 30.31580 229.5126 33.71777 229.9948 36.56763 230.4769 38.77014 230.9590 39.89441 231.4411 39.89087 231.9232 41.41016 232.4053 44.99695 232.8875 49.45178 233.3696 53.61389 233.8517 56.61914 234.3338 61.09705 234.8159 67.96069 235.2980 77.22229 235.7802 85.41113 236.2623 92.14307 236.7444 98.24780 237.2265 104.4617 237.7086 111.2244 238.1907 117.3115 238.6729 122.8589 239.1550 127.7867 239.6371 130.6135 240.1192 130.7004 240.6013 129.3927 241.0834 127.8031 241.5656 126.4224 242.0477 123.6342 242.5298 118.2616 243.0119 110.7675 243.4940 106.2668 243.9761 106.3868 244.4583 107.5543 244.9404 107.1064 245.4225 103.7401 245.9046 101.3801 246.3867 100.5940 246.8688 101.1232 247.3510 101.8269 247.8331 102.9073 248.3152 104.1383 248.7973 105.3180 249.2794 105.9801 249.7615 107.6420 250.2437 110.5978 250.7258 114.5709 251.2079 118.3566 251.6900 121.2377 252.1721 125.2534 252.6542 131.7526 253.1364 141.8022 253.6185 151.4369 254.1006 160.0276 254.5827 168.1251 255.0648 177.4825 255.5469 188.0149 256.0291 199.7545 256.5112 212.9243 256.9933 228.3730 257.4754 243.4895 257.9575 258.9988 258.4396 273.9357 258.9218 285.4833 259.4039 294.8229 259.8860 298.8577 260.3681 296.3466 260.8502 287.2129 261.3323 270.7587 261.8145 244.2441 262.2966 212.1324 262.7787 183.5504 263.2608 158.9465 263.7429 136.7389 264.2250 115.6727 264.7072 95.16797 265.1893 78.88672 265.6714 67.55896 266.1535 59.94043 266.6356 54.21655 267.1177 50.90198 267.5999 47.90808 268.0820 44.39783 268.5641 40.26721 269.0462 36.86023 269.5283 34.43396 270.0104 32.34717 270.4926 29.47913 270.9747 25.45740 271.4568 21.84851 271.9389 19.38037 272.4210 18.19556 272.9031 16.91052 273.3853 15.43701 273.8674 13.95642 274.3495 12.66443 274.8316 11.49292 275.3137 10.75879 275.7958 10.79456 276.2780 11.53503 276.7601 11.35522 277.2422 9.836060 277.7243 8.401245 278.2064 8.964966 278.6885 11.84680 279.1707 13.76135 279.6528 13.68091 280.1349 12.01660 280.6170 10.71997 281.0991 9.725464 281.5812 9.431152 282.0634 10.75720 282.5455 13.81262 283.0276 15.52966 283.5097 14.93750 283.9918 12.87891 284.4739 11.92639 284.9561 12.14526 285.4382 12.99194 285.9203 14.14258 286.4024 15.57056 286.8845 17.24231 287.3666 19.14819 287.8488 21.22803 288.3309 23.41296 288.8130 25.69727 289.2951 27.87000 289.7772 29.91541 290.2593 31.75415 290.7415 32.94592 291.2236 33.23560 291.7057 33.32605 292.1878 34.42883 292.6699 36.48364 293.1520 38.67444 293.6342 41.03918 294.1163 43.25415 294.5984 43.93396 295.0805 42.86182 295.5626 41.01477 296.0447 39.45190 296.5269 38.13513 297.0090 36.84509 297.4911 35.34192 297.9732 33.80334 298.4553 32.56580 298.9374 31.61047 299.4196 31.10327 299.9017 32.12012 300.3838 33.83740 300.8659 33.94763 301.3480 29.90613 301.8301 24.52979 302.3123 22.12744 302.7944 22.60742 303.2765 24.01453 303.7586 25.31897 304.2407 26.37244 304.7228 26.95752 305.2050 27.04529 305.6871 26.60010 306.1692 25.38611 306.6513 23.50439 307.1334 21.52490 307.6155 19.56665 308.0977 17.81592 308.5798 16.61353 309.0619 16.43433 309.5440 16.09692 310.0261 14.60803 310.5082 12.16260 310.9904 9.362427 311.4725 5.650269 311.9546 2.176514 312.4367 4.3090999E-02 312.9188 0.3472900 313.4009 0.1343990 313.8831 3.6619999E-03 314.3652 0.2385250 314.8473 0.9709470 315.3294 3.836304 315.8115 6.189087 316.2936 5.890869 316.7758 2.300903 317.2579 0.8129880 317.7400 1.698730 318.2221 1.195557 318.7042 0.3941650 319.1863 0.8140870 319.6685 1.859741 320.1506 2.300415 320.6327 2.111328 321.1148 2.362427 321.5969 3.333618 322.0790 4.880005 322.5612 6.916626 323.0433 10.58459 323.5254 13.48645 324.0075 14.72571 324.4896 14.50891 324.9717 14.43555 325.4539 14.72034 325.9360 15.25671 326.4181 15.98853 326.9002 17.67297 327.3823 18.60278 327.8644 18.43237 328.3466 17.40283 328.8287 16.24268 329.3108 13.95410 329.7929 12.44446 330.2750 12.75732 330.7571 16.96130 331.2393 18.23938 331.7214 14.72302 332.2035 8.960815 332.6856 5.080444 333.1677 3.594116 333.6498 3.278320 334.1320 4.248657 334.6141 6.803101 335.0962 8.069458 335.5783 7.273560 336.0604 5.659790 336.5425 5.026978 337.0247 6.158081 337.5068 6.592773 337.9889 5.407349 338.4710 2.715210 338.9531 1.413086 339.4352 1.816895 339.9174 3.222778 340.3995 5.372925 340.8816 8.531250 341.3637 10.01880 341.8458 9.020996 342.3279 6.878662 342.8101 7.070435 343.2922 9.768433 343.7743 12.62915 344.2564 14.56738 344.7385 15.69763 345.2206 16.52222 345.7028 17.06531 346.1849 17.29077 346.6670 16.71155 347.1491 15.44666 347.6312 15.23596 348.1133 17.07214 348.5955 20.56335 349.0776 24.77539 349.5597 29.83435 350.0418 34.61023 350.5239 37.75830 351.0060 39.64307 351.4882 41.22620 351.9703 42.76184 352.4524 44.21460 352.9345 45.50427 353.4166 46.64551 353.8987 47.83813 354.3809 48.99426 354.8630 49.81958 355.3451 50.10596 355.8272 49.30115 356.3093 48.95422 356.7914 51.05701 357.2736 54.84265 357.7557 58.16724 358.2378 59.31958 358.7199 59.79993 359.2020 60.75720 359.6841 62.30701 360.1663 64.38696 360.6484 67.07056 361.1305 70.22913 361.6126 73.68738 362.0947 78.15662 362.5768 82.23865 363.0590 84.74854 363.5411 85.71094 364.0232 87.90247 364.5053 93.83752 364.9874 100.5217 365.4695 105.6345 365.9517 108.3600 366.4338 109.8623 366.9159 110.5044 367.3980 110.1603 367.8801 108.3098 368.3622 104.7751 368.8444 99.80322 369.3265 93.26904 369.8086 83.37732 370.2907 75.09607 370.7728 69.31604 371.2549 64.85425 371.7371 59.82471 372.2192 53.71655 372.7013 47.69116 373.1834 41.99731 373.6655 36.57227 374.1476 31.82703 374.6298 27.81421 375.1119 24.54370 375.5940 22.16663 376.0761 20.97144 376.5582 19.96814 377.0403 19.09668 377.5225 18.29370 378.0046 17.12659 378.4867 15.46802 378.9688 13.99707 379.4509 13.44275 379.9330 13.84009 380.4152 13.23303 380.8973 11.15942 381.3794 8.593628 381.8615 7.218994 382.3436 6.995117 382.8257 7.048828 383.3079 7.158081 383.7900 7.227051 384.2721 6.813354 384.7542 5.869385 385.2363 4.953857 385.7184 4.758789 386.2006 5.045288 386.6827 5.198364 387.1648 5.164673 387.6469 4.774780 388.1290 3.420532 388.6111 1.330200 389.0933 0.2747800 389.5754 0.2564700 390.0575 0.5628660 390.5396 1.353760 391.0217 2.175903 391.5038 2.385498 391.9860 0.5845950 392.4681 2.063232 392.9502 3.452271 393.4323 0.6279300 393.9144 2.126953 394.3965 1.581787 394.8787 2.642944 395.3608 5.676636 395.8429 4.691528 396.3250 2.278564 396.8071 0.7481690 397.2892 1.809692 397.7714 2.501953 398.2535 1.593750 398.7356 0.4477540 399.2177 1.274292 399.6998 1.153931 400.1819 3.351440 400.6641 3.675537 401.1462 0.6452640 401.6283 1.207764 402.1104 1.244873 402.5925 0.3931880 403.0746 5.5420000E-02 403.5568 0.3808590 404.0389 0.9470210 404.5210 1.798462 405.0031 2.930420 405.4852 3.321899 405.9673 2.605469 406.4495 1.836426 406.9316 2.143433 407.4137 3.765991 407.8958 4.615601 408.3779 4.206543 408.8600 3.067627 409.3422 2.698853 409.8243 3.182373 410.3064 3.239136 410.7885 1.083008 411.2706 2.403931 411.7527 2.310303 412.2349 2.016724 412.7170 7.146973 413.1991 8.585205 413.6812 7.364868 414.1633 6.873779 414.6454 8.744507 415.1276 11.66663 415.6097 14.50293 416.0918 17.07520 416.5739 18.35791 417.0560 16.31555 417.5381 13.11743 418.0203 11.45557 418.5024 12.36450 418.9845 13.57886 419.4666 13.65125 419.9487 13.03088 420.4308 12.54346 420.9130 12.21814 421.3951 12.36609 421.8772 13.10803 422.3593 14.43311 422.8414 16.46326 423.3235 20.29358 423.8057 24.27100 424.2878 27.02649 424.7699 27.64587 425.2520 27.89246 425.7341 27.23938 426.2162 26.21326 426.6984 26.86096 427.1805 31.36780 427.6626 34.99597 428.1447 35.38501 428.6268 30.77124 429.1089 29.83643 429.5911 35.23279 430.0732 41.49707 430.5553 41.06848 431.0374 31.92395 431.5195 24.06543 432.0016 19.83020 432.4838 18.61768 432.9659 17.75037 433.4480 17.27209 433.9301 16.81909 434.4122 16.46179 434.8943 16.05481 435.3765 14.26184 435.8586 10.64490 436.3407 6.617920 436.8228 3.852905 437.3049 2.307983 437.7870 1.807007 438.2692 3.143799 438.7513 5.094604 439.2334 5.907593 439.7155 5.629517 440.1976 4.964355 440.6797 3.571167 441.1619 2.413086 441.6440 2.873047 442.1261 6.265747 442.6082 9.483521 443.0903 10.83716 443.5724 10.68494 444.0546 9.803589 444.5367 6.638184 445.0188 4.332764 445.5009 4.998169 445.9830 9.248779 446.4651 12.29944 446.9473 12.20129 447.4294 11.19592 447.9115 11.15637 448.3936 13.65686 448.8757 15.22534 449.3578 15.20374 449.8400 14.12671 450.3221 13.63049 450.8042 14.33337 451.2863 14.93396 451.7684 14.34021 452.2505 12.03687 452.7327 12.30017 453.2148 16.24170 453.6969 20.74097 454.1790 21.34705 454.6611 17.85999 455.1432 14.98303 455.6254 13.60608 456.1075 13.75842 456.5896 16.27100 457.0717 21.02307 457.5538 25.63098 458.0359 29.49231 458.5181 32.01685 459.0002 31.44507 459.4823 27.16101 459.9644 22.12598 460.4465 19.26270 460.9286 17.83569 461.4108 16.56726 461.8929 14.63416 462.3750 13.04150 462.8571 12.62280 463.3392 13.21680 463.8214 14.14502 464.3035 15.63403 464.7856 17.02417 465.2677 17.75403 465.7498 17.35583 466.2319 17.41565 466.7141 19.04651 467.1962 21.10999 467.6783 22.16565 468.1604 20.50806 468.6425 19.47913 469.1246 19.64941 469.6068 21.07800 470.0889 22.55652 470.5710 24.05774 471.0531 25.17200 471.5352 25.54443 472.0173 24.83960 472.4995 24.63379 472.9816 25.04004 473.4637 25.83826 473.9458 26.76648 474.4279 27.85669 474.9100 28.82288 475.3922 29.59009 475.8743 30.18127 476.3564 30.70740 476.8385 31.17163 477.3206 31.33069 477.8027 30.74805 478.2849 29.75110 478.7670 28.91028 479.2491 28.20642 479.7312 28.02576 480.2133 28.04089 480.6954 28.88501 481.1776 31.77026 481.6597 40.85535 482.1418 49.02161 482.6239 51.48279 483.1060 48.71704 483.5881 44.46021 484.0703 37.54431 484.5524 31.45361 485.0345 28.39600 485.5166 29.50415 485.9987 31.89746 486.4808 36.97058 486.9630 42.54810 487.4451 45.73926 487.9272 46.68066 488.4093 44.96594 488.8914 39.35645 489.3735 30.48987 489.8557 24.48120 490.3378 21.93567 490.8199 20.71423 491.3020 19.92480 491.7841 19.66626 492.2662 18.55981 492.7484 16.39844 493.2305 13.83105 493.7126 11.57666 494.1947 9.647339 494.6768 8.394043 495.1589 8.356934 495.6411 8.643555 496.1232 7.287598 496.6053 4.546509 497.0874 2.370483 497.5695 2.431519 498.0516 3.480469 498.5338 4.117798 499.0159 4.118652 499.4980 3.927979 499.9801 3.687256 500.4622 3.441650 500.9443 3.248047 501.4265 3.577637 501.9086 3.498047 502.3907 2.139771 502.8728 2.4410000E-03 503.3549 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