#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:23:18 +0300 (Thu, 24 May 2018) $ #$Revision: 700 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000210.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_1000210 loop_ _publ_author_name 'Winter, J. K.' 'Ghose, S.' _publ_section_title ; Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs T = 25 deg C ; _journal_name_full 'American Mineralogist' _journal_page_first 573 _journal_page_last 586 _journal_volume 64 _journal_year 1979 _chemical_compound_source R060197 _chemical_formula_sum 'Al2 O5 Si' _chemical_name_mineral Andalusite _space_group_IT_number 58 _symmetry_space_group_name_Hall '-P 2 2n' _symmetry_space_group_name_H-M 'P n n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.7980 _cell_length_b 7.9031 _cell_length_c 5.5566 _cell_volume 342.444 _diffrn_ambient_temperature 298.15 _exptl_crystal_density_diffrn 3.143 _cod_original_formula_sum 'Al2 Si O5' _cod_database_code 9000715 _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 R060197.rod _rod_data_source.block 3500000 _rod_database.code 1000210 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 9000715 COD http://www.crystallography.net/cod/9000715.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 132.1251 0.0000000E+00 132.6072 8.9813001E-02 133.0893 0.2371370 133.5714 0.4335710 134.0535 0.1326220 134.5356 9.2991002E-02 135.0178 0.1314050 135.4999 1.2695000E-02 135.9820 0.3018380 136.4641 0.7595630 136.9462 1.382557 137.4283 2.007721 137.9105 2.648121 138.3926 3.275143 138.8747 3.846718 139.3568 4.382813 139.8389 4.810062 140.3210 5.051159 140.8032 5.050434 141.2853 5.168064 141.7674 5.427197 142.2495 5.789421 142.7316 6.145115 143.2137 6.392887 143.6959 6.263783 144.1780 5.832500 144.6601 4.705353 145.1422 4.296543 145.6243 4.947269 146.1064 6.319584 146.5886 7.147228 147.0707 7.013115 147.5528 6.814915 148.0349 7.072826 148.5170 8.494408 148.9991 9.255863 149.4813 8.956245 149.9634 7.738239 150.4455 6.913918 150.9276 6.702328 151.4097 6.717495 151.8918 6.722286 152.3740 6.675362 152.8561 6.664124 153.3382 6.645317 153.8203 6.620556 154.3024 6.787762 154.7845 7.500069 155.2667 8.240383 155.7488 8.633808 156.2309 8.436131 156.7130 8.076912 157.1951 7.512989 157.6772 6.717419 158.1594 6.243160 158.6415 6.376366 159.1236 6.805626 159.6057 7.229534 160.0878 7.570221 160.5699 7.890491 161.0521 8.214584 161.5342 8.544636 162.0163 8.873363 162.4984 9.389454 162.9805 9.857250 163.4626 9.977928 163.9448 9.187119 164.4269 8.373531 164.9090 8.018936 165.3911 8.217804 165.8732 8.584194 166.3553 9.057007 166.8375 9.557392 167.3196 9.954426 167.8017 10.22186 168.2838 10.34604 168.7659 10.24666 169.2480 9.831203 169.7302 9.525200 170.2123 9.731285 170.6944 10.26973 171.1765 10.73130 171.6586 10.85541 172.1407 10.82808 172.6229 10.88128 173.1050 11.12510 173.5871 11.22664 174.0692 10.76157 174.5513 9.884624 175.0334 9.056786 175.5156 8.524059 175.9977 8.209621 176.4798 8.095444 176.9619 8.189018 177.4440 8.434273 177.9261 8.839691 178.4083 9.361782 178.8904 9.828510 179.3725 10.12805 179.8546 10.27479 180.3367 10.25236 180.8188 9.945969 181.3010 9.852184 181.7831 9.930656 182.2652 9.994644 182.7473 10.14056 183.2294 10.93792 183.7115 12.07099 184.1937 12.84997 184.6758 13.23721 185.1579 13.44762 185.6400 13.79091 186.1221 14.25569 186.6042 14.68513 187.0864 14.80933 187.5685 14.74192 188.0506 14.99183 188.5327 15.76361 189.0148 16.83262 189.4969 17.77979 189.9791 18.65540 190.4612 19.44952 190.9433 20.02509 191.4254 20.44737 191.9075 21.38198 192.3896 23.11343 192.8718 25.37650 193.3539 27.51722 193.8360 29.56673 194.3181 31.38773 194.8002 33.20530 195.2823 35.00618 195.7645 35.38027 196.2466 33.70061 196.7287 30.41312 197.2108 27.17145 197.6929 23.93445 198.1750 20.92099 198.6572 18.27900 199.1393 16.00815 199.6214 14.25703 200.1035 13.22141 200.5856 12.75940 201.0677 12.01156 201.5499 10.88438 202.0320 9.765877 202.5141 9.051872 202.9962 8.777611 203.4783 8.645729 203.9604 8.673550 204.4426 8.815369 204.9247 8.611286 205.4068 7.951580 205.8889 7.225941 206.3710 6.822666 206.8531 6.781891 207.3353 6.860619 207.8174 7.011967 208.2995 7.236614 208.7816 7.548790 209.2637 7.952866 209.7458 8.425011 210.2280 8.936787 210.7101 9.481308 211.1922 10.08855 211.6743 10.77227 212.1564 11.52369 212.6385 12.34138 213.1207 13.26763 213.6028 14.17355 214.0849 14.94896 214.5670 15.61541 215.0491 16.07802 215.5313 16.41982 216.0134 16.63535 216.4955 16.02488 216.9776 14.32121 217.4597 12.15685 217.9418 10.13299 218.4240 8.310974 218.9061 6.500034 219.3882 4.540588 219.8703 2.441662 220.3524 0.9874880 220.8345 0.3917920 221.3167 0.1916050 221.7988 5.7766002E-02 222.2809 0.3763960 222.7630 0.6959270 223.2451 0.9987950 223.7272 1.285614 224.2094 1.579540 224.6915 1.858479 225.1736 2.171551 225.6557 2.593220 226.1378 3.255249 226.6199 3.757813 227.1021 4.048943 227.5842 4.129375 228.0663 3.876717 228.5484 2.957291 229.0305 2.060669 229.5126 1.894638 229.9948 2.902508 230.4769 3.744614 230.9590 4.219975 231.4411 4.326763 231.9232 4.120655 232.4053 3.366928 232.8875 2.545307 233.3696 2.117146 233.8517 2.387489 234.3338 2.445873 234.8159 2.089046 235.2980 1.321774 235.7802 0.6582450 236.2623 0.1398540 236.7444 0.3208240 237.2265 0.7859730 237.7086 1.225082 238.1907 1.743904 238.6729 2.468781 239.1550 3.365395 239.6371 3.828568 240.1192 3.715881 240.6013 3.332733 241.0834 2.857231 241.5656 2.060898 242.0477 1.638985 242.5298 1.763756 243.0119 2.385132 243.4940 3.008591 243.9761 3.678566 244.4583 4.296478 244.9404 4.810524 245.4225 5.296944 245.9046 5.508484 246.3867 5.299400 246.8688 4.754745 247.3510 4.467827 247.8331 4.518555 248.3152 4.724068 248.7973 4.956886 249.2794 5.138245 249.7615 5.535194 250.2437 6.253960 250.7258 7.214424 251.2079 7.994522 251.6900 8.430794 252.1721 8.919846 252.6542 9.697182 253.1364 10.81914 253.6185 12.06870 254.1006 13.36907 254.5827 14.78546 255.0648 16.53268 255.5469 18.58217 256.0291 20.97104 256.5112 23.55718 256.9933 25.79997 257.4754 29.74431 257.9575 35.85979 258.4396 43.61038 258.9218 51.28948 259.4039 58.87743 259.8860 66.55867 260.3681 74.67467 260.8502 83.83302 261.3323 92.13450 261.8145 101.0587 262.2966 108.2119 262.7787 107.8846 263.2608 97.77668 263.7429 84.96577 264.2250 71.40196 264.7072 56.17835 265.1893 44.42648 265.6714 36.72453 266.1535 32.12023 266.6356 29.14546 267.1177 28.08384 267.5999 27.83900 268.0820 28.01421 268.5641 28.58231 269.0462 29.83340 269.5283 31.89009 270.0104 34.50748 270.4926 37.28948 270.9747 40.11931 271.4568 43.64806 271.9389 48.17686 272.4210 53.77301 272.9031 59.56612 273.3853 65.64389 273.8674 71.77515 274.3495 77.70699 274.8316 83.64886 275.3137 88.45253 275.7958 91.66769 276.2780 93.37189 276.7601 94.72606 277.2422 95.54207 277.7243 96.47984 278.2064 98.00126 278.6885 100.0218 279.1707 103.3236 279.6528 108.2760 280.1349 114.6442 280.6170 121.2640 281.0991 128.1168 281.5812 135.3409 282.0634 142.8033 282.5455 150.5912 283.0276 159.2270 283.5097 168.8824 283.9918 179.3966 284.4739 190.2959 284.9561 201.5681 285.4382 213.4584 285.9203 226.8396 286.4024 241.4807 286.8845 254.7901 287.3666 266.0437 287.8488 275.8232 288.3309 286.1526 288.8130 297.1269 289.2951 305.5392 289.7772 309.6087 290.2593 309.4108 290.7415 305.2000 291.2236 296.7589 291.7057 284.8829 292.1878 270.2486 292.6699 253.0161 293.1520 234.7437 293.6342 215.8941 294.1163 196.6325 294.5984 178.0254 295.0805 159.8472 295.5626 142.7787 296.0447 127.2976 296.5269 113.3916 297.0090 100.9603 297.4911 90.16280 297.9732 80.81951 298.4553 72.97834 298.9374 66.71441 299.4196 61.31082 299.9017 55.92274 300.3838 50.84565 300.8659 46.96843 301.3480 45.21643 301.8301 44.61372 302.3123 43.76940 302.7944 42.69020 303.2765 41.74889 303.7586 41.43648 304.2407 41.44608 304.7228 41.17828 305.2050 40.12480 305.6871 39.04262 306.1692 38.64906 306.6513 38.92952 307.1334 39.84499 307.6155 41.73608 308.0977 44.13359 308.5798 46.39223 309.0619 48.18366 309.5440 50.17107 310.0261 52.80966 310.5082 56.07129 310.9904 59.85557 311.4725 63.98638 311.9546 68.72199 312.4367 74.35819 312.9188 81.01888 313.4009 88.26494 313.8831 95.55392 314.3652 103.1717 314.8473 111.7664 315.3294 122.4486 315.8115 133.6804 316.2936 144.7973 316.7758 155.8454 317.2579 165.9561 317.7400 175.6408 318.2221 183.9751 318.7042 190.0077 319.1863 194.1896 319.6685 195.3334 320.1506 192.6552 320.6327 186.1109 321.1148 177.3514 321.5969 165.6008 322.0790 152.5394 322.5612 139.3010 323.0433 124.9794 323.5254 111.8369 324.0075 100.5740 324.4896 91.01389 324.9717 82.17984 325.4539 73.62798 325.9360 65.83296 326.4181 59.15627 326.9002 54.28546 327.3823 49.61459 327.8644 44.69949 328.3466 39.86554 328.8287 36.11394 329.3108 34.03110 329.7929 32.51910 330.2750 31.26036 330.7571 30.29836 331.2393 29.45621 331.7214 28.81021 332.2035 28.25236 332.6856 27.59072 333.1677 26.53584 333.6498 25.78521 334.1320 25.54210 334.6141 25.84412 335.0962 26.40807 335.5783 27.45955 336.0604 28.54520 336.5425 29.16257 337.0247 29.04763 337.5068 29.12043 337.9889 29.56170 338.4710 30.35352 338.9531 31.24865 339.4352 32.13954 339.9174 33.36163 340.3995 35.27486 340.8816 38.01996 341.3637 40.73878 341.8458 43.44214 342.3279 46.01164 342.8101 48.05991 343.2922 49.44736 343.7743 50.84650 344.2564 52.67728 344.7385 54.95699 345.2206 57.34338 345.7028 59.81625 346.1849 62.45292 346.6670 65.41302 347.1491 68.67658 347.6312 72.03764 348.1133 75.18314 348.5955 78.39408 349.0776 82.60743 349.5597 87.87397 350.0418 93.86053 350.5239 100.5272 351.0060 107.7128 351.4882 114.6193 351.9703 120.9631 352.4524 126.9328 352.9345 132.5114 353.4166 137.7553 353.8987 143.1895 354.3809 149.6031 354.8630 156.3200 355.3451 162.2769 355.8272 167.4314 356.3093 171.4009 356.7914 174.0881 357.2736 175.3705 357.7557 174.8236 358.2378 171.7611 358.7199 167.0630 359.2020 161.4160 359.6841 154.9002 360.1663 147.4356 360.6484 138.5220 361.1305 128.7354 361.6126 118.8852 362.0947 108.8354 362.5768 99.17512 363.0590 89.94395 363.5411 81.15916 364.0232 73.26210 364.5053 66.66821 364.9874 60.87499 365.4695 55.49146 365.9517 50.30286 366.4338 45.66513 366.9159 41.67964 367.3980 38.28599 367.8801 35.23304 368.3622 32.53632 368.8444 30.16990 369.3265 28.17387 369.8086 26.91376 370.2907 25.34090 370.7728 23.18133 371.2549 20.79650 371.7371 18.78944 372.2192 17.29811 372.7013 15.99052 373.1834 14.81156 373.6655 13.76012 374.1476 12.81068 374.6298 12.10284 375.1119 11.35849 375.5940 10.22321 376.0761 8.468277 376.5582 7.099899 377.0403 6.316780 377.5225 6.047424 378.0046 6.051865 378.4867 6.447891 378.9688 6.692680 379.4509 6.301804 379.9330 5.263313 380.4152 4.481873 380.8973 4.034248 381.3794 3.865250 381.8615 4.067795 382.3436 4.626053 382.8257 4.909813 383.3079 4.339195 383.7900 3.252174 384.2721 2.898209 384.7542 3.336655 385.2363 3.887489 385.7184 3.793991 386.2006 3.270775 386.6827 2.903748 387.1648 2.926720 387.6469 3.142090 388.1290 3.318916 388.6111 3.467896 389.0933 3.647278 389.5754 4.042274 390.0575 4.429390 390.5396 4.567131 391.0217 4.427078 391.5038 3.994705 391.9860 3.071014 392.4681 1.867935 392.9502 0.7551270 393.4323 0.1383510 393.9144 0.8624570 394.3965 1.396080 394.8787 1.737190 395.3608 2.055176 395.8429 2.450043 396.3250 2.835884 396.8071 3.138054 397.2892 3.224403 397.7714 3.352455 398.2535 3.581749 398.7356 3.900040 399.2177 4.240906 399.6998 4.913338 400.1819 5.347031 400.6641 5.257355 401.1462 4.285454 401.6283 3.529099 402.1104 3.075150 402.5925 2.797256 403.0746 2.508156 403.5568 2.233688 404.0389 1.896362 404.5210 1.428947 405.0031 0.8311920 405.4852 0.4573970 405.9673 0.4013370 406.4495 0.3917850 406.9316 0.1893010 407.4137 0.2291720 407.8958 0.6737140 408.3779 1.137497 408.8600 1.594879 409.3422 1.971550 409.8243 2.262520 410.3064 2.535767 410.7885 2.817719 411.2706 3.113174 411.7527 3.399872 412.2349 3.655052 412.7170 4.034615 413.1991 4.903458 413.6812 6.086273 414.1633 6.965752 414.6454 7.102562 415.1276 6.979340 415.6097 7.178116 416.0918 7.684135 416.5739 8.400146 417.0560 9.605682 417.5381 10.84445 418.0203 11.54470 418.5024 11.46405 418.9845 11.17109 419.4666 11.09044 419.9487 11.04547 420.4308 10.70772 420.9130 9.398422 421.3951 8.224747 421.8772 7.911461 422.3593 8.590248 422.8414 8.922859 423.3235 8.237640 423.8057 7.227966 424.2878 6.456116 424.7699 6.289200 425.2520 6.030800 425.7341 5.425255 426.2162 4.639084 426.6984 4.271439 427.1805 4.752846 427.6626 5.159348 428.1447 5.050140 428.6268 4.136902 429.1089 3.811546 429.5911 4.343842 430.0732 5.176430 430.5553 5.572723 431.0374 5.385101 431.5195 5.330025 432.0016 5.530708 432.4838 5.996422 432.9659 6.957741 433.4480 8.537575 433.9301 9.840271 434.4122 9.939705 434.8943 9.045509 435.3765 8.718727 435.8586 9.198105 436.3407 10.01138 436.8228 10.48439 437.3049 10.71566 437.7870 11.10165 438.2692 11.99098 438.7513 13.07991 439.2334 13.94968 439.7155 14.60143 440.1976 15.15268 440.6797 15.54049 441.1619 15.95013 441.6440 16.63462 442.1261 17.76505 442.6082 18.96178 443.0903 19.98819 443.5724 20.91172 444.0546 21.89185 444.5367 22.72064 445.0188 23.81741 445.5009 25.55937 445.9830 28.07318 446.4651 30.32693 446.9473 31.78023 447.4294 33.07995 447.9115 34.75079 448.3936 37.15586 448.8757 39.54719 449.3578 42.01500 449.8400 44.42274 450.3221 46.57970 450.8042 49.14867 451.2863 50.40030 451.7684 49.50484 452.2505 46.22665 452.7327 42.15966 453.2148 37.03147 453.6969 31.65281 454.1790 27.05102 454.6611 23.19179 455.1432 19.98164 455.6254 17.46413 456.1075 15.54157 456.5896 14.15670 457.0717 13.28820 457.5538 12.54239 458.0359 11.56461 458.5181 10.58651 459.0002 10.11443 459.4823 10.18186 459.9644 10.67152 460.4465 11.91866 460.9286 13.47316 461.4108 14.43970 461.8929 13.89994 462.3750 13.15894 462.8571 13.20944 463.3392 13.91553 463.8214 14.69297 464.3035 15.33075 464.7856 15.92796 465.2677 16.55874 465.7498 17.23813 466.2319 17.93516 466.7141 18.57445 467.1962 19.21551 467.6783 19.94766 468.1604 21.01676 468.6425 21.89491 469.1246 22.41105 469.6068 22.61516 470.0889 22.98540 470.5710 23.59034 471.0531 24.24693 471.5352 24.86595 472.0173 25.45426 472.4995 25.94707 472.9816 26.39899 473.4637 26.73121 473.9458 26.73965 474.4279 26.39980 474.9100 26.15303 475.3922 26.17883 475.8743 26.38232 476.3564 26.48738 476.8385 26.49501 477.3206 26.44743 477.8027 26.44683 478.2849 26.40482 478.7670 26.04778 479.2491 25.25113 479.7312 24.52687 480.2133 24.49291 480.6954 24.86654 481.1776 25.12257 481.6597 25.28281 482.1418 25.04496 482.6239 24.01321 483.1060 22.29357 483.5881 20.67006 484.0703 19.47375 484.5524 18.43955 485.0345 17.40197 485.5166 16.31874 485.9987 15.29926 486.4808 14.52157 486.9630 13.77188 487.4451 12.75362 487.9272 11.16933 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