#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:22:03 +0300 (Thu, 24 May 2018) $ #$Revision: 680 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000200.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_1000200 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 R050626 _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 R050626.rod _rod_data_source.block 3500000 _rod_database.code 1000200 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 98.85901 0.0000000E+00 99.34113 0.1978750 99.82324 0.2368910 100.3054 8.8138998E-02 100.7875 1.4352000E-02 101.2696 4.5430999E-02 101.7517 0.1865240 102.2338 0.2780950 102.7159 0.3293170 103.1981 0.3674200 103.6802 0.3496580 104.1623 0.2754010 104.6444 0.2183340 105.1265 0.2123270 105.6086 0.3181270 106.0908 0.3536040 106.5729 0.2544700 107.0550 0.1359220 107.5371 4.7006998E-02 108.0192 1.3910000E-02 108.5013 1.2107000E-02 108.9835 4.9345002E-02 109.4656 9.5801003E-02 109.9477 8.2470998E-02 110.4298 8.9161001E-02 110.9119 0.2660640 111.3940 0.3483450 111.8762 0.2085190 112.3583 9.8352998E-02 112.8404 7.2725996E-02 113.3225 0.1425810 113.8046 0.1970100 114.2867 0.1834350 114.7689 0.1598220 115.2510 0.1886220 115.7331 0.2796960 116.2152 0.4292030 116.6973 0.6773260 117.1794 1.074219 117.6616 1.361246 118.1437 1.393658 118.6258 1.260124 119.1079 1.105374 119.5900 0.8828950 120.0721 0.7235830 120.5543 0.7484690 121.0364 1.057625 121.5185 1.348217 122.0006 1.357294 122.4827 1.182157 122.9648 1.102320 123.4470 1.392220 123.9291 1.822119 124.4112 2.123466 124.8933 2.184067 125.3754 2.175663 125.8575 2.280584 126.3397 2.480962 126.8218 2.668200 127.3039 2.705361 127.7860 2.672617 128.2681 2.736079 128.7502 2.977284 129.2324 3.315301 129.7145 3.633041 130.1966 3.932230 130.6787 4.182467 131.1608 4.371836 131.6429 4.493126 132.1251 4.512294 132.6072 4.336360 133.0893 4.052999 133.5714 3.988253 134.0535 4.173121 134.5356 4.431993 135.0178 4.538676 135.4999 4.488904 135.9820 4.448453 136.4641 4.461858 136.9462 4.529723 137.4283 4.697713 137.9105 4.990343 138.3926 5.341902 138.8747 5.659001 139.3568 5.956235 139.8389 6.171867 140.3210 6.265443 140.8032 6.217338 141.2853 6.156225 141.7674 6.087302 142.2495 6.003245 142.7316 5.860782 143.2137 5.561470 143.6959 5.278594 144.1780 5.171186 144.6601 5.315606 145.1422 5.423010 145.6243 5.440638 146.1064 5.415251 146.5886 5.551557 147.0707 6.034487 147.5528 6.469479 148.0349 6.634373 148.5170 6.392458 148.9991 6.108348 149.4813 5.731771 149.9634 5.287421 150.4455 5.047276 150.9276 5.236423 151.4097 5.471708 151.8918 5.514750 152.3740 5.088097 152.8561 4.789459 153.3382 4.734875 153.8203 4.916354 154.3024 5.018912 154.7845 5.015744 155.2667 4.943011 155.7488 4.802853 156.2309 4.512192 156.7130 4.315549 157.1951 4.291771 157.6772 4.449089 158.1594 4.570057 158.6415 4.595453 159.1236 4.573145 159.6057 4.553129 160.0878 4.516290 160.5699 4.502747 161.0521 4.529171 161.5342 4.606584 162.0163 4.663928 162.4984 4.684390 162.9805 4.676298 163.4626 4.650927 163.9448 4.510400 164.4269 4.417518 164.9090 4.483452 165.3911 4.762743 165.8732 5.018505 166.3553 5.142160 166.8375 5.160289 167.3196 5.120964 167.8017 4.926620 168.2838 4.770236 168.7659 4.827628 169.2480 5.179327 169.7302 5.515989 170.2123 5.661096 170.6944 5.640054 171.1765 5.507615 171.6586 5.162700 172.1407 4.788692 172.6229 4.590830 173.1050 4.626537 173.5871 4.695188 174.0692 4.596962 174.5513 4.384804 175.0334 4.205552 175.5156 4.161669 175.9977 4.196583 176.4798 4.238455 176.9619 4.290407 177.4440 4.328171 177.9261 4.296104 178.4083 4.212227 178.8904 4.154318 179.3725 4.216398 179.8546 4.335716 180.3367 4.385033 180.8188 4.324171 181.3010 4.214920 181.7831 4.125158 182.2652 4.055871 182.7473 4.013945 183.2294 3.984446 183.7115 3.984105 184.1937 4.071631 184.6758 4.299298 185.1579 4.571445 185.6400 4.714971 186.1221 4.733119 186.6042 4.747485 187.0864 4.824705 187.5685 4.970493 188.0506 5.223542 188.5327 5.659727 189.0148 6.150914 189.4969 6.432415 189.9791 6.498210 190.4612 6.451290 190.9433 6.404797 191.4254 6.342733 191.9075 6.104251 192.3896 5.587500 192.8718 4.908137 193.3539 4.383486 193.8360 4.019338 194.3181 3.759160 194.8002 3.525779 195.2823 3.313927 195.7645 3.252301 196.2466 3.436945 196.7287 3.782638 197.2108 3.929869 197.6929 3.853207 198.1750 3.691696 198.6572 3.555933 199.1393 3.446576 199.6214 3.380675 200.1035 3.374487 200.5856 3.417467 201.0677 3.421988 201.5499 3.361036 202.0320 3.349245 202.5141 3.530491 202.9962 3.931456 203.4783 4.316485 203.9604 4.650307 204.4426 4.927989 204.9247 5.117825 205.4068 5.235578 205.8889 5.224120 206.3710 5.001484 206.8531 4.537814 207.3353 4.011626 207.8174 3.426584 208.2995 2.795275 208.7816 2.298642 209.2637 1.965732 209.7458 1.717809 210.2280 1.459957 210.7101 1.156528 211.1922 0.9851980 211.6743 1.059522 212.1564 1.362406 212.6385 1.374242 213.1207 0.9810470 213.6028 0.4800640 214.0849 0.1843230 214.5670 0.1539820 215.0491 0.1525380 215.5313 0.1457950 216.0134 0.1334710 216.4955 4.8512001E-02 216.9776 0.1597480 217.4597 0.3713680 217.9418 0.4478950 218.4240 0.3269970 218.9061 0.2339260 219.3882 0.2199390 219.8703 0.2862510 220.3524 0.3680700 220.8345 0.4989240 221.3167 0.6042770 221.7988 0.5797840 222.2809 0.3189650 222.7630 0.1872070 223.2451 0.3257510 223.7272 0.7414280 224.2094 0.9191070 224.6915 0.7569550 225.1736 0.4718110 225.6557 0.2798750 226.1378 0.1946350 226.6199 0.1640900 227.1021 0.1904020 227.5842 0.2732650 228.0663 0.3453790 228.5484 0.3807230 229.0305 0.4333910 229.5126 0.5811830 229.9948 0.9558370 230.4769 1.151709 230.9590 1.039128 231.4411 0.6194370 231.9232 0.3234830 232.4053 0.2007750 232.8875 0.1435690 233.3696 6.1815999E-02 233.8517 3.8876999E-02 234.3338 0.1707650 234.8159 0.3014300 235.2980 0.4367320 235.7802 0.7738450 236.2623 1.399824 236.7444 2.133156 237.2265 2.830144 237.7086 3.482954 238.1907 4.119670 238.6729 4.776249 239.1550 5.443115 239.6371 5.962454 240.1192 6.383059 240.6013 6.602547 241.0834 6.506012 241.5656 5.927229 242.0477 5.363245 242.5298 4.887634 243.0119 4.488134 243.4940 4.031355 243.9761 3.459305 244.4583 2.898058 244.9404 2.450451 245.4225 2.205709 245.9046 1.887348 246.3867 1.419682 246.8688 0.8375450 247.3510 0.3800740 247.8331 6.1388001E-02 248.3152 0.1508410 248.7973 0.2643280 249.2794 0.2224030 249.7615 0.1955680 250.2437 0.1698840 250.7258 0.1659980 251.2079 0.3091550 251.6900 0.7192730 252.1721 1.106094 252.6542 1.293585 253.1364 1.204266 253.6185 1.095629 254.1006 0.9856220 254.5827 0.8673930 255.0648 0.7153470 255.5469 0.5172060 256.0291 0.3092120 256.5112 0.1159000 256.9933 4.0403001E-02 257.4754 0.2493880 257.9575 0.5462320 258.4396 0.8889370 258.9218 1.129980 259.4039 1.201414 259.8860 1.301228 260.3681 1.529703 260.8502 1.929604 261.3323 2.337408 261.8145 2.737650 262.2966 3.150667 262.7787 3.627869 263.2608 4.177647 263.7429 4.776993 264.2250 5.455772 264.7072 6.262852 265.1893 6.884226 265.6714 7.179573 266.1535 7.402658 266.6356 8.018290 267.1177 9.118483 267.5999 10.38661 268.0820 11.69029 268.5641 13.01830 269.0462 14.53803 269.5283 16.30586 270.0104 18.23888 270.4926 20.10599 270.9747 21.70156 271.4568 23.99310 271.9389 27.39359 272.4210 31.97360 272.9031 36.68052 273.3853 41.46865 273.8674 46.47248 274.3495 51.69551 274.8316 57.14470 275.3137 62.90393 275.7958 69.45486 276.2780 76.61383 276.7601 82.06741 277.2422 85.64662 277.7243 87.93194 278.2064 88.95327 278.6885 88.42214 279.1707 89.14362 279.6528 91.94966 280.1349 96.55511 280.6170 101.2999 281.0991 106.0109 281.5812 111.4906 282.0634 118.5358 282.5455 127.2855 283.0276 136.3991 283.5097 145.4228 283.9918 154.7542 284.4739 165.6181 284.9561 178.0395 285.4382 191.7870 285.9203 206.5205 286.4024 222.1781 286.8845 240.1100 287.3666 260.6213 287.8488 283.0056 288.3309 306.0162 288.8130 329.6857 289.2951 353.2337 289.7772 378.0248 290.2593 402.8434 290.7415 422.5684 291.2236 437.1348 291.7057 444.9567 292.1878 443.3191 292.6699 432.3376 293.1520 413.2634 293.6342 383.9447 294.1163 346.7245 294.5984 309.7289 295.0805 272.7018 295.5626 237.4884 296.0447 205.3817 296.5269 176.4397 297.0090 150.8627 297.4911 129.3281 297.9732 111.2339 298.4553 96.06143 298.9374 83.91621 299.4196 73.82702 299.9017 65.31454 300.3838 58.23713 300.8659 52.31317 301.3480 47.64449 301.8301 44.01723 302.3123 41.29545 302.7944 39.44016 303.2765 38.03062 303.7586 36.88870 304.2407 35.91835 304.7228 34.90618 305.2050 33.68319 305.6871 32.50374 306.1692 31.62373 306.6513 31.03156 307.1334 30.74190 307.6155 30.87647 308.0977 31.27469 308.5798 31.69541 309.0619 31.95556 309.5440 32.44724 310.0261 33.48294 310.5082 35.01784 310.9904 36.90039 311.4725 39.11355 311.9546 41.61765 312.4367 44.35666 312.9188 47.26181 313.4009 50.56219 313.8831 53.96926 314.3652 57.85191 314.8473 62.95040 315.3294 69.69749 315.8115 77.72624 316.2936 86.90309 316.7758 97.25370 317.2579 108.4218 317.7400 120.9476 318.2221 134.0629 318.7042 147.0394 319.1863 160.5455 319.6685 173.0525 320.1506 185.0719 320.6327 196.6439 321.1148 203.4532 321.5969 203.8738 322.0790 199.1689 322.5612 190.3907 323.0433 174.4471 323.5254 157.9250 324.0075 141.6527 324.4896 125.7202 324.9717 111.2298 325.4539 98.20766 325.9360 86.59052 326.4181 76.47389 326.9002 67.83315 327.3823 60.59894 327.8644 55.08184 328.3466 51.01342 328.8287 47.57941 329.3108 45.03102 329.7929 42.85296 330.2750 40.90455 330.7571 39.09987 331.2393 37.66580 331.7214 36.76554 332.2035 36.17192 332.6856 35.53399 333.1677 34.80537 333.6498 34.09399 334.1320 33.44372 334.6141 32.88733 335.0962 32.20879 335.5783 31.29472 336.0604 30.37674 336.5425 29.70506 337.0247 29.37858 337.5068 29.06432 337.9889 28.69481 338.4710 28.27481 338.9531 27.88987 339.4352 27.51210 339.9174 27.20370 340.3995 27.06039 340.8816 27.12072 341.3637 27.09324 341.8458 26.87887 342.3279 26.62356 342.8101 26.72216 343.2922 27.21768 343.7743 27.70960 344.2564 27.88141 344.7385 27.74433 345.2206 27.82834 345.7028 28.20048 346.1849 28.75775 346.6670 29.26899 347.1491 29.73993 347.6312 30.39822 348.1133 31.33824 348.5955 32.56999 349.0776 34.11983 349.5597 36.00491 350.0418 38.17161 350.5239 40.42757 351.0060 42.89713 351.4882 45.90467 351.9703 49.71757 352.4524 53.98909 352.9345 58.01139 353.4166 61.85168 353.8987 66.13340 354.3809 71.49818 354.8630 77.52457 355.3451 83.54617 355.8272 89.58556 356.3093 95.24835 356.7914 100.3789 357.2736 104.9058 357.7557 108.5032 358.2378 111.4066 358.7199 113.0344 359.2020 112.8356 359.6841 110.6857 360.1663 107.0766 360.6484 101.8214 361.1305 95.38564 361.6126 88.42215 362.0947 80.30478 362.5768 72.47473 363.0590 65.54453 363.5411 59.53191 364.0232 53.95565 364.5053 48.62803 364.9874 43.68863 365.4695 39.24572 365.9517 35.51219 366.4338 32.06511 366.9159 28.75880 367.3980 25.63978 367.8801 22.88424 368.3622 20.60043 368.8444 18.65566 369.3265 17.02396 369.8086 15.88358 370.2907 14.72962 370.7728 13.49322 371.2549 12.23933 371.7371 11.11696 372.2192 10.16322 372.7013 9.332497 373.1834 8.623140 373.6655 8.020662 374.1476 7.411560 374.6298 6.800154 375.1119 6.234291 375.5940 5.759024 376.0761 5.406870 376.5582 4.996464 377.0403 4.448139 377.5225 3.838913 378.0046 3.472166 378.4867 3.383518 378.9688 3.410339 379.4509 3.468330 379.9330 3.564989 380.4152 3.734938 380.8973 3.985085 381.3794 4.254234 381.8615 4.488724 382.3436 4.689966 382.8257 4.746496 383.3079 4.583532 383.7900 4.235512 384.2721 3.776419 384.7542 3.199759 385.2363 2.611128 385.7184 2.059401 386.2006 1.575314 386.6827 1.214666 387.1648 1.047991 387.6469 0.9662190 388.1290 0.8375590 388.6111 0.6692120 389.0933 0.4976880 389.5754 0.3136940 390.0575 0.1518250 390.5396 5.3521998E-02 391.0217 3.5246000E-02 391.5038 4.6719000E-02 391.9860 5.9751999E-02 392.4681 7.6948002E-02 392.9502 0.1018600 393.4323 0.2853110 393.9144 0.3597450 394.3965 9.0147004E-02 394.8787 0.5554030 395.3608 1.109528 395.8429 1.406864 396.3250 1.542439 396.8071 1.603477 397.2892 1.515398 397.7714 1.456362 398.2535 1.452982 398.7356 1.506199 399.2177 1.618925 399.6998 1.922268 400.1819 2.178288 400.6641 2.290641 401.1462 2.252006 401.6283 2.073229 402.1104 1.636229 402.5925 1.111544 403.0746 0.7724530 403.5568 0.7526800 404.0389 0.6840000 404.5210 0.4416310 405.0031 2.3481000E-02 405.4852 0.2565770 405.9673 0.3505990 406.4495 0.4025780 406.9316 0.5360850 407.4137 0.7592120 407.8958 0.9646550 408.3779 1.077969 408.8600 1.222107 409.3422 1.878697 409.8243 3.098261 410.3064 4.012916 410.7885 3.795063 411.2706 2.766826 411.7527 2.527329 412.2349 3.197537 412.7170 4.289999 413.1991 5.396967 413.6812 6.484978 414.1633 7.410673 414.6454 8.113573 415.1276 8.633970 415.6097 8.900928 416.0918 8.958957 416.5739 9.146737 417.0560 9.859669 417.5381 10.76468 418.0203 11.52303 418.5024 12.15043 418.9845 12.40331 419.4666 12.01083 419.9487 11.13889 420.4308 10.11081 420.9130 8.885371 421.3951 7.668888 421.8772 6.519339 422.3593 5.460232 422.8414 4.521377 423.3235 3.763453 423.8057 3.110017 424.2878 2.509472 424.7699 1.918367 425.2520 1.420945 425.7341 1.051871 426.2162 0.7949460 426.6984 0.5696020 427.1805 0.3217270 427.6626 0.1727200 428.1447 0.2090210 428.6268 0.5388120 429.1089 0.6360670 429.5911 0.3730070 430.0732 1.1379000E-02 430.5553 9.6069999E-02 431.0374 0.1335210 431.5195 0.2803730 432.0016 0.2083150 432.4838 1.7062001E-02 432.9659 6.9029003E-02 433.4480 7.4692003E-02 433.9301 0.2512930 434.4122 0.3260650 434.8943 0.3202870 435.3765 0.4090400 435.8586 0.6398530 436.3407 0.8737870 436.8228 0.8395700 437.3049 0.6224370 437.7870 0.5426240 438.2692 0.8055100 438.7513 1.243529 439.2334 1.669215 439.7155 2.079090 440.1976 2.410477 440.6797 2.509378 441.1619 2.552005 441.6440 2.768289 442.1261 3.294437 442.6082 3.832662 443.0903 4.197947 443.5724 4.450215 444.0546 4.722063 444.5367 4.947497 445.0188 5.290586 445.5009 5.820031 445.9830 6.538414 446.4651 7.441078 446.9473 8.730261 447.4294 10.10360 447.9115 11.29278 448.3936 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