#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:47 +0300 (Thu, 24 May 2018) $ #$Revision: 675 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000198.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_1000198 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 R050561 _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 R050561.rod _rod_data_source.block 3500000 _rod_database.code 1000198 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 127.7860 0.0000000E+00 128.2681 4.1343998E-02 128.7502 0.7112660 129.2324 1.914810 129.7145 2.830948 130.1966 3.426468 130.6787 3.645073 131.1608 3.154781 131.6429 2.112011 132.1251 1.351162 132.6072 1.270802 133.0893 1.668846 133.5714 1.818340 134.0535 1.653507 134.5356 1.522915 135.0178 2.008053 135.4999 3.121197 135.9820 4.020035 136.4641 4.171196 136.9462 3.612938 137.4283 3.771366 137.9105 4.812439 138.3926 6.281651 138.8747 7.445847 139.3568 8.289841 139.8389 8.944096 140.3210 9.488567 140.8032 9.964695 141.2853 10.07986 141.7674 9.639503 142.2495 8.952324 142.7316 8.739002 143.2137 8.953163 143.6959 9.075703 144.1780 9.224083 144.6601 9.496086 145.1422 9.571888 145.6243 9.383400 146.1064 9.002834 146.5886 8.700390 147.0707 8.552795 147.5528 8.397366 148.0349 8.151703 148.5170 7.839340 148.9991 7.400311 149.4813 6.680904 149.9634 5.740082 150.4455 5.193188 150.9276 5.331852 151.4097 5.652267 151.8918 5.837456 152.3740 5.709454 152.8561 5.657471 153.3382 5.838169 153.8203 6.238621 154.3024 6.322678 154.7845 5.922791 155.2667 5.266003 155.7488 4.516453 156.2309 3.471035 156.7130 2.568657 157.1951 1.908165 157.6772 1.496525 158.1594 1.221848 158.6415 1.012386 159.1236 0.9472200 159.6057 1.105328 160.0878 1.815914 160.5699 2.468731 161.0521 2.872238 161.5342 3.001392 162.0163 2.954765 162.4984 2.638992 162.9805 2.201496 163.4626 1.829418 163.9448 1.607338 164.4269 1.456947 164.9090 1.346004 165.3911 1.276871 165.8732 1.215775 166.3553 1.119186 166.8375 1.017937 167.3196 0.9658050 167.8017 1.055332 168.2838 1.160046 168.7659 1.180527 169.2480 1.087925 169.7302 0.9780850 170.2123 0.8831210 170.6944 0.8160740 171.1765 0.8055340 171.6586 0.8517070 172.1407 0.9666400 172.6229 1.223053 173.1050 1.751793 173.5871 2.163235 174.0692 1.977768 174.5513 1.379414 175.0334 0.9105800 175.5156 1.001518 175.9977 1.379654 176.4798 1.651390 176.9619 1.738605 177.4440 1.752769 177.9261 1.809639 178.4083 1.899216 178.8904 1.974026 179.3725 1.978119 179.8546 1.948036 180.3367 1.977398 180.8188 2.147324 181.3010 2.273899 181.7831 1.913277 182.2652 1.148697 182.7473 0.6280630 183.2294 1.087654 183.7115 2.187981 184.1937 2.932354 184.6758 3.005737 185.1579 2.786674 185.6400 2.951527 186.1221 3.535789 186.6042 4.096882 187.0864 4.168034 187.5685 3.873158 188.0506 3.778313 188.5327 4.116333 189.0148 4.625473 189.4969 4.611176 189.9791 4.044090 190.4612 3.592335 190.9433 4.138863 191.4254 5.501923 191.9075 6.111839 192.3896 5.345978 192.8718 3.759682 193.3539 2.942223 193.8360 2.907799 194.3181 3.128166 194.8002 3.127197 195.2823 2.920837 195.7645 2.932976 196.2466 3.325600 196.7287 3.998016 197.2108 4.571884 197.6929 5.059540 198.1750 5.443626 198.6572 5.655426 199.1393 5.690788 199.6214 5.810699 200.1035 6.001114 200.5856 6.269882 201.0677 6.830132 201.5499 7.736687 202.0320 8.794136 202.5141 9.857933 202.9962 10.94518 203.4783 11.86503 203.9604 12.56039 204.4426 13.01376 204.9247 13.29819 205.4068 13.49821 205.8889 13.36628 206.3710 12.55717 206.8531 10.93923 207.3353 9.390221 207.8174 8.121666 208.2995 7.113304 208.7816 6.052399 209.2637 4.859680 209.7458 3.783943 210.2280 3.104057 210.7101 2.883492 211.1922 2.840408 211.6743 3.027214 212.1564 3.420532 212.6385 3.313293 213.1207 2.471848 213.6028 1.506172 214.0849 1.069908 214.5670 1.303833 215.0491 1.661148 215.5313 2.139175 216.0134 2.734901 216.4955 2.778091 216.9776 2.019806 217.4597 1.054352 217.9418 0.4893800 218.4240 0.4380040 218.9061 0.5018690 219.3882 0.6038820 219.8703 0.7411730 220.3524 0.9697880 220.8345 1.295868 221.3167 1.699409 221.7988 2.225700 222.2809 3.051834 222.7630 3.557495 223.2451 3.484818 223.7272 2.822380 224.2094 2.519173 224.6915 2.651550 225.1736 3.057617 225.6557 3.662964 226.1378 4.841148 226.6199 5.410767 227.1021 4.859398 227.5842 3.174980 228.0663 2.476303 228.5484 3.360909 229.0305 4.576469 229.5126 4.871429 229.9948 3.611031 230.4769 2.728874 230.9590 2.642563 231.4411 3.351166 231.9232 4.021744 232.4053 4.835663 232.8875 5.427879 233.3696 5.334709 233.8517 3.770378 234.3338 3.106102 234.8159 4.076691 235.2980 6.644608 235.7802 8.267700 236.2623 8.477554 236.7444 8.254318 237.2265 8.406067 237.7086 9.137321 238.1907 9.854408 238.6729 10.51572 239.1550 11.11394 239.6371 11.49914 240.1192 11.56883 240.6013 11.54057 241.0834 11.60938 241.5656 11.95216 242.0477 12.03172 242.5298 11.74416 243.0119 11.11273 243.4940 10.36625 243.9761 9.421463 244.4583 8.458008 244.9404 7.648781 245.4225 7.251541 245.9046 6.448196 246.3867 4.894264 246.8688 2.772392 247.3510 1.374962 247.8331 0.9705730 248.3152 0.9458080 248.7973 0.9713750 249.2794 1.241913 249.7615 1.114838 250.2437 0.3121800 250.7258 0.9513470 251.2079 1.620911 251.6900 1.438469 252.1721 1.029274 252.6542 0.7355190 253.1364 0.5865480 253.6185 0.4875490 254.1006 0.4116060 254.5827 0.3843000 255.0648 0.5040360 255.5469 0.7836840 256.0291 1.187996 256.5112 1.751953 256.9933 2.662315 257.4754 3.243538 257.9575 3.370468 258.4396 3.186874 258.9218 3.109138 259.4039 3.204666 259.8860 3.277710 260.3681 3.264999 260.8502 3.224762 261.3323 2.895065 261.8145 2.166527 262.2966 1.214844 262.7787 0.3928220 263.2608 0.3020250 263.7429 0.8601530 264.2250 1.229385 264.7072 1.300568 265.1893 1.581108 265.6714 2.037155 266.1535 2.726479 266.6356 3.805161 267.1177 5.423073 267.5999 7.059204 268.0820 8.448013 268.5641 9.520210 269.0462 10.97919 269.5283 12.91796 270.0104 15.15862 270.4926 17.45210 270.9747 19.76177 271.4568 22.34792 271.9389 25.28642 272.4210 28.60872 272.9031 32.23650 273.3853 36.21349 273.8674 40.42618 274.3495 44.72777 274.8316 49.23715 275.3137 53.29926 275.7958 56.58251 276.2780 59.16821 276.7601 62.29887 277.2422 66.09413 277.7243 70.12419 278.2064 73.82077 278.6885 77.08506 279.1707 80.84191 279.6528 85.31801 280.1349 90.45950 280.6170 95.99675 281.0991 101.9251 281.5812 108.3007 282.0634 114.9791 282.5455 122.0389 283.0276 129.8168 283.5097 138.3677 283.9918 147.6952 284.4739 157.6853 284.9561 168.2779 285.4382 179.9855 285.9203 193.6578 286.4024 209.0638 286.8845 224.4463 287.3666 239.4166 287.8488 254.1417 288.3309 269.4417 288.8130 285.3676 289.2951 299.5991 289.7772 311.4813 290.2593 320.6141 290.7415 325.3856 291.2236 325.6709 291.7057 321.3699 292.1878 311.6547 292.6699 296.7039 293.1520 278.5581 293.6342 257.4656 294.1163 233.9766 294.5984 210.2111 295.0805 185.7709 295.5626 162.3862 296.0447 141.7507 296.5269 123.7208 297.0090 107.5461 297.4911 92.96634 297.9732 80.03467 298.4553 69.41143 298.9374 61.20335 299.4196 54.46440 299.9017 48.53523 300.3838 43.41241 300.8659 39.15688 301.3480 35.86820 301.8301 33.46201 302.3123 31.96620 302.7944 31.35298 303.2765 31.19145 303.7586 31.15131 304.2407 31.30798 304.7228 31.81453 305.2050 32.80629 305.6871 34.07662 306.1692 35.41026 306.6513 36.82840 307.1334 38.32664 307.6155 39.57988 308.0977 41.00854 308.5798 43.17703 309.0619 46.51553 309.5440 50.30157 310.0261 53.89151 310.5082 57.41830 310.9904 61.28085 311.4725 65.38258 311.9546 70.12778 312.4367 75.81433 312.9188 82.36279 313.4009 90.13892 313.8831 99.43369 314.3652 110.0062 314.8473 121.5330 315.3294 133.6180 315.8115 146.9975 316.2936 162.6330 316.7758 180.9523 317.2579 199.0200 317.7400 216.6206 318.2221 233.0439 318.7042 247.7656 319.1863 263.1078 319.6685 274.5339 320.1506 280.5459 320.6327 281.0576 321.1148 276.0329 321.5969 263.6631 322.0790 246.6750 322.5612 227.0651 323.0433 201.2765 323.5254 177.2187 324.0075 157.1497 324.4896 140.6130 324.9717 124.6999 325.4539 108.1115 325.9360 92.36510 326.4181 78.47769 326.9002 66.89392 327.3823 56.54698 327.8644 47.42248 328.3466 39.49599 328.8287 32.70208 329.3108 27.24030 329.7929 22.69148 330.2750 19.09180 330.7571 16.86636 331.2393 14.49449 331.7214 11.52337 332.2035 8.564598 332.6856 6.677597 333.1677 6.457054 333.6498 6.421738 334.1320 6.145973 334.6141 5.559654 335.0962 5.330055 335.5783 5.638565 336.0604 6.115761 336.5425 6.289635 337.0247 5.819572 337.5068 5.928673 337.9889 6.962151 338.4710 8.821602 338.9531 10.66085 339.4352 12.42534 339.9174 14.35418 340.3995 16.74403 340.8816 19.74920 341.3637 22.27486 341.8458 24.08777 342.3279 25.46805 342.8101 27.16319 343.2922 29.14418 343.7743 31.47479 344.2564 34.24922 344.7385 37.47099 345.2206 40.72602 345.7028 44.04265 346.1849 47.36848 346.6670 50.43156 347.1491 53.28203 347.6312 56.68498 348.1133 61.15025 348.5955 66.45863 349.0776 71.84542 349.5597 77.32356 350.0418 83.26754 350.5239 89.92238 351.0060 97.34319 351.4882 105.4672 351.9703 114.5153 352.4524 124.0675 352.9345 133.3427 353.4166 142.3743 353.8987 151.4979 354.3809 161.1060 354.8630 170.8742 355.3451 180.2593 355.8272 189.5289 356.3093 197.5966 356.7914 203.9314 357.2736 208.3859 357.7557 210.3715 358.2378 209.4030 358.7199 205.9297 359.2020 199.9864 359.6841 191.3470 360.1663 181.6217 360.6484 171.6832 361.1305 161.2303 361.6126 149.8412 362.0947 135.9485 362.5768 122.3248 363.0590 109.8732 363.5411 98.64718 364.0232 88.87988 364.5053 81.41634 364.9874 75.02769 365.4695 68.75864 365.9517 61.79343 366.4338 55.61562 366.9159 50.58116 367.3980 46.55132 367.8801 42.95696 368.3622 39.83200 368.8444 37.08273 369.3265 34.70331 369.8086 32.90339 370.2907 31.07400 370.7728 29.04503 371.2549 27.03935 371.7371 25.47316 372.2192 24.86723 372.7013 24.02566 373.1834 22.52861 373.6655 20.25488 374.1476 18.25610 374.6298 16.62657 375.1119 15.23982 375.5940 14.00695 376.0761 12.99306 376.5582 11.88976 377.0403 10.57127 377.5225 9.130424 378.0046 7.899223 378.4867 6.896317 378.9688 6.176842 379.4509 5.953568 379.9330 6.244530 380.4152 6.050339 380.8973 5.172142 381.3794 4.032982 381.8615 3.394058 382.3436 3.236153 382.8257 3.126564 383.3079 2.781349 383.7900 2.318954 384.2721 2.224327 384.7542 2.533150 385.2363 2.820229 385.7184 2.538628 386.2006 1.890869 386.6827 1.410721 387.1648 1.241699 387.6469 1.349075 388.1290 1.792747 388.6111 2.524902 389.0933 3.274048 389.5754 3.949463 390.0575 4.514244 390.5396 4.986382 391.0217 5.453178 391.5038 5.581017 391.9860 4.902481 392.4681 3.744781 392.9502 2.691383 393.4323 1.929207 393.9144 1.403534 394.3965 1.235146 394.8787 1.450638 395.3608 1.403610 395.8429 0.5540540 396.3250 0.5172500 396.8071 1.294083 397.2892 1.538406 397.7714 1.614433 398.2535 1.479546 398.7356 1.196548 399.2177 1.065689 399.6998 1.346619 400.1819 1.595551 400.6641 1.620041 401.1462 1.372681 401.6283 0.9390030 402.1104 0.3873980 402.5925 0.4054870 403.0746 1.677849 403.5568 3.818848 404.0389 5.634590 404.5210 6.735512 405.0031 7.120171 405.4852 7.783470 405.9673 8.864792 406.4495 9.945778 406.9316 10.64744 407.4137 10.90144 407.8958 11.30596 408.3779 11.82509 408.8600 12.54063 409.3422 13.79578 409.8243 15.64398 410.3064 17.25679 410.7885 17.94923 411.2706 17.96527 411.7527 18.38619 412.2349 19.25256 412.7170 20.54007 413.1991 22.33281 413.6812 24.54636 414.1633 26.87043 414.6454 29.43550 415.1276 31.86127 415.6097 33.52594 416.0918 34.48889 416.5739 35.29671 417.0560 36.59669 417.5381 37.83133 418.0203 38.34663 418.5024 37.95586 418.9845 36.98684 419.4666 35.67975 419.9487 33.93718 420.4308 31.60931 420.9130 27.84396 421.3951 24.12849 421.8772 21.21933 422.3593 19.27245 422.8414 17.35834 423.3235 15.14730 423.8057 12.93102 424.2878 10.96828 424.7699 9.245293 425.2520 7.834137 425.7341 6.873398 426.2162 6.273170 426.6984 5.675056 427.1805 5.201515 427.6626 4.595665 428.1447 3.702209 428.6268 2.386505 429.1089 1.290070 429.5911 0.4019780 430.0732 0.2698290 430.5553 0.6913300 431.0374 0.7958220 431.5195 0.9268950 432.0016 1.205406 432.4838 1.560791 432.9659 1.690964 433.4480 1.584236 433.9301 1.316078 434.4122 0.9388120 434.8943 0.4364550 435.3765 0.3204570 435.8586 1.373260 436.3407 2.545212 436.8228 3.649933 437.3049 4.683525 437.7870 5.624664 438.2692 6.458466 438.7513 7.162178 439.2334 7.647964 439.7155 7.948067 440.1976 8.364304 440.6797 9.142578 441.1619 10.10613 441.6440 11.05764 442.1261 11.90587 442.6082 12.87683 443.0903 14.11700 443.5724 15.57368 444.0546 17.13348 444.5367 19.14728 445.0188 20.91857 445.5009 21.85058 445.9830 21.69657 446.4651 22.34365 446.9473 24.51090 447.4294 27.43684 447.9115 30.45627 448.3936 33.95416 448.8757 37.02671 449.3578 39.32014 449.8400 41.10651 450.3221 43.64925 450.8042 48.13164 451.2863 51.50279 451.7684 52.71506 452.2505 51.78519 452.7327 48.26376 453.2148 41.42345 453.6969 33.35030 454.1790 26.53252 454.6611 20.91400 455.1432 16.06374 455.6254 11.90435 456.1075 8.483337 456.5896 6.258125 457.0717 5.183571 457.5538 4.366493 458.0359 3.243042 458.5181 1.949165 459.0002 0.6888580 459.4823 0.5464320 459.9644 1.465599 460.4465 1.597458 460.9286 1.223633 461.4108 0.8653180 461.8929 0.8178250 462.3750 0.7786410 462.8571 0.3664470 463.3392 0.3005750 463.8214 0.6469730 464.3035 0.1834950 464.7856 1.026939 465.2677 0.9979100 465.7498 0.4088210 466.2319 1.635963 466.7141 2.105614 467.1962 2.247955 467.6783 2.620743 468.1604 3.682549 468.6425 4.535103 469.1246 4.936447 469.6068 4.931618 470.0889 5.044289 470.5710 5.175789 471.0531 5.556999 471.5352 6.413818 472.0173 8.013359 472.4995 9.121613 472.9816 9.624092 473.4637 9.769188 473.9458 9.859894 474.4279 9.884735 474.9100 10.04372 475.3922 10.37199 475.8743 10.89337 476.3564 11.76350 476.8385 12.97945 477.3206 14.22182 477.8027 15.49024 478.2849 16.56709 478.7670 16.77789 479.2491 15.82703 479.7312 14.92061 480.2133 15.64793 480.6954 17.19934 481.1776 18.06909 481.6597 17.11499 482.1418 15.68385 482.6239 14.47096 483.1060 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