#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:46 +0300 (Thu, 24 May 2018) $ #$Revision: 894 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000372.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_1000372 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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 1000372 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 118.7225 0.0000000E+00 119.2046 0.4022750 119.6867 2.2629000E-02 120.1688 0.4372630 120.6509 1.178932 121.1330 2.280235 121.6152 3.551018 122.0973 4.435074 122.5794 4.449188 123.0615 3.525307 123.5436 2.780548 124.0257 2.249428 124.5079 1.871368 124.9900 1.608818 125.4721 1.552238 125.9542 1.786812 126.4363 1.999313 126.9184 2.231873 127.4006 2.435165 127.8827 2.535324 128.3648 2.554504 128.8469 2.648376 129.3290 2.905449 129.8111 3.163780 130.2932 3.508865 130.7754 3.812607 131.2575 3.792229 131.7396 3.075500 132.2217 1.753769 132.7038 0.9489750 133.1859 1.505241 133.6681 2.434341 134.1502 3.247986 134.6323 3.859581 135.1144 4.262512 135.5965 4.357529 136.0786 3.832130 136.5608 3.593498 137.0429 3.924873 137.5250 4.331131 138.0071 4.465935 138.4892 4.224159 138.9713 3.759071 139.4535 3.414879 139.9356 3.288200 140.4177 3.114075 140.8998 2.804680 141.3819 2.469826 141.8640 2.316231 142.3462 2.482002 142.8283 2.761238 143.3104 2.541473 143.7925 1.630188 144.2746 0.7008970 144.7567 9.2278004E-02 145.2388 0.7136760 145.7210 0.9753650 146.2031 0.6136780 146.6852 6.7451000E-02 147.1673 0.4520650 147.6494 0.4077840 148.1315 0.2390750 148.6137 0.2355500 149.0958 0.4231260 149.5779 0.6128920 150.0600 0.6942290 150.5421 0.7437210 151.0242 0.8123930 151.5064 0.8811190 151.9885 1.026268 152.4706 1.479721 152.9527 2.544434 153.4348 3.348129 153.9169 3.527908 154.3991 3.369553 154.8812 3.234840 155.3633 3.351151 155.8454 3.642754 156.3275 3.639503 156.8096 2.964104 157.2918 2.364632 157.7739 1.964012 158.2560 1.747704 158.7381 1.659950 159.2202 1.651108 159.7023 1.719505 160.1845 2.078285 160.6666 3.035873 161.1487 3.872520 161.6308 4.293472 162.1129 4.362747 162.5950 4.343529 163.0772 4.493385 163.5593 4.887802 164.0414 5.049812 164.5235 4.712135 165.0056 4.236664 165.4877 3.824753 165.9698 3.518227 166.4520 3.452744 166.9341 3.888504 167.4162 4.861069 167.8983 5.554108 168.3804 5.940605 168.8625 6.172729 169.3447 5.973816 169.8268 5.431480 170.3089 5.154274 170.7910 5.509972 171.2731 6.153587 171.7552 7.034409 172.2374 7.425896 172.7195 7.447693 173.2016 7.759949 173.6837 8.511963 174.1658 8.873573 174.6479 8.276154 175.1301 6.992447 175.6122 5.562027 176.0943 4.657204 176.5764 4.386063 177.0585 4.298248 177.5406 4.528862 178.0228 4.830688 178.5049 5.085762 178.9870 5.293823 179.4691 5.497658 179.9512 5.791023 180.4333 6.248215 180.9155 6.442543 181.3976 6.124214 181.8797 5.751572 182.3618 5.522568 182.8439 5.456497 183.3260 5.456650 183.8082 5.362953 184.2903 4.971008 184.7724 5.069817 185.2545 6.017540 185.7366 7.087563 186.2187 7.885590 186.7009 8.309921 187.1830 8.423264 187.6651 8.279671 188.1472 7.584343 188.6293 7.276222 189.1114 7.808205 189.5936 8.462440 190.0757 8.393410 190.5578 7.401306 191.0399 6.320625 191.5220 6.577049 192.0041 8.846779 192.4863 10.56464 192.9684 11.19604 193.4505 11.21090 193.9326 11.22026 194.4147 11.41982 194.8968 11.57089 195.3790 11.15944 195.8611 10.14726 196.3432 9.207245 196.8253 8.623627 197.3074 8.250343 197.7895 7.754639 198.2717 7.007050 198.7538 6.180725 199.2359 5.524902 199.7180 5.041420 200.2001 4.515221 200.6822 3.636887 201.1644 2.540718 201.6465 1.915337 202.1286 2.063797 202.6107 2.585030 203.0928 3.229912 203.5749 4.004181 204.0571 4.513306 204.5392 4.236969 205.0213 3.160912 205.5034 2.429054 205.9855 2.623390 206.4676 2.902573 206.9497 2.717926 207.4319 2.059952 207.9140 1.308571 208.3961 0.8145290 208.8782 0.5927200 209.3603 0.5395810 209.8424 0.6727370 210.3246 0.9683610 210.8067 1.534409 211.2888 2.324097 211.7709 3.091888 212.2530 3.494186 212.7351 3.346367 213.2173 3.411385 213.6994 4.317528 214.1815 4.958031 214.6636 4.365761 215.1457 2.606842 215.6278 0.7651820 216.1100 0.4100880 216.5921 2.673019 217.0742 3.578583 217.5563 2.218643 218.0384 0.4787290 218.5205 0.4498980 219.0027 0.3851320 219.4848 6.0722001E-02 219.9669 8.5808001E-02 220.4490 0.4839710 220.9311 1.098259 221.4132 2.105675 221.8954 2.929291 222.3775 2.913826 222.8596 2.032089 223.3417 1.079117 223.8238 1.147476 224.3059 2.921371 224.7881 3.801025 225.2702 3.042236 225.7523 1.853455 226.2344 1.312347 226.7165 1.608772 227.1986 2.151108 227.6807 2.225830 228.1629 1.718590 228.6450 1.272110 229.1271 0.8133090 229.6092 0.4876480 230.0913 0.5994640 230.5734 1.220764 231.0556 1.785515 231.5377 1.562035 232.0198 0.5612110 232.5019 0.3562620 232.9840 1.143196 233.4661 1.739326 233.9483 1.965958 234.4304 1.743950 234.9125 1.516014 235.3946 1.779182 235.8767 2.429558 236.3588 3.083473 236.8410 3.701385 237.3231 4.247284 237.8052 4.590843 238.2873 4.632271 238.7694 4.799728 239.2515 5.705849 239.7337 7.025505 240.2158 8.029945 240.6979 8.260658 241.1800 8.069946 241.6621 8.184029 242.1442 8.797554 242.6264 9.198997 243.1085 8.760429 243.5906 7.838226 244.0727 6.961586 244.5548 6.194893 245.0369 5.674225 245.5191 5.785789 246.0012 6.783730 246.4833 7.820221 246.9654 8.589935 247.4475 9.123360 247.9296 9.402435 248.4117 9.320480 248.8939 9.077179 249.3760 9.119720 249.8581 9.499001 250.3402 10.08272 250.8223 10.95392 251.3044 11.92502 251.7866 12.73735 252.2687 13.22699 252.7508 13.63634 253.2329 14.64252 253.7150 16.79636 254.1971 18.38418 254.6793 18.52728 255.1614 18.20698 255.6435 18.31602 256.1256 19.20374 256.6077 20.71204 257.0898 22.60197 257.5720 25.17645 258.0541 27.52402 258.5362 29.24351 259.0183 30.84996 259.5004 32.91668 259.9825 35.62531 260.4647 38.50250 260.9468 40.76563 261.4289 42.79007 261.9110 43.27248 262.3931 41.63632 262.8752 39.05793 263.3574 36.03589 263.8395 32.84474 264.3216 30.08675 264.8037 28.78897 265.2858 29.76105 265.7679 30.65265 266.2501 30.81048 266.7322 31.30276 267.2143 33.06822 267.6964 36.16409 268.1785 39.76311 268.6606 42.67641 269.1428 44.22069 269.6249 46.88118 270.1070 51.50520 270.5891 56.35186 271.0712 60.32068 271.5533 63.34395 272.0355 66.09378 272.5176 69.37025 272.9997 73.44099 273.4818 76.73666 273.9639 78.88139 274.4460 80.76837 274.9282 82.85189 275.4103 85.10125 275.8924 87.14452 276.3745 88.58655 276.8566 89.41344 277.3387 90.41371 277.8208 91.28193 278.3029 92.48325 278.7851 94.08743 279.2672 96.16918 279.7493 99.01238 280.2314 102.9884 280.7135 108.0881 281.1956 112.5673 281.6778 115.7227 282.1599 118.9215 282.6420 122.9147 283.1241 127.5051 283.6062 131.9716 284.0883 135.7789 284.5705 139.0773 285.0526 142.8926 285.5347 148.0142 286.0168 152.7736 286.4989 157.0926 286.9810 160.7342 287.4632 163.2813 287.9453 164.4945 288.4274 164.5247 288.9095 163.8557 289.3916 163.4254 289.8737 161.2029 290.3559 156.4367 290.8380 149.7333 291.3201 141.7732 291.8022 132.7551 292.2843 123.0048 292.7664 112.7952 293.2486 101.5043 293.7307 91.38928 294.2128 83.27470 294.6949 76.16577 295.1770 68.81572 295.6591 60.91080 296.1413 53.47237 296.6234 47.84416 297.1055 44.47456 297.5876 41.47773 298.0697 38.76125 298.5518 36.41496 299.0340 34.62614 299.5161 33.38972 299.9982 32.31478 300.4803 30.95245 300.9624 29.27089 301.4445 28.37613 301.9267 29.05746 302.4088 29.87189 302.8909 29.70411 303.3730 28.66384 303.8551 27.77886 304.3372 27.79888 304.8194 28.64320 305.3015 29.33315 305.7836 29.67220 306.2657 30.06986 306.7478 30.61883 307.2299 31.36700 307.7121 32.48909 308.1942 34.14540 308.6763 36.16441 309.1584 37.92715 309.6405 39.32197 310.1227 40.69122 310.6048 41.91273 311.0869 43.20480 311.5690 45.00032 312.0511 47.48019 312.5332 50.43391 313.0154 53.44904 313.4975 56.46401 313.9796 59.71613 314.4617 63.55074 314.9438 67.53441 315.4259 71.11657 315.9081 74.14629 316.3902 76.91756 316.8723 79.93378 317.3544 83.37235 317.8365 85.78250 318.3186 87.20560 318.8007 87.45499 319.2828 86.24733 319.7650 83.57347 320.2471 79.84660 320.7292 75.23758 321.2113 69.72894 321.6934 64.37821 322.1755 58.94860 322.6577 53.84601 323.1398 49.31731 323.6219 45.35016 324.1040 41.78915 324.5861 38.63795 325.0682 35.79802 325.5504 32.87711 326.0325 29.35024 326.5146 26.31229 326.9967 24.43173 327.4788 23.29974 327.9609 21.95432 328.4431 19.90030 328.9252 17.65653 329.4073 16.53892 329.8894 17.05071 330.3715 17.41629 330.8536 17.24376 331.3358 16.75146 331.8179 16.07884 332.3000 15.25277 332.7821 14.66448 333.2642 14.92205 333.7463 16.36868 334.2285 17.44257 334.7106 17.78049 335.1927 17.97948 335.6748 18.46011 336.1569 19.20620 336.6390 20.03648 337.1212 20.85303 337.6033 21.71812 338.0854 22.74207 338.5675 24.09070 339.0496 25.32140 339.5317 26.13167 340.0139 26.64394 340.4960 27.21812 340.9781 28.08303 341.4602 29.16846 341.9423 30.10123 342.4244 30.59145 342.9066 31.33997 343.3887 32.86684 343.8708 34.56393 344.3529 35.41198 344.8350 35.01017 345.3171 34.15202 345.7993 34.25397 346.2814 35.70106 346.7635 37.74512 347.2456 41.07062 347.7277 44.41879 348.2098 46.54201 348.6920 47.32803 349.1741 47.89220 349.6562 49.50185 350.1383 52.46223 350.6204 54.99966 351.1025 56.73695 351.5847 58.47177 352.0668 60.66413 352.5489 63.19781 353.0310 65.69533 353.5131 67.89104 353.9952 69.78728 354.4774 71.43233 354.9595 73.06346 355.4416 74.16822 355.9237 74.73447 356.4058 74.68598 356.8879 73.85539 357.3701 72.16277 357.8522 69.83682 358.3343 67.40814 358.8164 65.29990 359.2985 62.35123 359.7806 58.02210 360.2627 53.26090 360.7448 48.68353 361.2270 44.44830 361.7091 40.56989 362.1912 37.07768 362.6733 34.06649 363.1554 31.02370 363.6375 27.66590 364.1197 24.55270 364.6018 22.02031 365.0839 19.92426 365.5660 17.94489 366.0481 15.84549 366.5302 13.65284 367.0124 11.56312 367.4945 9.198601 367.9766 7.558823 368.4587 7.241890 368.9408 7.476944 369.4229 7.388023 369.9051 6.629639 370.3872 5.570541 370.8693 4.892479 371.3514 4.768608 371.8335 4.559563 372.3156 4.135376 372.7978 3.671440 373.2799 3.248337 373.7620 2.877899 374.2441 2.529816 374.7262 2.236763 375.2083 2.019989 375.6905 1.549721 376.1726 0.3410260 376.6547 0.5525970 377.1368 0.4690930 377.6189 0.2418670 378.1010 0.8356780 378.5832 0.8650210 379.0653 0.5304790 379.5474 0.3752370 380.0295 0.4734800 380.5116 0.5557100 380.9937 0.4586720 381.4759 0.3256530 381.9580 0.2987290 382.4401 0.4187620 382.9222 0.6073680 383.4043 0.8203130 383.8864 1.056808 384.3686 1.196251 384.8507 1.224457 385.3328 1.119461 385.8149 0.8233720 386.2970 0.3629380 386.7791 5.4809999E-02 387.2613 0.4115980 387.7434 0.6300810 388.2255 0.4405670 388.7076 0.2963490 389.1897 1.024063 389.6718 1.353233 390.1540 1.388481 390.6361 1.307304 391.1182 1.194885 391.6003 0.9258800 392.0824 0.1836780 392.5645 0.9486390 393.0467 1.641174 393.5288 1.325478 394.0109 0.6048890 394.4930 0.6656800 394.9751 1.729736 395.4572 2.626526 395.9394 2.808357 396.4215 2.551720 396.9036 2.271149 397.3857 2.041382 397.8678 1.871559 398.3499 1.766739 398.8321 1.732254 399.3142 1.789551 399.7963 2.221245 400.2784 2.517914 400.7605 2.232063 401.2426 1.456566 401.7247 0.5836490 402.2068 0.2219920 402.6890 0.8805390 403.1711 0.9847030 403.6532 0.3309170 404.1353 1.037605 404.6174 0.3878780 405.0995 0.9082410 405.5817 2.069221 406.0638 2.844238 406.5459 3.295639 407.0280 3.483902 407.5101 3.314995 407.9922 3.161499 408.4744 3.023926 408.9565 2.900681 409.4386 2.681633 409.9207 2.460602 410.4028 2.527588 410.8849 3.144173 411.3671 4.191887 411.8492 4.758606 412.3313 4.104172 412.8134 3.886124 413.2955 4.724167 413.7776 5.913864 414.2598 6.714363 414.7419 6.882027 415.2240 6.679855 415.7061 6.446037 416.1882 6.113403 416.6703 5.981865 417.1525 6.273262 417.6346 6.592365 418.1167 6.924297 418.5988 7.153713 419.0809 6.987637 419.5630 6.066074 420.0452 4.619556 420.5273 3.598331 421.0094 3.058235 421.4915 2.857944 421.9736 3.335896 422.4557 3.933357 422.9379 4.005173 423.4200 3.342583 423.9021 2.356144 424.3842 1.287060 424.8663 0.1593780 425.3484 0.4262080 425.8306 3.5682999E-02 426.3127 0.5491100 426.7948 0.5327070 427.2769 1.5957000E-02 427.7590 0.3374020 428.2411 8.9611001E-02 428.7233 0.4223480 429.2054 0.6521420 429.6875 0.5598490 430.1696 0.4738040 430.6517 0.5517430 431.1339 0.8056180 431.6160 1.212917 432.0981 1.878685 432.5802 2.532745 433.0623 3.141979 433.5444 3.630722 434.0266 3.763935 434.5087 3.424397 434.9908 2.972576 435.4729 2.907349 435.9550 3.339142 436.4371 3.650352 436.9193 3.683750 437.4014 3.701706 437.8835 3.838394 438.3656 4.117455 438.8477 4.597519 439.3298 5.359695 439.8120 6.301773 440.2941 6.852596 440.7762 6.637783 441.2583 6.489925 441.7404 6.383427 442.2225 6.437920 442.7046 6.820717 443.1867 7.549637 443.6689 8.452274 444.1510 9.348499 444.6331 10.29793 445.1152 10.93327 445.5973 10.86454 446.0794 10.87910 446.5616 11.17697 447.0437 11.75749 447.5258 12.66025 448.0079 13.96442 448.4900 15.43799 448.9721 16.53670 449.4543 17.26089 449.9364 17.60126 450.4185 17.41159 450.9006 16.85979 451.3827 16.05724 451.8648 15.04496 452.3470 13.86189 452.8291 12.32255 453.3112 10.56846 453.7933 9.342804 454.2754 8.880112 454.7575 8.577576 455.2397 7.951698 455.7218 7.217388 456.2039 6.803593 456.6860 7.110138 457.1681 7.309734 457.6502 6.308472 458.1324 4.463978 458.6145 3.487625 459.0966 4.145077 459.5787 5.553638 460.0608 6.401253 460.5429 6.614063 461.0251 6.923260 461.5072 7.218292 461.9893 7.664520 462.4714 8.739716 462.9535 10.30722 463.4356 11.46029 463.9178 11.55441 464.3999 10.80044 464.8820 10.34145 465.3641 10.31801 465.8462 10.38538 466.3283 10.47533 466.8105 10.64345 467.2926 11.02925 467.7747 11.65876 468.2568 12.26329 468.7389 12.41802 469.2210 11.92923 469.7032 12.13728 470.1853 14.17262 470.6674 15.75418 471.1495 15.87807 471.6316 15.16267 472.1137 14.67285 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0.8793830 499.5944 1.232651 500.0765 1.561428 500.5586 1.444714 501.0407 1.105534 501.5228 1.047989 502.0049 1.501095 502.4871 1.789585 502.9692 1.356575 503.4513 0.5869870 503.9334 0.1591110 504.4155 0.2215270 504.8976 0.5856130 505.3798 1.137096 505.8619 1.901028 506.3440 2.339394 506.8261 2.233315 507.3082 2.085037 507.7903 2.031982 508.2725 2.070179 508.7546 2.168049 509.2367 2.315273 509.7188 2.553028 510.2009 3.045372 510.6830 4.104946 511.1652 4.360504 511.6473 2.786549 512.1294 1.422626 512.6115 1.325993 513.0936 2.004929 513.5757 2.357136 514.0579 1.748611 514.5400 0.7546690 515.0221 0.4804880 515.5042 1.026489 515.9863 1.546158 516.4684 2.066364 516.9506 2.258400 517.4327 1.580620 517.9148 0.1985320 518.3969 0.6789930 518.8790 2.9518001E-02 519.3611 1.105492 519.8433 1.245186 520.3254 0.4454920 520.8075 0.1317020 521.2896 0.1480140 521.7717 0.8953900 522.2538 1.196411 522.7360 0.9405330 523.2181 0.6665690 523.7002 0.5241320 524.1823 0.3540800 524.6644 6.6836998E-02 525.1465 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