#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:34:57 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1164 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000583.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_1000583 loop_ _publ_author_name 'Ferro, O.' 'Quartieri, S.' 'Vezzalini, G.' 'Ceriani, C.' 'Fois, E.' 'Gamba, A.' 'Cruciani, G.' _publ_section_title ; Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 30 C ; _journal_name_full 'American Mineralogist' _journal_page_first 94 _journal_page_last 101 _journal_volume 89 _journal_year 2004 _chemical_compound_source R060032 _chemical_formula_sum 'Al H2 Li O7 Si2' _chemical_name_mineral Bikitaite _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 89.892 _cell_angle_beta 114.423 _cell_angle_gamma 89.955 _cell_length_a 8.6121 _cell_length_b 4.9579 _cell_length_c 7.6040 _cell_volume 295.621 _diffrn_ambient_temperature 303.15 _exptl_crystal_density_diffrn 2.293 _cod_original_formula_sum 'Li Al Si2 O7 H2' _cod_database_code 9003099 _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 R060032.rod _rod_data_source.block 3500000 _rod_database.code 1000583 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 9003099 COD http://www.crystallography.net/cod/9003099.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 176.8941 0.0000000E+00 177.3762 0.3290410 177.8583 0.3566590 178.3404 0.1062470 178.8225 1.4340000E-03 179.3047 0.7384490 179.7868 1.150314 180.2689 1.213211 180.7510 0.6430660 181.2331 0.3100740 181.7152 0.4802090 182.1974 0.7577670 182.6795 2.051971 183.1616 3.207916 183.6437 4.269989 184.1258 5.368866 184.6079 6.595062 185.0900 7.897217 185.5722 8.910233 186.0543 9.556900 186.5364 10.07373 187.0185 10.44391 187.5006 10.72552 187.9827 11.11575 188.4649 11.76553 188.9470 12.61195 189.4291 13.32642 189.9112 13.64915 190.3933 14.07253 190.8754 15.01048 191.3576 16.42810 191.8397 17.79095 192.3218 18.65863 192.8039 19.28671 193.2860 20.27328 193.7681 21.88844 194.2503 23.70432 194.7324 25.21910 195.2145 26.37625 195.6966 27.65291 196.1787 29.36333 196.6608 31.35883 197.1430 33.54504 197.6251 36.01430 198.1072 38.54211 198.5893 40.68871 199.0714 42.28035 199.5535 43.96637 200.0357 46.26762 200.5178 48.74942 200.9999 50.95230 201.4820 52.74792 201.9641 54.06506 202.4462 54.70389 202.9284 54.55984 203.4105 53.80392 203.8926 52.50830 204.3747 50.75095 204.8568 48.59352 205.3389 46.05652 205.8211 43.17892 206.3032 40.15849 206.7853 36.46381 207.2674 33.30609 207.7495 30.93407 208.2316 29.20311 208.7138 27.93628 209.1959 27.05490 209.6780 26.50932 210.1601 25.96887 210.6422 25.21007 211.1243 24.70290 211.6065 24.62466 212.0886 24.84573 212.5707 25.14043 213.0528 25.35475 213.5349 25.52194 214.0170 25.98541 214.4992 27.02994 214.9813 28.02884 215.4634 28.81975 215.9455 29.43776 216.4276 30.00175 216.9097 30.59694 217.3919 31.19643 217.8740 31.52568 218.3561 31.65002 218.8382 31.51463 219.3203 31.08971 219.8024 30.38622 220.2845 29.44057 220.7667 28.27544 221.2488 26.85872 221.7309 25.14500 222.2130 22.92406 222.6951 20.91478 223.1772 19.36305 223.6594 18.06804 224.1415 16.75316 224.6236 15.35880 225.1057 13.98726 225.5878 12.87494 226.0699 12.22261 226.5521 11.71181 227.0342 11.09535 227.5163 10.39301 227.9984 9.830994 228.4805 9.534454 228.9626 9.461945 229.4448 9.496170 229.9269 9.673706 230.4090 9.892853 230.8911 10.02972 231.3732 10.08296 231.8553 10.25455 232.3375 10.64841 232.8196 11.21629 233.3017 11.90419 233.7838 12.72528 234.2659 13.61595 234.7480 14.53023 235.2302 15.51901 235.7123 16.35771 236.1944 16.73686 236.6765 17.05615 237.1586 17.67168 237.6407 18.67752 238.1229 19.83875 238.6050 20.83640 239.0871 21.59161 239.5692 22.54100 240.0513 24.10809 240.5334 25.75282 241.0156 27.13713 241.4977 28.17667 241.9798 29.01448 242.4619 29.75085 242.9440 30.29495 243.4261 31.09592 243.9083 32.45836 244.3904 33.93944 244.8725 35.27014 245.3546 36.39922 245.8367 37.44559 246.3188 38.58217 246.8010 39.87619 247.2831 41.04399 247.7652 42.17435 248.2473 43.11041 248.7294 43.61157 249.2115 43.70468 249.6937 43.74200 250.1758 44.26393 250.6579 45.63823 251.1400 46.49199 251.6221 46.85588 252.1042 46.75439 252.5864 45.89461 253.0685 44.40681 253.5506 42.96591 254.0327 42.50893 254.5148 43.68102 254.9969 43.73816 255.4790 42.25209 255.9612 40.22586 256.4433 38.01973 256.9254 35.76117 257.4075 33.52159 257.8896 31.41644 258.3718 29.53871 258.8539 27.38190 259.3360 24.76608 259.8181 22.09776 260.3002 19.51605 260.7823 17.06082 261.2645 14.74112 261.7466 12.54849 262.2287 10.45627 262.7108 8.750519 263.1929 7.678665 263.6750 6.675186 264.1572 5.416931 264.6393 3.960663 265.1214 2.581589 265.6035 1.489227 266.0856 0.6942600 266.5677 1.3107000E-02 267.0499 0.4956670 267.5320 0.9828340 268.0141 1.603394 268.4962 2.275223 268.9783 2.769760 269.4604 2.928360 269.9426 2.765305 270.4247 2.458389 270.9068 1.834396 271.3889 1.279495 271.8710 1.014801 272.3531 0.8946530 272.8352 0.6213070 273.3174 9.6589997E-03 273.7995 0.8263700 274.2816 1.333405 274.7637 1.177597 275.2458 1.125183 275.7279 1.346344 276.2101 1.817795 276.6922 2.568481 277.1743 3.680603 277.6564 4.954102 278.1385 5.804321 278.6206 6.000595 279.1028 6.270447 279.5849 6.963623 280.0670 7.875015 280.5491 8.576660 281.0312 8.867996 281.5133 9.024323 281.9955 9.617767 282.4776 10.72020 282.9597 11.85214 283.4418 12.98328 283.9239 14.06023 284.4060 14.96913 284.8882 15.66313 285.3703 16.28238 285.8524 17.01027 286.3345 17.84541 286.8166 18.74580 287.2987 19.87854 287.7809 21.00044 288.2630 21.76389 288.7451 22.08838 289.2272 22.23241 289.7093 22.54218 290.1914 22.99252 290.6736 22.98930 291.1557 22.27890 291.6378 21.16280 292.1199 19.84621 292.6020 18.34227 293.0841 16.92270 293.5663 15.81789 294.0484 14.99966 294.5305 14.28038 295.0126 13.70288 295.4947 13.17924 295.9768 12.70360 296.4590 12.26701 296.9411 11.64647 297.4232 10.60194 297.9053 9.283035 298.3874 8.154236 298.8695 7.138580 299.3517 6.413803 299.8338 6.295670 300.3159 6.689774 300.7980 6.958206 301.2801 6.799713 301.7622 6.332977 302.2444 5.843353 302.7265 5.314774 303.2086 4.801895 303.6907 4.248154 304.1728 3.713867 304.6549 3.452148 305.1371 3.612381 305.6192 3.990173 306.1013 4.280609 306.5834 4.474701 307.0655 4.682526 307.5476 4.954987 308.0298 5.275894 308.5119 5.596237 308.9940 5.887421 309.4761 6.222748 309.9582 6.779495 310.4403 7.519775 310.9225 8.066788 311.4046 8.295929 311.8867 8.262497 312.3688 7.964890 312.8509 7.346329 313.3330 6.770462 313.8152 6.661530 314.2973 6.872314 314.7794 6.931015 315.2615 6.701263 315.7436 6.301819 316.2257 5.763565 316.7079 5.075195 317.1900 4.584595 317.6721 4.656631 318.1542 5.047958 318.6363 5.141602 319.1184 4.710159 319.6006 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9.199677 346.5991 9.834915 347.0812 10.39154 347.5633 10.70030 348.0454 10.48003 348.5275 10.24709 349.0096 10.41292 349.4918 10.90891 349.9739 11.34746 350.4560 11.48216 350.9381 11.37634 351.4202 11.35660 351.9023 11.66461 352.3845 11.76978 352.8666 11.40942 353.3487 10.74873 353.8308 10.04691 354.3129 9.389557 354.7950 8.821777 355.2772 8.434265 355.7593 8.240250 356.2414 8.204681 356.7235 8.479004 357.2056 8.830902 357.6877 8.966995 358.1699 8.857147 358.6520 8.778198 359.1341 9.025223 359.6162 9.645554 360.0983 10.45076 360.5804 11.49927 361.0626 12.65776 361.5447 13.93214 362.0268 15.27441 362.5089 16.56129 362.9910 17.70087 363.4731 18.71455 363.9553 19.75574 364.4374 20.70581 364.9195 21.83012 365.4016 23.24532 365.8837 24.85045 366.3658 26.45726 366.8480 27.99231 367.3301 29.61607 367.8122 31.69223 368.2943 34.81114 368.7764 37.46185 369.2585 39.22650 369.7407 40.84587 370.2228 42.86028 370.7049 45.35051 371.1870 48.08246 371.6691 50.82245 372.1512 53.55992 372.6334 56.28207 373.1155 58.85687 373.5976 61.52655 374.0797 64.49641 374.5618 67.65054 375.0439 70.67583 375.5261 73.32039 376.0082 75.71475 376.4903 78.58656 376.9724 82.52971 377.4545 86.11859 377.9366 88.84789 378.4188 91.25334 378.9009 94.02710 379.3830 97.38817 379.8651 100.7888 380.3472 103.2821 380.8293 104.7351 381.3115 105.8867 381.7936 106.7051 382.2757 107.3176 382.7578 107.6840 383.2399 107.8613 383.7220 108.0463 384.2042 108.5635 384.6863 109.3544 385.1684 109.4251 385.6505 108.0778 386.1326 106.9752 386.6147 107.0377 387.0969 107.7112 387.5790 108.0668 388.0611 107.6788 388.5432 106.8841 389.0253 106.1990 389.5074 105.5954 389.9896 105.1608 390.4717 105.2493 390.9538 105.3903 391.4359 105.1492 391.9180 104.4389 392.4001 103.5446 392.8823 102.8496 393.3644 102.2710 393.8465 101.1724 394.3286 99.42685 394.8107 97.17001 395.2928 94.36288 395.7750 91.13258 396.2571 87.92688 396.7392 85.18039 397.2213 82.43941 397.7034 78.97408 398.1855 74.75345 398.6677 70.23715 399.1498 65.47229 399.6319 60.65884 400.1140 56.27042 400.5961 52.47862 401.0782 48.86377 401.5604 45.07106 402.0425 41.23317 402.5246 37.70030 403.0067 34.59538 403.4888 31.79512 403.9709 29.12329 404.4531 26.52390 404.9352 24.25494 405.4173 22.47495 405.8994 20.97429 406.3815 19.57939 406.8636 18.26732 407.3458 17.04962 407.8279 15.93617 408.3100 14.93648 408.7921 14.14951 409.2742 13.90411 409.7563 13.48660 410.2385 12.40570 410.7206 11.01300 411.2027 10.01733 411.6848 9.732040 412.1669 9.771423 412.6490 9.331055 413.1311 7.914459 413.6133 6.863235 414.0954 6.215790 414.5775 5.887894 415.0596 5.968887 415.5417 6.370728 416.0238 6.767868 416.5060 6.859680 416.9881 6.641357 417.4702 6.331818 417.9523 5.791855 418.4344 5.306061 418.9165 4.950439 419.3987 4.688202 419.8808 4.475449 420.3629 4.297058 420.8450 4.112869 421.3271 3.799057 421.8092 3.199249 422.2914 2.878204 422.7735 3.210846 423.2556 3.582077 423.7377 3.627380 424.2198 3.321808 424.7019 2.847885 425.1841 2.251953 425.6662 1.569122 426.1483 1.232864 426.6304 1.455307 427.1125 1.689835 427.5946 1.738647 428.0768 1.627731 428.5589 1.358337 429.0410 0.8641360 429.5231 0.3588100 430.0052 0.2017820 430.4873 0.4055330 430.9695 0.3928990 431.4516 0.1785580 431.9337 0.8710020 432.4158 1.162354 432.8979 1.048920 433.3800 0.9608610 433.8622 1.234375 434.3443 1.629242 434.8264 1.642212 435.3085 1.178986 435.7906 0.7506870 436.2727 0.8556370 436.7549 1.326004 437.2370 1.360443 437.7191 0.4244690 438.2012 0.4320370 438.6833 0.5233310 439.1654 0.1048890 439.6476 0.1655270 440.1297 1.9592000E-02 440.6118 0.2680210 441.0939 0.1959840 441.5760 0.4700320 442.0581 0.8399050 442.5403 0.7518460 443.0224 0.4416050 443.5045 2.0569000E-02 443.9866 0.4656370 444.4687 0.9503170 444.9508 1.393845 445.4330 1.787933 445.9151 2.044662 446.3972 2.012039 446.8793 2.021057 447.3614 2.049469 447.8435 2.177170 448.3257 2.550674 448.8078 3.194138 449.2899 3.902695 449.7720 4.349915 450.2541 4.424393 450.7362 4.623428 451.2184 5.016296 451.7005 5.472885 452.1826 5.971268 452.6647 6.493317 453.1468 7.003647 453.6289 7.452133 454.1111 7.908951 454.5932 8.617340 455.0753 9.723618 455.5574 10.65178 456.0395 10.93410 456.5216 11.11555 457.0038 11.60649 457.4859 12.46875 457.9680 13.56088 458.4501 14.82550 458.9322 16.24113 459.4143 17.75525 459.8965 19.42708 460.3786 21.00830 460.8607 22.30867 461.3428 23.36394 461.8249 24.22302 462.3070 24.77628 462.7892 25.25267 463.2713 25.77670 463.7534 26.35977 464.2355 27.08369 464.7176 28.03647 465.1997 29.00281 465.6819 29.54587 466.1640 29.49023 466.6461 29.70692 467.1282 30.46564 467.6103 31.40854 468.0924 32.26634 468.5746 33.01926 469.0567 33.73807 469.5388 34.44142 470.0209 35.16856 470.5030 36.22862 470.9851 37.81059 471.4673 39.50246 471.9494 41.33263 472.4315 43.21161 472.9136 45.02878 473.3957 46.76532 473.8778 48.53038 474.3600 50.46402 474.8421 52.58647 475.3242 54.72548 475.8063 56.95053 476.2884 59.12717 476.7705 61.16618 477.2527 63.14226 477.7348 65.17842 478.2169 67.33150 478.6990 69.56451 479.1811 71.84308 479.6632 74.19536 480.1454 76.39854 480.6275 78.23122 481.1096 80.07314 481.5917 82.29189 482.0738 84.84715 482.5559 87.35374 483.0380 89.60126 483.5201 91.71149 484.0023 93.82013 484.4844 95.92920 484.9665 98.18637 485.4486 100.7318 485.9307 103.4516 486.4128 106.0748 486.8950 108.6508 487.3771 111.0264 487.8592 112.9213 488.3413 114.6760 488.8234 116.8491 489.3055 119.5255 489.7877 122.1864 490.2698 124.3064 490.7519 125.8680 491.2340 127.7671 491.7161 130.5884 492.1982 133.0033 492.6804 134.7178 493.1625 135.7900 493.6446 136.1779 494.1267 135.8748 494.6088 135.2403 495.0909 135.0266 495.5731 135.7250 496.0552 135.3879 496.5373 133.2711 497.0194 130.7191 497.5015 128.3197 497.9836 125.9261 498.4658 123.0597 498.9479 119.4934 499.4300 115.3267 499.9121 110.6446 500.3942 105.4322 500.8763 100.1864 501.3585 95.02138 501.8406 89.88312 502.3227 84.58057 502.8048 79.12746 503.2869 73.94931 503.7690 69.42828 504.2512 65.22160 504.7333 60.67560 505.2154 55.72986 505.6975 51.39070 506.1796 48.43538 506.6617 46.44896 507.1439 44.07585 507.6260 41.09868 508.1081 38.12794 508.5902 35.16045 509.0723 32.37804 509.5544 30.03534 510.0366 28.15497 510.5187 26.39108 511.0008 24.38905 511.4829 22.15605 511.9650 20.46883 512.4471 19.85774 512.9293 19.13416 513.4114 17.98865 513.8935 16.66661 514.3756 15.41336 514.8577 14.31406 515.3398 13.35275 515.8220 12.52071 516.3041 11.82381 516.7862 11.26570 517.2683 10.99611 517.7504 10.61909 518.2325 9.848999 518.7147 8.916641 519.1968 8.260223 519.6789 8.140045 520.1610 8.057983 520.6431 7.237320 521.1252 5.824905 521.6074 5.089966 522.0895 5.548523 522.5716 6.326263 523.0537 6.476974 523.5358 6.088257 524.0179 5.708771 524.5001 5.305794 524.9822 5.063675 525.4643 5.357513 525.9464 5.916054 526.4285 5.975296 526.9106 5.206322 527.3928 4.129570 527.8749 3.703682 528.3570 4.236580 528.8391 4.743767 529.3212 5.372223 529.8033 5.842789 530.2855 5.889626 530.7676 5.648911 531.2497 5.463326 531.7318 5.536453 532.2139 5.774635 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