#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:33:50 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1148 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000568.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_1000568 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 R050160 _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 R050160.rod _rod_data_source.block 3500000 _rod_database.code 1000568 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 154.2135 0.0000000E+00 154.6956 1.6205000E-02 155.1777 3.330750 155.6598 7.990631 156.1420 13.04572 156.6241 18.27454 157.1062 23.12082 157.5883 27.43100 158.0704 30.99722 158.5525 33.54688 159.0347 35.23993 159.5168 36.37027 159.9989 37.06036 160.4810 36.76730 160.9631 36.32925 161.4452 35.68982 161.9274 34.92178 162.4095 34.21970 162.8916 34.15500 163.3737 34.50064 163.8558 35.09892 164.3379 36.05649 164.8201 37.84039 165.3022 41.63852 165.7843 46.33450 166.2664 50.33264 166.7485 52.63046 167.2306 53.64586 167.7128 52.73355 168.1949 49.82796 168.6770 46.42371 169.1591 43.52818 169.6412 40.83623 170.1233 37.43544 170.6055 33.02139 171.0876 27.67953 171.5697 23.15508 172.0518 19.87515 172.5339 16.67456 173.0160 13.16370 173.4982 9.464111 173.9803 6.098236 174.4624 3.529358 174.9445 1.786942 175.4266 4.1168001E-02 175.9087 2.050705 176.3909 3.932129 176.8730 5.157349 177.3551 5.700134 177.8372 5.727737 178.3193 5.134262 178.8014 4.086868 179.2836 3.081390 179.7657 2.464539 180.2478 1.862976 180.7299 0.6926730 181.2120 1.133987 181.6941 3.329208 182.1763 6.183167 182.6584 9.247711 183.1405 11.58170 183.6226 12.10718 184.1047 11.56465 184.5868 12.52867 185.0690 15.81377 185.5511 19.48869 186.0332 22.79961 186.5153 25.76398 186.9974 28.44383 187.4795 30.78046 187.9617 32.80559 188.4438 34.93015 188.9259 36.53749 189.4080 38.96510 189.8901 42.96161 190.3722 48.12520 190.8544 53.56187 191.3365 58.46956 191.8186 62.79158 192.3007 67.70573 192.7828 73.43657 193.2649 79.56964 193.7471 85.79608 194.2292 92.24539 194.7113 99.32794 195.1934 107.3499 195.6755 116.3495 196.1576 126.4807 196.6398 138.1087 197.1219 150.2635 197.6040 161.9402 198.0861 173.4192 198.5682 186.2009 199.0503 201.7490 199.5325 220.5592 200.0146 240.1870 200.4967 261.9145 200.9788 283.4219 201.4609 304.1443 201.9430 323.7470 202.4252 340.4885 202.9073 353.2630 203.3894 361.5634 203.8715 363.1761 204.3536 356.1804 204.8357 343.4362 205.3179 326.5124 205.8000 305.3878 206.2821 282.9120 206.7642 260.7829 207.2463 239.1411 207.7284 219.8106 208.2106 202.8775 208.6927 188.5626 209.1748 177.2441 209.6569 168.9888 210.1390 163.4939 210.6211 161.0195 211.1033 161.0240 211.5854 162.9655 212.0675 167.8235 212.5496 174.4505 213.0317 182.4805 213.5138 191.9624 213.9960 202.7482 214.4781 215.1649 214.9602 228.6706 215.4423 242.2362 215.9244 255.4990 216.4065 268.5552 216.8886 281.2310 217.3708 294.3306 217.8529 305.2752 218.3350 313.8259 218.8171 319.7430 219.2992 322.6098 219.7813 322.0517 220.2635 318.2521 220.7456 312.2504 221.2277 303.4862 221.7098 292.8757 222.1919 280.1058 222.6740 265.9305 223.1562 251.3480 223.6383 236.9390 224.1204 222.7628 224.6025 209.5179 225.0846 197.0037 225.5667 185.9607 226.0489 176.7008 226.5310 168.9959 227.0131 162.5205 227.4952 157.0715 227.9773 152.6347 228.4594 148.5060 228.9416 144.1561 229.4237 140.6841 229.9058 138.3707 230.3879 137.1545 230.8700 136.9478 231.3521 137.7394 231.8343 139.4759 232.3164 141.4174 232.7985 143.2409 233.2806 145.5503 233.7627 148.3207 234.2448 151.6859 234.7270 156.0950 235.2091 162.0166 235.6912 169.2061 236.1733 174.9699 236.6554 177.4653 237.1375 180.9062 237.6197 187.1621 238.1018 195.3631 238.5839 203.4515 239.0660 210.0564 239.5481 215.6623 240.0302 223.3012 240.5124 233.8915 240.9945 244.9874 241.4766 255.3284 241.9587 265.4210 242.4408 276.6413 242.9229 289.9048 243.4051 304.6880 243.8872 319.2020 244.3693 332.9162 244.8514 347.0807 245.3335 362.2927 245.8156 378.3164 246.2978 394.7621 246.7799 412.1592 247.2620 428.9587 247.7441 442.3497 248.2262 452.2770 248.7083 459.5238 249.1905 463.6073 249.6726 465.0895 250.1547 465.8994 250.6368 466.2388 251.1189 466.8191 251.6010 468.4262 252.0832 470.9224 252.5653 474.8016 253.0474 481.2692 253.5295 489.6613 254.0116 497.3794 254.4937 504.2656 254.9759 509.2926 255.4580 512.5916 255.9401 514.3558 256.4222 511.7988 256.9043 502.9695 257.3864 488.2506 257.8686 469.3181 258.3507 445.2992 258.8328 418.2301 259.3149 390.1019 259.7970 360.9898 260.2791 331.4418 260.7613 300.7837 261.2434 269.6341 261.7255 241.1784 262.2076 216.4814 262.6897 194.0508 263.1718 172.3004 263.6540 151.4094 264.1361 132.1114 264.6182 114.9215 265.1003 99.82083 265.5824 86.27167 266.0645 74.79208 266.5467 64.41161 267.0288 54.22375 267.5109 44.55858 267.9930 36.23492 268.4751 30.03232 268.9572 25.57816 269.4394 21.11510 269.9215 16.44481 270.4036 12.07889 270.8857 8.041763 271.3678 4.409134 271.8499 1.407928 272.3321 0.5510250 272.8142 1.731079 273.2963 3.246399 273.7784 5.871048 274.2605 7.422058 274.7426 7.136353 275.2248 5.673996 275.7069 3.843872 276.1890 2.076218 276.6711 0.2637020 277.1532 1.928955 277.6353 4.742004 278.1175 7.418243 278.5996 9.606888 279.0817 11.62997 279.5638 13.72881 280.0459 16.00868 280.5280 18.64064 281.0102 21.95065 281.4923 26.07022 281.9744 30.64577 282.4565 35.39197 282.9386 40.62065 283.4207 46.51530 283.9029 53.13838 284.3850 60.48212 284.8671 68.57164 285.3492 77.53526 285.8313 86.99457 286.3134 96.97922 286.7956 107.3468 287.2777 118.2561 287.7598 129.5625 288.2419 140.8377 288.7240 151.7602 289.2061 162.4639 289.6883 171.9640 290.1704 180.5669 290.6525 187.8033 291.1346 193.5281 291.6167 197.6685 292.0988 200.1323 292.5810 200.8927 293.0631 199.9964 293.5452 196.8386 294.0273 190.8413 294.5094 183.1950 294.9915 173.7780 295.4737 162.9713 295.9558 151.1945 296.4379 138.5342 296.9200 125.1281 297.4021 114.0277 297.8842 106.7334 298.3664 100.2805 298.8485 94.10599 299.3306 88.42145 299.8127 83.89647 300.2948 80.99594 300.7769 79.17953 301.2591 76.25122 301.7412 70.83623 302.2233 65.91330 302.7054 62.32434 303.1875 59.16652 303.6696 55.19347 304.1518 49.93738 304.6339 44.26044 305.1160 39.95988 305.5981 37.68045 306.0802 36.05707 306.5623 34.81606 307.0445 34.29248 307.5266 34.95230 308.0087 36.82774 308.4908 39.34038 308.9729 41.68469 309.4550 43.77184 309.9372 45.90021 310.4193 48.52007 310.9014 50.84225 311.3835 52.44914 311.8656 53.28188 312.3477 53.48123 312.8299 53.26804 313.3120 52.80765 313.7941 50.67778 314.2762 46.06059 314.7583 40.83795 315.2404 35.44641 315.7226 30.04321 316.2047 24.63045 316.6868 19.11943 317.1689 13.60707 317.6510 9.695358 318.1331 8.570679 318.6153 7.711502 319.0974 6.431366 319.5795 5.121094 320.0616 4.391891 320.5437 4.558517 321.0258 5.543243 321.5080 7.119278 321.9901 9.662354 322.4722 12.37769 322.9543 15.21584 323.4364 18.19470 323.9185 21.74661 324.4007 25.88661 324.8828 29.66379 325.3649 31.32559 325.8470 29.80832 326.3291 28.02637 326.8112 26.56145 327.2934 24.45978 327.7755 20.75485 328.2576 15.49809 328.7397 9.702957 329.2218 4.352097 329.7039 0.6773680 330.1861 4.609192 330.6682 6.673065 331.1503 8.591522 331.6324 11.59732 332.1145 15.18970 332.5966 17.94490 333.0788 18.74869 333.5609 17.67642 334.0430 16.37550 334.5251 14.98665 335.0072 13.18878 335.4893 10.86543 335.9715 8.129730 336.4536 5.167816 336.9357 2.101761 337.4178 1.200577 337.8999 5.069977 338.3820 10.15891 338.8642 14.88951 339.3463 18.84628 339.8284 22.59206 340.3105 26.68459 340.7926 31.27534 341.2747 35.97632 341.7568 40.19363 342.2390 43.70403 342.7211 47.24280 343.2032 50.70837 343.6853 54.25827 344.1674 58.24203 344.6495 62.48842 345.1317 66.34991 345.6138 69.15419 346.0959 70.83704 346.5780 72.55380 347.0601 74.06204 347.5422 75.86404 348.0244 78.59009 348.5065 81.66316 348.9886 83.98154 349.4707 84.74704 349.9528 84.46063 350.4349 85.22404 350.9171 88.31241 351.3992 90.46463 351.8813 91.11426 352.3634 90.64047 352.8455 89.31003 353.3276 87.22485 353.8098 84.57407 354.2919 81.66264 354.7740 78.49448 355.2561 75.03905 355.7382 70.65860 356.2203 66.47581 356.7025 62.99452 357.1846 60.34291 357.6667 58.58437 358.1488 58.01965 358.6309 58.69733 359.1130 59.18082 359.5952 58.64496 360.0773 58.90146 360.5594 60.75293 361.0415 63.90025 361.5236 67.72639 362.0057 72.00218 362.4879 76.61481 362.9700 81.22696 363.4521 85.58195 363.9342 90.48117 364.4163 96.27980 364.8984 102.6815 365.3806 109.4445 365.8627 116.5401 366.3448 123.9206 366.8269 131.4620 367.3090 139.1570 367.7911 147.3617 368.2733 156.0158 368.7554 165.4052 369.2375 175.6151 369.7196 186.7071 370.2017 198.7648 370.6838 212.2859 371.1660 226.9409 371.6481 240.6546 372.1302 251.9785 372.6123 264.8075 373.0944 282.5461 373.5765 303.5659 374.0587 324.6428 374.5408 343.9692 375.0229 362.9749 375.5050 383.8726 375.9871 406.7356 376.4692 430.1673 376.9514 453.6413 377.4335 477.0575 377.9156 500.3768 378.3977 523.6600 378.8798 546.8982 379.3619 570.9318 379.8441 595.1524 380.3262 616.9868 380.8083 635.7812 381.2904 651.9718 381.7725 666.1912 382.2546 678.5532 382.7368 688.8432 383.2189 697.5655 383.7010 703.9826 384.1831 706.6392 384.6652 705.3018 385.1473 702.0128 385.6295 698.0339 386.1116 693.3093 386.5937 687.8812 387.0758 680.4973 387.5579 673.2863 388.0400 667.4673 388.5222 663.0918 389.0043 659.7878 389.4864 657.3143 389.9685 655.7526 390.4506 655.7009 390.9327 657.7028 391.4149 660.1983 391.8970 662.7937 392.3791 665.7587 392.8612 670.0016 393.3433 675.6180 393.8254 680.7301 394.3076 683.2236 394.7897 682.7538 395.2718 680.4592 395.7539 678.0984 396.2360 672.1976 396.7181 660.6710 397.2003 643.9075 397.6824 623.5229 398.1645 600.4599 398.6466 574.8921 399.1287 546.6613 399.6108 513.0750 400.0930 480.2867 400.5751 448.2938 401.0572 417.6286 401.5393 388.5313 402.0214 361.1812 402.5035 335.5150 402.9857 311.4017 403.4678 288.6683 403.9499 268.2316 404.4320 250.6029 404.9141 234.3293 405.3962 218.6665 405.8784 203.7103 406.3605 189.9756 406.8426 178.0030 407.3247 167.5782 407.8068 157.6533 408.2889 147.9476 408.7711 139.3408 409.2532 132.2860 409.7353 126.1870 410.2174 120.3321 410.6995 114.4889 411.1816 109.1168 411.6638 104.9657 412.1459 102.2416 412.6280 99.70023 413.1101 97.05476 413.5922 94.70312 414.0743 92.65848 414.5565 91.05513 415.0386 90.32417 415.5207 91.25244 416.0028 93.31166 416.4849 94.42453 416.9670 94.08594 417.4492 94.07059 417.9313 96.13696 418.4134 98.82030 418.8955 100.0993 419.3776 99.10114 419.8597 97.52074 420.3419 97.25575 420.8240 98.09528 421.3061 98.04837 421.7882 96.49979 422.2703 93.89072 422.7524 90.55403 423.2346 86.49051 423.7167 82.66635 424.1988 79.94263 424.6809 77.42621 425.1630 73.64757 425.6451 68.47464 426.1273 63.32599 426.6094 59.32706 427.0915 56.26408 427.5736 52.74527 428.0557 48.47736 428.5378 44.08823 429.0200 39.64546 429.5021 35.30321 429.9842 31.40538 430.4663 28.06302 430.9484 25.19844 431.4305 22.74196 431.9127 20.99774 432.3948 18.90234 432.8769 15.52640 433.3590 12.51308 433.8411 11.44164 434.3232 12.02600 434.8054 12.56122 435.2875 11.67429 435.7696 9.556213 436.2517 8.209518 436.7338 8.309616 437.2159 8.414886 437.6981 8.172272 438.1802 7.894348 438.6623 8.087555 439.1444 8.873672 439.6265 9.704742 440.1086 9.603302 440.5908 8.050598 441.0729 7.280548 441.5550 7.811249 442.0371 8.660690 442.5192 9.751419 443.0013 10.83652 443.4835 11.44807 443.9656 11.24913 444.4477 10.39990 444.9298 9.434875 445.4119 8.458740 445.8940 7.083740 446.3762 4.781845 446.8583 2.252151 447.3404 0.2133940 447.8225 1.182785 448.3046 2.665176 448.7867 5.306442 449.2689 8.733856 449.7510 10.81052 450.2331 10.87660 450.7152 10.31409 451.1973 10.06194 451.6794 10.04764 452.1616 10.12898 452.6437 10.86728 453.1258 11.21407 453.6079 10.18906 454.0900 7.865036 454.5721 4.558960 455.0543 9.3535997E-02 455.5364 4.873383 456.0185 8.819641 456.5006 11.29596 456.9827 14.59174 457.4648 19.37793 457.9470 25.14584 458.4291 31.43437 458.9112 38.16432 459.3933 45.48158 459.8754 53.63014 460.3575 62.59538 460.8397 71.21968 461.3218 78.96803 461.8039 87.07343 462.2860 95.92996 462.7681 105.3219 463.2502 115.1965 463.7324 125.4711 464.2145 135.3855 464.6966 143.6990 465.1787 149.9548 465.6608 155.8107 466.1429 161.3768 466.6251 166.4554 467.1072 170.5872 467.5893 174.1707 468.0714 178.0920 468.5535 182.9559 469.0356 188.4288 469.5178 193.3859 469.9999 197.2660 470.4820 202.1758 470.9641 208.9416 471.4462 216.7980 471.9283 225.4660 472.4105 234.8493 472.8926 244.3941 473.3747 253.4093 473.8568 262.2276 474.3389 272.1848 474.8210 283.8075 475.3032 295.2632 475.7853 305.5184 476.2674 314.7241 476.7495 322.9450 477.2316 330.0478 477.7137 336.3262 478.1959 341.8684 478.6780 346.7143 479.1601 350.8155 479.6422 353.9015 480.1243 357.1396 480.6064 362.1078 481.0886 369.0785 481.5707 376.2268 482.0528 382.7237 482.5349 389.9870 483.0170 399.0958 483.4991 409.7735 483.9813 421.2698 484.4634 433.3413 484.9455 445.4928 485.4276 456.2741 485.9097 464.0356 486.3918 472.7947 486.8740 483.4349 487.3561 494.4664 487.8382 504.4012 488.3203 513.4742 488.8024 523.3011 489.2845 535.5325 489.7667 549.9080 490.2488 563.5336 490.7309 575.0458 491.2130 588.1868 491.6951 604.7892 492.1772 622.8845 492.6594 640.4543 493.1415 656.9631 493.6236 673.1733 494.1057 689.7567 494.5878 706.7021 495.0699 723.8034 495.5521 742.2244 496.0342 758.4047 496.5163 769.4147 496.9984 776.2704 497.4805 780.5375 497.9626 783.5178 498.4448 782.9390 498.9269 777.3115 499.4090 766.6674 499.8911 750.5222 500.3732 728.2084 500.8553 701.8708 501.3375 674.0890 501.8196 644.7493 502.3017 614.1824 502.7838 581.7615 503.2659 548.7029 503.7480 514.7652 504.2302 480.7586 504.7123 448.2116 505.1944 417.9704 505.6765 389.7600 506.1586 362.6999 506.6407 336.4948 507.1228 311.7204 507.6049 288.0848 508.0871 266.1031 508.5692 246.2848 509.0513 228.4418 509.5334 211.9034 510.0155 196.2514 510.4977 181.4350 510.9798 167.7416 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