#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:15 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1031 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000486.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_1000486 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 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 R050160.rod _rod_data_source.block 3500000 _rod_database.code 1000486 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 128.4585 0.0000000E+00 128.9406 2.347931 129.4227 0.1091610 129.9048 1.309906 130.3869 0.6396480 130.8691 3.024902 131.3512 10.81671 131.8333 20.84171 132.3154 31.49286 132.7975 44.20697 133.2796 59.41452 133.7618 76.11963 134.2439 94.12964 134.7260 114.0151 135.2081 136.2208 135.6902 160.8086 136.1723 188.2801 136.6545 218.5303 137.1366 251.3473 137.6187 288.6273 138.1008 331.5367 138.5829 377.9466 139.0650 424.4623 139.5472 471.5602 140.0293 517.5845 140.5114 563.0452 140.9935 609.6906 141.4756 650.9389 141.9577 686.8493 142.4399 717.2397 142.9220 741.1332 143.4041 758.6793 143.8862 769.4714 144.3683 772.8998 144.8504 767.1707 145.3326 758.4163 145.8147 747.5668 146.2968 734.5076 146.7789 719.2873 147.2610 701.9799 147.7431 682.4974 148.2253 660.2074 148.7074 632.6837 149.1895 605.9689 149.6716 581.6400 150.1537 559.9071 150.6358 538.0804 151.1180 515.8634 151.6001 494.1919 152.0822 474.5452 152.5643 457.1962 153.0464 444.6043 153.5285 436.7390 154.0107 434.0246 154.4928 432.0053 154.9749 429.4797 155.4570 426.4728 155.9391 423.2106 156.4212 419.5199 156.9034 414.7085 157.3855 408.3397 157.8676 401.5508 158.3497 394.8104 158.8318 389.4161 159.3139 384.2642 159.7961 377.3141 160.2782 367.4103 160.7603 356.0823 161.2424 343.8473 161.7245 330.2758 162.2066 316.9606 162.6888 304.6800 163.1709 293.0335 163.6530 281.1452 164.1351 268.2015 164.6172 255.1681 165.0993 242.6246 165.5815 230.5250 166.0636 219.1283 166.5457 208.8958 167.0278 199.4611 167.5099 189.7134 167.9921 179.1066 168.4742 167.9294 168.9563 156.4135 169.4384 144.4221 169.9205 132.3075 170.4026 120.3669 170.8848 108.5053 171.3669 96.52567 171.8490 83.79568 172.3311 71.06961 172.8132 59.23282 173.2953 48.53870 173.7775 38.77255 174.2596 29.86322 174.7417 21.72974 175.2238 14.07419 175.7059 6.378204 176.1880 0.8833920 176.6702 6.864075 177.1523 10.96268 177.6344 13.89810 178.1165 16.47403 178.5986 18.71365 179.0807 20.53766 179.5629 21.97528 180.0450 22.98352 180.5271 23.43842 181.0092 23.24353 181.4913 22.52521 181.9734 21.50610 182.4556 20.19977 182.9377 18.51538 183.4198 16.30157 183.9019 13.60202 184.3840 10.63232 184.8661 7.590973 185.3483 4.301971 185.8304 0.1423030 186.3125 5.441956 186.7946 11.43030 187.2767 17.42926 187.7588 23.47845 188.2409 29.42825 188.7231 34.80276 189.2052 39.99014 189.6873 46.44522 190.1694 54.24503 190.6515 63.19858 191.1336 73.26547 191.6158 84.41385 192.0979 96.14285 192.5800 108.4893 193.0621 121.3559 193.5442 134.0352 194.0263 146.3016 194.5085 159.5066 194.9906 175.5338 195.4727 194.3590 195.9548 214.7803 196.4369 235.5964 196.9190 256.9665 197.4012 281.5947 197.8833 309.3300 198.3654 340.5973 198.8475 375.1454 199.3296 413.1120 199.8117 454.1984 200.2939 498.9120 200.7760 547.0845 201.2581 597.0337 201.7402 650.2729 202.2223 702.2981 202.7044 747.0124 203.1866 784.7715 203.6687 811.2763 204.1508 825.0827 204.6329 826.3592 205.1150 812.5291 205.5971 781.2828 206.0793 737.8256 206.5614 689.7070 207.0435 635.5729 207.5256 583.8630 208.0077 537.7228 208.4898 496.9159 208.9720 463.0767 209.4541 436.3563 209.9362 416.4332 210.4183 403.1026 210.9004 397.2137 211.3825 395.6682 211.8647 397.1081 212.3468 401.3802 212.8289 409.3487 213.3110 421.2990 213.7931 436.9005 214.2752 455.4248 214.7574 477.7263 215.2395 501.5692 215.7216 526.3296 216.2037 551.8679 216.6858 578.0995 217.1679 606.1951 217.6501 634.1720 218.1322 657.4294 218.6143 676.4247 219.0964 690.3442 219.5785 698.9627 220.0606 703.3184 220.5428 699.5780 221.0249 686.8141 221.5070 666.3676 221.9891 641.4413 222.4712 610.8363 222.9533 577.4913 223.4355 542.9557 223.9176 505.8474 224.3997 469.9430 224.8818 434.4488 225.3639 400.3586 225.8460 368.9880 226.3282 340.7139 226.8103 314.8688 227.2924 291.7941 227.7745 271.3561 228.2566 253.0676 228.7387 237.1801 229.2209 223.2904 229.7030 210.8326 230.1851 199.3843 230.6672 189.8435 231.1493 182.7245 231.6314 178.6840 232.1136 175.1294 232.5957 171.7535 233.0778 168.9229 233.5599 167.4901 234.0420 167.3943 234.5241 168.2534 235.0063 170.0925 235.4884 173.0269 235.9705 176.7491 236.4526 181.2281 236.9347 186.6041 237.4168 193.2572 237.8990 201.5708 238.3811 210.6028 238.8632 219.9110 239.3453 229.3597 239.8274 239.6591 240.3095 250.4637 240.7917 262.4150 241.2738 276.7547 241.7559 293.8641 242.2380 312.7793 242.7201 332.9794 243.2022 354.3659 243.6844 377.8199 244.1665 403.7632 244.6486 431.4985 245.1307 460.0917 245.6128 489.8358 246.0949 519.9118 246.5771 550.3457 247.0592 581.6768 247.5413 611.4305 248.0234 639.8363 248.5055 666.2911 248.9876 689.3345 249.4697 709.0072 249.9519 725.4566 250.4340 738.3032 250.9161 746.9633 251.3982 754.7836 251.8803 760.2307 252.3624 766.0466 252.8446 776.0390 253.3267 791.6309 253.8088 808.8231 254.2909 827.6136 254.7730 848.8767 255.2551 865.8089 255.7373 879.7717 256.2194 888.0687 256.7015 887.5522 257.1836 878.5642 257.6657 859.9418 258.1479 829.8987 258.6300 788.1674 259.1121 743.8646 259.5942 696.2418 260.0763 646.8134 260.5584 595.1508 261.0406 540.2398 261.5227 487.0063 262.0048 436.0312 262.4869 387.7941 262.9690 343.0992 263.4511 302.2734 263.9333 264.7039 264.4154 229.9363 264.8975 197.4921 265.3796 168.5110 265.8617 143.3242 266.3438 121.9564 266.8260 101.9666 267.3081 83.19312 267.7902 66.33633 268.2723 52.75375 268.7544 42.90634 269.2365 33.74103 269.7187 24.70932 270.2008 15.93045 270.6829 8.565002 271.1650 2.777191 271.6471 1.999756 272.1292 6.011902 272.6114 9.098969 273.0935 11.34363 273.5756 12.62225 274.0577 12.84039 274.5398 11.37360 275.0219 8.260742 275.5041 4.134369 275.9862 0.8631290 276.4683 6.777527 276.9504 12.35709 277.4325 17.07065 277.9146 21.37579 278.3968 26.56165 278.8788 32.66080 279.3610 39.05164 279.8431 45.14813 280.3252 50.85135 280.8073 57.71768 281.2894 66.23007 281.7715 75.96881 282.2537 85.53354 282.7358 94.79892 283.2179 105.2227 283.7000 117.6766 284.1821 132.1718 284.6642 147.1987 285.1464 162.5717 285.6285 179.0512 286.1106 198.0386 286.5927 219.5350 287.0748 242.0005 287.5569 265.2120 288.0391 289.0743 288.5212 312.4930 289.0033 335.8005 289.4854 357.7456 289.9675 377.1272 290.4496 393.9806 290.9318 407.8478 291.4139 418.9140 291.8960 427.0098 292.3781 431.4392 292.8602 432.2505 293.3423 429.4573 293.8245 423.4333 294.3066 413.9699 294.7887 399.8502 295.2708 379.8962 295.7529 355.6865 296.2350 329.2219 296.7172 300.6415 297.1993 273.2166 297.6814 249.1848 298.1635 228.1649 298.6456 209.4662 299.1277 192.6432 299.6099 178.0097 300.0920 167.1918 300.5741 159.7035 301.0562 153.1904 301.5383 146.4305 302.0204 139.3352 302.5026 131.7865 302.9847 123.5608 303.4668 115.1538 303.9489 106.7670 304.4310 98.59055 304.9131 90.73618 305.3953 82.42178 305.8774 74.85095 306.3595 69.77884 306.8416 67.59238 307.3237 67.28525 307.8058 68.34946 308.2880 70.66089 308.7701 73.92969 309.2522 77.93225 309.7343 82.91150 310.2164 89.54819 310.6985 98.16229 311.1807 106.4834 311.6628 113.8694 312.1449 119.8939 312.6270 123.6751 313.1091 125.4141 313.5912 124.4963 314.0734 120.0071 314.5555 111.9520 315.0376 102.5375 315.5197 92.74280 316.0018 82.17004 316.4839 70.65274 316.9661 55.56476 317.4482 41.77216 317.9303 31.51810 318.4124 24.53928 318.8945 18.83887 319.3766 13.24371 319.8588 8.935425 320.3409 6.858307 320.8230 8.158234 321.3051 10.40378 321.7872 12.82861 322.2693 15.67963 322.7515 19.71158 323.2336 25.99231 323.7157 32.82794 324.1978 39.57217 324.6799 46.59720 325.1620 52.48032 325.6442 57.96179 326.1263 62.06708 326.6084 63.06708 327.0905 59.24448 327.5726 53.71890 328.0547 47.25534 328.5369 39.80823 329.0190 31.63513 329.5011 22.21289 329.9832 12.22092 330.4653 2.457977 330.9474 8.269043 331.4296 17.14175 331.9117 23.21017 332.3938 26.22458 332.8759 29.08157 333.3580 32.56238 333.8401 35.04330 334.3223 35.30301 334.8044 32.77371 335.2865 29.24255 335.7686 24.77988 336.2507 19.44821 336.7328 13.96838 337.2150 8.548309 337.6971 2.591766 338.1792 4.465057 338.6613 12.79837 339.1434 21.18555 339.6255 29.47739 340.1077 37.82910 340.5898 47.05289 341.0719 57.19278 341.5540 67.26779 342.0361 76.47455 342.5182 84.80206 343.0004 94.06265 343.4825 104.5096 343.9646 115.1216 344.4467 124.1835 344.9288 131.5740 345.4109 138.8219 345.8931 146.4932 346.3752 154.4245 346.8573 161.6262 347.3394 168.1681 347.8215 173.9937 348.3036 179.0036 348.7858 183.2446 349.2679 186.8837 349.7500 189.6766 350.2321 192.1799 350.7142 195.8422 351.1964 200.4471 351.6785 204.0970 352.1606 205.5164 352.6427 204.9311 353.1248 202.8091 353.6069 199.1876 354.0891 194.1284 354.5712 187.4593 355.0533 179.4034 355.5354 170.4380 356.0175 159.7151 356.4996 148.8864 356.9818 139.5391 357.4639 131.8462 357.9460 125.2628 358.4281 118.8195 358.9102 113.3322 359.3923 110.0900 359.8745 110.4473 360.3566 112.5192 360.8387 115.1622 361.3208 118.4023 361.8029 122.8225 362.2850 129.1956 362.7672 136.5999 363.2493 144.2411 363.7314 150.9620 364.2135 159.0926 364.6956 169.3433 365.1777 181.5330 365.6599 194.9928 366.1420 210.3829 366.6241 226.4444 367.1062 242.2117 367.5883 256.7075 368.0704 273.1342 368.5526 292.5232 369.0347 313.8232 369.5168 335.7300 369.9989 357.8159 370.4810 380.8994 370.9631 404.8900 371.4453 429.4982 371.9274 457.3702 372.4095 489.2294 372.8916 523.3594 373.3737 558.5153 373.8558 594.3143 374.3380 632.0536 374.8201 672.2499 375.3022 714.9064 375.7843 758.7623 376.2664 804.3693 376.7485 850.9567 377.2307 897.7117 377.7128 944.5418 378.1949 993.9821 378.6770 1046.592 379.1591 1101.104 379.6412 1154.596 380.1234 1207.784 380.6055 1257.924 381.0876 1304.106 381.5697 1346.166 382.0518 1384.813 382.5339 1419.930 383.0161 1450.516 383.4982 1474.944 383.9803 1493.532 384.4624 1506.562 384.9445 1513.093 385.4266 1515.042 385.9088 1515.226 386.3909 1513.667 386.8730 1510.963 387.3551 1506.870 387.8372 1501.874 388.3193 1496.544 388.8015 1490.327 389.2836 1484.804 389.7657 1481.118 390.2478 1479.529 390.7299 1480.228 391.2120 1483.592 391.6942 1489.300 392.1763 1498.207 392.6584 1510.532 393.1405 1521.747 393.6226 1530.579 394.1047 1536.757 394.5869 1539.785 395.0690 1541.707 395.5511 1538.373 396.0332 1529.433 396.5153 1514.185 396.9974 1489.916 397.4796 1455.834 397.9617 1412.657 398.4438 1360.561 398.9259 1297.316 399.4080 1229.183 399.8901 1153.180 400.3723 1072.843 400.8544 995.6929 401.3365 920.3060 401.8186 849.1675 402.3007 783.1100 402.7828 722.3492 403.2649 664.5131 403.7470 608.4638 404.2292 556.3375 404.7113 511.0241 405.1934 473.6947 405.6755 438.7855 406.1576 405.8710 406.6397 374.9532 407.1219 346.5966 407.6040 320.8513 408.0861 297.4432 408.5682 276.0446 409.0503 256.9948 409.5324 240.5562 410.0146 227.1015 410.4967 215.2381 410.9788 202.6364 411.4609 189.6156 411.9430 178.2269 412.4251 169.7034 412.9073 163.2553 413.3894 156.5878 413.8715 149.7085 414.3536 143.8488 414.8357 140.1492 415.3178 138.0800 415.8000 136.8174 416.2821 136.4847 416.7642 136.2574 417.2463 134.9246 417.7284 133.0080 418.2105 131.9247 418.6927 132.9211 419.1748 134.6678 419.6569 136.5281 420.1390 138.5780 420.6211 139.5108 421.1032 138.2767 421.5854 135.8187 422.0675 133.1707 422.5496 130.8907 423.0317 128.1531 423.5138 124.9343 423.9959 121.1589 424.4781 116.1926 424.9602 109.0673 425.4423 101.4952 425.9244 94.19781 426.4065 87.19653 426.8886 80.53043 427.3708 74.01364 427.8529 67.85083 428.3350 62.41565 428.8171 58.28265 429.2992 53.79852 429.7813 48.38016 430.2635 42.09116 430.7456 36.31967 431.2277 31.20840 431.7098 26.38824 432.1919 21.35147 432.6740 15.99612 433.1562 11.82797 433.6383 9.260040 434.1204 7.637115 434.6025 5.567963 435.0846 3.071838 435.5667 0.9821470 436.0489 0.1863400 436.5310 0.6258540 437.0131 0.9848020 437.4952 1.298187 437.9773 1.247803 438.4594 0.4182430 438.9416 1.001923 439.4237 2.613007 439.9058 4.294373 440.3879 6.131195 440.8700 8.336212 441.3521 10.81830 441.8343 13.24353 442.3164 15.98459 442.7985 18.24860 443.2806 19.23395 443.7627 18.55896 444.2448 17.82681 444.7270 18.25626 445.2091 18.80228 445.6912 18.22470 446.1733 15.59848 446.6554 12.43893 447.1375 9.149231 447.6197 5.699158 448.1018 1.780548 448.5839 4.051117 449.0660 9.133148 449.5481 12.05945 450.0302 11.62463 450.5124 11.54578 450.9945 11.79776 451.4766 12.40637 451.9587 13.71332 452.4408 16.47253 452.9229 17.81485 453.4051 16.83746 453.8872 13.72501 454.3693 10.03613 454.8514 5.871582 455.3335 0.6082760 455.8156 6.705139 456.2978 15.85272 456.7799 24.87955 457.2620 33.42755 457.7441 42.20416 458.2262 52.18622 458.7083 63.31949 459.1905 75.82278 459.6726 90.15073 460.1547 105.6376 460.6368 121.1065 461.1189 136.7007 461.6010 153.3600 462.0832 172.5914 462.5653 193.0009 463.0474 212.7687 463.5295 231.9240 464.0116 250.0201 464.4937 266.8882 464.9759 282.5456 465.4580 296.5016 465.9401 309.0009 466.4222 319.4849 466.9043 327.2458 467.3864 331.9644 467.8686 336.2370 468.3507 339.1679 468.8328 342.5004 469.3149 347.4632 469.7970 354.3188 470.2791 362.3190 470.7613 371.3287 471.2434 381.4232 471.7255 392.7956 472.2076 405.4412 472.6897 419.3895 473.1718 435.2238 473.6540 452.8823 474.1361 469.9125 474.6182 486.0468 475.1003 502.5356 475.5824 521.0574 476.0645 541.4451 476.5467 561.4349 477.0288 580.9272 477.5109 599.5193 477.9930 616.0790 478.4751 630.9564 478.9572 645.8007 479.4394 661.6511 479.9215 678.0011 480.4036 693.1213 480.8857 706.9169 481.3678 723.2168 481.8499 745.9120 482.3321 772.0842 482.8142 798.1266 483.2963 821.9031 483.7784 847.2384 484.2605 876.3159 484.7426 907.9713 485.2248 939.1862 485.7069 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