#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:46 +0300 (Thu, 07 Jun 2018) $ #$Revision: 930 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000401.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_1000401 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 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 R060032.rod _rod_data_source.block 3500000 _rod_database.code 1000401 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 171.8177 0.0000000E+00 172.2998 2.454590 172.7820 5.378906 173.2641 7.126953 173.7462 11.26172 174.2283 9.476807 174.7104 4.729004 175.1925 8.9599997E-02 175.6747 0.1311040 176.1568 7.194824 176.6389 13.74927 177.1210 13.52759 177.6031 8.967041 178.0852 4.441895 178.5674 2.670654 179.0495 2.421875 179.5316 1.617432 180.0137 0.2548830 180.4958 1.902100 180.9779 1.589111 181.4601 0.4814450 181.9422 3.078125 182.4243 5.417969 182.9064 7.733643 183.3885 10.74243 183.8706 14.83594 184.3528 19.06860 184.8349 21.56738 185.3170 22.47485 185.7991 24.14526 186.2812 29.13574 186.7633 36.30103 187.2455 41.59302 187.7276 43.96606 188.2097 44.64575 188.6918 46.06909 189.1739 48.19360 189.6560 50.13135 190.1382 51.37427 190.6203 51.95044 191.1024 51.85815 191.5845 50.66455 192.0666 49.33911 192.5487 50.33276 193.0309 53.80737 193.5130 58.44434 193.9951 64.05566 194.4772 70.56860 194.9593 75.36328 195.4414 77.16943 195.9236 77.37573 196.4057 80.79688 196.8878 87.84448 197.3699 95.53174 197.8520 100.0330 198.3341 101.2114 198.8163 106.2478 199.2984 117.7388 199.7805 134.0471 200.2626 148.2727 200.7447 160.2854 201.2268 170.4180 201.7090 178.9016 202.1911 185.8037 202.6732 190.6091 203.1553 193.3308 203.6374 193.9202 204.1195 191.4158 204.6017 185.4949 205.0838 177.4739 205.5659 168.6143 206.0480 159.0212 206.5301 147.9380 207.0122 134.7029 207.4944 119.5789 207.9765 105.9011 208.4586 93.69434 208.9407 82.82764 209.4228 73.00732 209.9049 63.97754 210.3871 56.99414 210.8692 52.87793 211.3513 51.49316 211.8334 49.32129 212.3155 45.77393 212.7976 42.44116 213.2798 41.32471 213.7619 43.24585 214.2440 44.92749 214.7261 45.35059 215.2082 44.47974 215.6903 45.00903 216.1725 47.02783 216.6546 50.27344 217.1367 54.89893 217.6188 62.05957 218.1009 67.53027 218.5830 69.85962 219.0651 68.82495 219.5473 68.94580 220.0294 70.96509 220.5115 73.19287 220.9936 73.51685 221.4757 71.51733 221.9578 68.93677 222.4400 66.55786 222.9221 64.60352 223.4042 63.21094 223.8863 62.81616 224.3684 62.46948 224.8505 61.04004 225.3327 58.27979 225.8148 55.06909 226.2969 51.41992 226.7790 47.49292 227.2611 43.96411 227.7432 40.68408 228.2254 38.04395 228.7075 36.53467 229.1896 36.60962 229.6717 37.01660 230.1538 37.50513 230.6359 38.03369 231.1181 39.06226 231.6002 40.48877 232.0823 42.48267 232.5644 45.21338 233.0465 48.87671 233.5286 52.81592 234.0108 57.17993 234.4929 62.05054 234.9750 65.24023 235.4571 64.87720 235.9392 64.45020 236.4213 68.32153 236.9035 80.12329 237.3856 89.30981 237.8677 92.08545 238.3498 87.57178 238.8319 89.64258 239.3140 103.1260 239.7962 118.7722 240.2783 126.6228 240.7604 121.1160 241.2425 118.3804 241.7246 122.2642 242.2067 133.2305 242.6889 143.3511 243.1710 152.6677 243.6531 161.0503 244.1352 168.2661 244.6173 173.0908 245.0994 179.0635 245.5816 187.6414 246.0637 198.9077 246.5458 207.0369 247.0279 210.8203 247.5100 212.7410 247.9921 214.8303 248.4743 216.6062 248.9564 219.7795 249.4385 225.4236 249.9206 233.4692 250.4027 239.4006 250.8848 242.8386 251.3670 244.6670 251.8491 245.3647 252.3312 244.1453 252.8133 243.5508 253.2954 244.0120 253.7775 245.4719 254.2597 247.3801 254.7418 250.3030 255.2239 252.8889 255.7060 254.2761 256.1881 254.9585 256.6702 253.1538 257.1523 248.1895 257.6345 240.3354 258.1166 232.2695 258.5987 225.2095 259.0808 216.2422 259.5629 202.3674 260.0450 181.1458 260.5272 162.3799 261.0093 147.9006 261.4914 136.9741 261.9735 125.9048 262.4556 114.7598 262.9377 103.5330 263.4199 92.08032 263.9020 79.89722 264.3841 69.47437 264.8662 61.51099 265.3483 55.24316 265.8304 47.36011 266.3126 36.97656 266.7947 27.18652 267.2768 19.84204 267.7589 15.14575 268.2410 12.44458 268.7231 12.80347 269.2053 14.62207 269.6874 12.33765 270.1695 3.906738 270.6516 3.181641 271.1337 3.868896 271.6158 3.672852 272.0980 7.867432 272.5801 7.451416 273.0622 4.142578 273.5443 0.7990720 274.0264 4.619385 274.5085 3.061279 274.9907 2.065430 275.4728 1.641846 275.9549 3.371582 276.4370 2.533447 276.9191 2.868652 277.4012 3.283203 277.8834 2.195557 278.3655 3.872559 278.8476 2.780029 279.3297 2.700195 279.8118 2.147461 280.2939 0.8525390 280.7761 1.407959 281.2582 2.104980 281.7403 1.113037 282.2224 0.6413570 282.7045 1.530029 283.1866 3.712891 283.6688 6.842041 284.1509 11.26318 284.6330 15.39478 285.1151 16.60693 285.5972 14.85254 286.0793 14.31079 286.5615 16.78369 287.0436 21.57788 287.5257 25.68945 288.0078 29.09033 288.4899 31.95825 288.9720 34.36426 289.4542 36.36938 289.9363 38.62402 290.4184 41.79224 290.9005 45.16968 291.3826 46.71313 291.8647 46.38330 292.3469 45.32495 292.8290 44.56152 293.3111 43.96338 293.7932 42.93823 294.2753 41.22803 294.7574 39.12671 295.2396 37.14233 295.7217 35.27271 296.2038 33.51611 296.6859 32.60864 297.1680 31.87476 297.6501 28.97290 298.1323 22.38159 298.6144 15.49609 299.0965 13.62207 299.5786 16.24072 300.0607 19.63794 300.5428 21.99414 301.0250 23.46826 301.5071 24.45581 301.9892 25.03638 302.4713 24.98022 302.9534 23.64893 303.4355 21.33594 303.9177 19.13403 304.3998 17.27271 304.8819 15.95435 305.3640 15.59033 305.8461 16.32324 306.3282 17.37793 306.8104 18.53027 307.2925 19.55542 307.7746 19.89111 308.2567 19.04395 308.7388 17.63892 309.2209 16.28516 309.7031 15.07080 310.1852 13.75659 310.6673 11.12891 311.1494 8.570068 311.6315 8.006836 312.1136 12.18433 312.5958 17.05371 313.0779 20.22607 313.5600 21.63330 314.0421 21.72583 314.5242 18.58374 315.0063 14.96094 315.4885 13.64502 315.9706 18.17139 316.4527 22.26099 316.9348 22.68872 317.4169 20.05298 317.8990 17.14355 318.3812 14.84155 318.8633 12.86646 319.3454 11.14380 319.8275 10.39160 320.3096 8.955322 320.7917 5.621094 321.2739 1.311523 321.7560 1.768799 322.2381 2.829102 322.7202 2.536377 323.2023 0.8776860 323.6844 3.102295 324.1666 6.228027 324.6487 7.273682 325.1308 7.189209 325.6129 7.429688 326.0950 8.073486 326.5771 9.019531 327.0593 10.61621 327.5414 13.42896 328.0235 14.20972 328.5056 11.00244 328.9877 6.206299 329.4698 2.428223 329.9520 0.1916500 330.4341 2.391113 330.9162 4.375000 331.3983 6.146729 331.8804 7.262695 332.3625 7.109863 332.8447 6.214355 333.3268 4.845703 333.8089 2.487793 334.2910 0.5410160 334.7731 0.9694820 335.2552 1.989746 335.7374 1.878662 336.2195 0.6274410 336.7016 2.470703 337.1837 1.919922 337.6658 1.641602 338.1479 5.594238 338.6301 10.12598 339.1122 14.56543 339.5943 16.88477 340.0764 15.83643 340.5585 16.51758 341.0406 22.16064 341.5227 33.35840 342.0049 41.38525 342.4870 46.00977 342.9691 48.10693 343.4512 48.25439 343.9333 46.34717 344.4154 44.70361 344.8976 44.03613 345.3797 44.32373 345.8618 46.07666 346.3439 49.75586 346.8260 52.22900 347.3081 48.72168 347.7903 40.37695 348.2724 34.97510 348.7545 35.09424 349.2366 38.68750 349.7187 43.11133 350.2008 48.22900 350.6830 50.96436 351.1651 46.34424 351.6472 37.80176 352.1293 34.09717 352.6114 38.07324 353.0935 43.57520 353.5757 43.09473 354.0578 37.99512 354.5399 33.06396 355.0220 31.08252 355.5041 30.69385 355.9862 30.20557 356.4684 29.36084 356.9505 28.99658 357.4326 29.94482 357.9147 31.73438 358.3968 33.59863 358.8789 36.39355 359.3611 38.25537 359.8432 36.89111 360.3253 32.45996 360.8074 29.24463 361.2895 28.97559 361.7716 31.12891 362.2538 35.30664 362.7359 43.74023 363.2180 51.64746 363.7001 56.79297 364.1822 59.96045 364.6643 63.75342 365.1465 69.46143 365.6286 75.81055 366.1107 82.16992 366.5928 88.46045 367.0749 94.94727 367.5570 101.1270 368.0392 107.6675 368.5213 115.7397 369.0034 126.3076 369.4855 137.3560 369.9676 148.5303 370.4497 159.7744 370.9319 170.1719 371.4140 178.9824 371.8961 187.2178 372.3782 195.6787 372.8603 203.8379 373.3424 212.8550 373.8246 223.1655 374.3067 234.5112 374.7888 245.6357 375.2709 256.4307 375.7530 267.3789 376.2351 279.1807 376.7173 292.2251 377.1994 304.5835 377.6815 315.7827 378.1636 327.0400 378.6457 341.7368 379.1278 361.0869 379.6100 378.5894 380.0921 390.7612 380.5742 397.6968 381.0563 405.1660 381.5384 413.4028 382.0205 421.6655 382.5027 428.9160 382.9848 435.1670 383.4669 440.6826 383.9490 446.3271 384.4311 450.7139 384.9132 449.8081 385.3954 443.7510 385.8775 437.2764 386.3596 434.2319 386.8417 433.4731 387.3238 432.3486 387.8059 429.7759 388.2881 427.5596 388.7702 428.9009 389.2523 432.5591 389.7344 434.7671 390.2165 432.1958 390.6986 428.0332 391.1808 425.0269 391.6629 423.2256 392.1450 423.3799 392.6271 428.1982 393.1092 434.5938 393.5913 438.4829 394.0735 436.3677 394.5556 433.3267 395.0377 431.5981 395.5198 431.2734 396.0019 431.6655 396.4840 438.5571 396.9662 442.4248 397.4483 436.6328 397.9304 411.2954 398.4125 388.3511 398.8946 372.3984 399.3767 361.0234 399.8589 348.3120 400.3410 332.8242 400.8231 316.7275 401.3052 300.2515 401.7873 282.8989 402.2694 266.9189 402.7516 253.2822 403.2337 240.2441 403.7158 225.5234 404.1979 207.1689 404.6800 191.3462 405.1621 179.4419 405.6443 171.0728 406.1264 163.8838 406.6085 158.4453 407.0906 152.7817 407.5727 144.9023 408.0548 134.4771 408.5370 126.3896 409.0191 121.6440 409.5012 118.5635 409.9833 114.2905 410.4654 108.8047 410.9475 103.1304 411.4297 97.25586 411.9118 91.50732 412.3939 87.46289 412.8760 85.25928 413.3581 83.43896 413.8402 80.45898 414.3224 76.80078 414.8045 73.70166 415.2866 72.06836 415.7687 70.56299 416.2508 67.02588 416.7329 62.04590 417.2151 58.06934 417.6972 57.78076 418.1793 58.58984 418.6614 57.75977 419.1435 54.46338 419.6256 51.32080 420.1078 51.17773 420.5899 51.83057 421.0720 50.05566 421.5541 40.81055 422.0362 32.51904 422.5183 29.05908 423.0005 30.48535 423.4826 31.96094 423.9647 32.03516 424.4468 31.98877 424.9289 32.61523 425.4110 35.45996 425.8932 37.08691 426.3753 37.04834 426.8574 35.65918 427.3395 33.56494 427.8216 29.51123 428.3037 26.29395 428.7859 24.86377 429.2680 25.35840 429.7501 26.60254 430.2322 29.55762 430.7143 31.78809 431.1964 30.01123 431.6786 23.28906 432.1607 17.57324 432.6428 14.27832 433.1249 12.70361 433.6070 10.72119 434.0891 8.401855 434.5713 5.725098 435.0534 2.661133 435.5355 0.6669920 436.0176 4.332031 436.4997 8.547852 436.9818 11.83398 437.4640 11.55615 437.9461 8.704590 438.4282 6.506348 438.9103 6.960449 439.3924 8.348145 439.8745 8.897461 440.3566 8.620117 440.8387 7.358398 441.3209 3.673828 441.8030 0.3520510 442.2851 2.251953 442.7672 0.3481450 443.2493 1.248047 443.7314 1.3184000E-02 444.2136 2.975586 444.6957 5.517578 445.1778 6.901367 445.6599 7.785645 446.1420 8.718750 446.6241 9.853027 447.1063 9.439453 447.5884 5.080566 448.0705 0.3623050 448.5526 2.011719 449.0347 0.5693360 449.5168 1.128906 449.9990 3.115234 450.4811 5.231445 450.9632 6.803223 451.4453 7.075684 451.9274 8.347656 452.4095 12.43750 452.8917 19.80713 453.3738 22.87207 453.8559 20.56787 454.3380 16.48730 454.8201 14.20947 455.3022 13.76807 455.7844 14.60596 456.2665 17.01953 456.7486 20.21826 457.2307 22.41846 457.7128 23.67627 458.1949 25.01562 458.6771 26.50049 459.1592 28.59570 459.6413 32.63232 460.1234 38.90430 460.6055 45.14160 461.0876 48.33545 461.5698 50.32666 462.0519 54.29150 462.5340 64.57422 463.0161 74.31543 463.4982 78.13818 463.9803 77.28223 464.4625 77.24121 464.9446 81.09375 465.4267 85.99463 465.9088 90.02490 466.3909 92.19971 466.8730 95.76123 467.3552 101.3867 467.8373 108.7065 468.3194 117.2896 468.8015 129.7578 469.2836 140.0952 469.7657 146.1987 470.2479 148.6870 470.7300 153.5356 471.2121 161.1343 471.6942 170.3213 472.1763 181.0640 472.6584 193.9175 473.1406 204.4614 473.6227 211.9097 474.1048 218.1250 474.5869 226.1357 475.0690 236.0259 475.5511 245.3467 476.0333 252.9277 476.5154 259.7109 476.9975 269.4180 477.4796 281.8677 477.9617 292.3853 478.4438 296.1816 478.9260 295.9639 479.4081 296.4331 479.8902 298.1802 480.3723 300.9102 480.8544 305.3716 481.3365 310.4634 481.8187 314.3149 482.3008 315.5186 482.7829 315.7510 483.2650 315.0742 483.7471 313.8301 484.2292 314.3643 484.7114 319.1182 485.1935 324.7632 485.6756 328.9722 486.1577 329.2642 486.6398 332.8286 487.1219 343.8291 487.6041 357.2700 488.0862 366.2422 488.5683 367.7969 489.0504 370.0225 489.5325 374.4170 490.0146 380.7871 490.4968 387.8550 490.9789 395.8110 491.4610 403.6226 491.9431 410.4194 492.4252 416.0312 492.9073 423.0215 493.3895 432.2739 493.8716 440.5161 494.3537 442.6401 494.8358 439.6152 495.3179 437.1958 495.8000 438.8110 496.2822 441.0981 496.7643 438.4819 497.2464 431.4492 497.7285 423.0786 498.2106 414.4688 498.6927 406.1704 499.1749 399.1680 499.6570 393.7637 500.1391 385.9336 500.6212 371.6245 501.1033 354.4424 501.5854 338.6411 502.0676 327.2788 502.5497 315.4067 503.0318 301.9199 503.5139 286.7847 503.9960 270.2290 504.4781 250.0518 504.9603 230.4917 505.4424 213.3052 505.9245 198.9854 506.4066 184.6299 506.8887 169.8818 507.3708 155.5796 507.8530 142.2070 508.3351 129.6851 508.8172 120.4800 509.2993 115.8457 509.7814 113.8638 510.2635 110.1748 510.7457 104.6938 511.2278 98.31104 511.7099 90.89307 512.1920 82.93408 512.6741 75.14502 513.1563 67.50781 513.6384 61.27002 514.1205 58.27734 514.6026 57.15771 515.0847 56.10547 515.5668 55.32422 516.0490 53.36523 516.5311 47.77295 517.0132 40.49170 517.4953 35.42090 517.9774 37.08447 518.4595 38.84912 518.9417 37.28711 519.4238 31.76123 519.9059 26.22266 520.3880 19.10596 520.8701 13.59863 521.3522 11.69189 521.8344 16.07422 522.3165 18.29932 522.7986 17.22412 523.2807 14.96094 523.7628 15.23877 524.2449 18.43408 524.7271 20.36230 525.2092 19.55225 525.6913 16.82275 526.1734 14.91260 526.6555 13.85059 527.1376 13.33936 527.6198 12.90527 528.1019 12.90723 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