#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:00:44 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1026 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000481.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_1000481 loop_ _publ_author_name 'Bragg, W L' _publ_section_title ; The Structure of Beryl, Be~3~ Al~2~ Si~6~ O~18~ ; _journal_coden_ASTM PRLAAZ _journal_name_full ; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) ; _journal_page_first 691 _journal_page_last 714 _journal_paper_doi 10.1098/rspa.1926.0088 _journal_volume 111 _journal_year 1926 _chemical_compound_source R110100 _chemical_formula_structural 'Be3 Al2 Si6 O18' _chemical_formula_sum 'Al2 Be3 O18 Si6' _chemical_name_systematic 'Triberyllium dialuminium catena-silicate' _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P 6/m c c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 9.21(1) _cell_length_b 9.21(1) _cell_length_c 9.17(1) _cell_volume 673.6 _cod_database_code 1010541 _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 R110100.rod _rod_data_source.block 3500000 _rod_database.code 1000481 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 1010541 COD http://www.crystallography.net/cod/1010541.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 169.5593 0.0000000E+00 170.0414 0.2926030 170.5236 1.3634000E-02 171.0057 0.1044270 171.4878 0.5121690 171.9699 1.269382 172.4520 1.604919 172.9341 1.545433 173.4163 1.498283 173.8984 1.720909 174.3805 2.156509 174.8626 2.696079 175.3447 3.452164 175.8268 4.219685 176.3090 4.732410 176.7911 4.981194 177.2732 5.189999 177.7553 5.312061 178.2374 5.337257 178.7195 5.444790 179.2017 5.863834 179.6838 6.363220 180.1659 6.511711 180.6480 6.288795 181.1301 6.053696 181.6122 6.227207 182.0944 6.699112 182.5765 7.099487 183.0586 7.171146 183.5407 7.076900 184.0228 7.193977 184.5049 7.548695 184.9871 7.980152 185.4692 8.368805 185.9513 8.698673 186.4334 8.852764 186.9155 8.676540 187.3976 8.272511 187.8798 7.968704 188.3619 7.774315 188.8440 7.681473 189.3261 7.745377 189.8082 7.951122 190.2903 8.095116 190.7725 8.071083 191.2546 7.895016 191.7367 7.638405 192.2188 7.283340 192.7009 6.905758 193.1830 6.598629 193.6652 6.359684 194.1473 6.249996 194.6294 6.408867 195.1115 6.801819 195.5936 6.944210 196.0757 6.748623 196.5579 6.398060 197.0400 6.262821 197.5221 6.363148 198.0042 6.457462 198.4863 6.394726 198.9684 6.172638 199.4506 5.966770 199.9327 5.773056 200.4148 5.624214 200.8969 5.643330 201.3790 5.873009 201.8611 6.045734 202.3433 5.929428 202.8254 5.480827 203.3075 5.286850 203.7896 5.461281 204.2717 5.852333 204.7538 6.074879 205.2360 6.101055 205.7181 6.061710 206.2002 6.039509 206.6823 6.046867 207.1644 5.984402 207.6465 5.834213 208.1287 5.614433 208.6108 5.366440 209.0929 5.080605 209.5750 4.790905 210.0571 4.511963 210.5392 4.232868 211.0214 3.998283 211.5035 3.782856 211.9856 3.624130 212.4677 3.693642 212.9498 4.106750 213.4319 4.493042 213.9140 4.619659 214.3962 4.427071 214.8783 4.185337 215.3604 3.943428 215.8425 3.706970 216.3246 3.487022 216.8067 3.265911 217.2889 3.174980 217.7710 3.237110 218.2531 3.497795 218.7352 3.746532 219.2173 4.004848 219.6994 4.265461 220.1816 4.428848 220.6637 4.425018 221.1458 4.402130 221.6279 4.456734 222.1100 4.655022 222.5921 4.750584 223.0743 4.692753 223.5564 4.516605 224.0385 4.368370 224.5206 4.220139 225.0027 4.149471 225.4848 4.245415 225.9670 4.664463 226.4491 4.852058 226.9312 4.628746 227.4133 4.098972 227.8954 3.986134 228.3775 4.570721 228.8597 5.166679 229.3418 5.304054 229.8239 4.663204 230.3060 4.307972 230.7881 4.414845 231.2702 4.878399 231.7524 5.192402 232.2345 5.270287 232.7166 5.314255 233.1987 5.445019 233.6808 5.716717 234.1629 5.953392 234.6451 6.149223 235.1272 6.302086 235.6093 6.403492 236.0914 6.427643 236.5735 6.435802 237.0556 6.466496 237.5378 6.550293 238.0199 6.587830 238.5020 6.543999 238.9841 6.450127 239.4662 6.446453 239.9483 6.620350 240.4305 6.767612 240.9126 6.752689 241.3947 6.407627 241.8768 6.292091 242.3589 6.579063 242.8410 7.104370 243.3232 7.254204 243.8053 6.777939 244.2874 6.268661 244.7695 6.034630 245.2516 6.194317 245.7337 6.359562 246.2159 6.532158 246.6980 6.699932 247.1801 6.812553 247.6622 6.812866 248.1443 6.843781 248.6264 6.971684 249.1086 7.214699 249.5907 7.523170 250.0728 7.967560 250.5549 8.457581 251.0370 8.766823 251.5191 8.931156 252.0013 8.860065 252.4834 8.461395 252.9655 7.543907 253.4476 6.831455 253.9297 6.449455 254.4118 6.218575 254.8940 5.702190 255.3761 4.746498 255.8582 3.772484 256.3403 2.939129 256.8224 2.238647 257.3046 1.719669 257.7867 1.448338 258.2688 1.319603 258.7509 1.145321 259.2330 0.9402430 259.7151 0.6612170 260.1973 0.2413330 260.6794 0.3934590 261.1615 0.7999690 261.6436 0.9393730 262.1257 0.8806570 262.6078 0.6909140 263.0900 0.2674520 263.5721 3.8017001E-02 264.0542 5.6175001E-02 264.5363 0.2789380 265.0184 0.4456940 265.5005 0.3922770 265.9827 0.2352710 266.4648 0.1298940 266.9469 7.2936997E-02 267.4290 7.9758003E-02 267.9111 0.1749380 268.3932 0.3660770 268.8754 0.5287700 269.3575 0.6857680 269.8396 0.7813220 270.3217 0.7166860 270.8038 0.4479330 271.2859 0.1925320 271.7681 6.8700002E-03 272.2502 0.1094400 272.7323 0.1832580 273.2144 0.2028730 273.6965 0.2007980 274.1786 0.1994090 274.6608 0.1895980 275.1429 0.2352330 275.6250 0.3776400 276.1071 0.5959970 276.5892 0.7091560 277.0714 0.6750640 277.5535 0.6519470 278.0356 0.8478850 278.5177 1.299919 278.9998 1.567764 279.4819 1.483223 279.9641 1.161434 280.4462 1.147491 280.9283 1.508263 281.4104 1.929058 281.8925 2.118389 282.3746 2.069351 282.8568 2.071270 283.3389 2.205151 283.8210 2.411354 284.3031 2.515877 284.7852 2.495804 285.2673 2.474483 285.7495 2.592438 286.2316 2.832077 286.7137 2.884811 287.1958 2.654556 287.6779 2.328876 288.1600 2.339176 288.6422 2.684082 289.1243 2.993103 289.6064 2.938160 290.0885 2.613319 290.5706 2.542877 291.0527 2.843990 291.5349 3.253143 292.0170 3.264099 292.4991 2.916706 292.9812 2.693153 293.4633 2.981628 293.9454 3.620224 294.4276 4.085419 294.9097 4.331089 295.3918 4.492142 295.8739 4.734493 296.3560 5.028057 296.8381 5.280788 297.3203 5.422138 297.8024 5.536140 298.2845 5.832466 298.7666 6.340675 299.2487 6.840981 299.7308 7.065365 300.2130 7.092831 300.6951 7.145237 301.1772 7.234955 301.6593 7.438793 302.1414 7.959209 302.6235 8.787098 303.1057 9.587360 303.5878 9.998650 304.0699 10.21992 304.5520 10.60270 305.0341 11.33614 305.5162 12.21003 305.9984 13.01206 306.4805 13.75126 306.9626 14.54246 307.4447 15.48668 307.9268 16.50421 308.4089 17.50702 308.8911 18.52427 309.3732 19.52376 309.8553 20.42966 310.3374 21.27866 310.8195 22.21594 311.3016 23.25489 311.7838 24.43997 312.2659 25.85609 312.7480 27.59769 313.2301 29.36854 313.7122 30.91978 314.1943 32.38952 314.6765 34.03570 315.1586 35.93391 315.6407 38.06627 316.1228 40.42789 316.6049 42.98810 317.0870 45.86814 317.5692 49.29241 318.0513 53.00939 318.5334 56.63686 319.0155 60.00943 319.4976 63.30927 319.9797 66.77647 320.4619 70.49895 320.9440 73.54532 321.4261 76.07705 321.9082 77.56880 322.3903 77.50244 322.8724 75.68968 323.3546 72.40467 323.8367 67.33224 324.3188 60.53260 324.8009 53.45597 325.2830 45.61749 325.7651 38.07966 326.2473 31.55075 326.7294 26.37048 327.2115 21.88380 327.6936 18.12557 328.1757 15.08039 328.6578 12.46743 329.1400 10.29037 329.6221 8.523132 330.1042 7.155777 330.5863 6.442568 331.0684 5.700426 331.5505 4.873238 332.0327 4.030491 332.5148 3.335793 332.9969 2.821148 333.4790 2.409565 333.9611 2.079586 334.4432 1.849724 334.9254 1.616722 335.4075 1.351315 335.8896 1.108545 336.3717 0.9945390 336.8538 1.106979 337.3359 1.106104 337.8180 0.8421100 338.3001 0.3233660 338.7823 3.6527999E-02 339.2644 6.1806001E-02 339.7465 0.1675780 340.2286 9.2041001E-02 340.7107 0.2182010 341.1928 0.3722570 341.6750 0.2481710 342.1571 7.4786998E-02 342.6392 0.3040730 343.1213 0.4451900 343.6034 0.4773040 344.0855 0.3197040 344.5677 1.4326000E-02 345.0498 0.2217460 345.5319 0.2467460 346.0140 0.1594140 346.4961 5.8630001E-02 346.9782 5.3082000E-02 347.4604 0.1121770 347.9425 3.1505998E-02 348.4246 0.1395030 348.9067 0.2087170 349.3888 0.1555160 349.8709 5.3415000E-02 350.3531 6.7933999E-02 350.8352 0.1793670 351.3173 0.1727160 351.7994 0.1600590 352.2815 0.5868890 352.7636 0.7304740 353.2458 0.5908810 353.7279 0.2670150 354.2100 0.4198460 354.6921 1.195999 355.1742 1.559797 355.6563 1.089228 356.1385 0.4339640 356.6206 0.2178290 357.1027 0.3718510 357.5848 0.5560590 358.0669 0.6191940 358.5490 0.5907100 359.0312 0.4596630 359.5133 0.1185110 359.9954 8.3677001E-02 360.4775 0.2283120 360.9596 0.8269820 361.4417 1.224405 361.9239 1.045340 362.4060 0.7532940 362.8881 0.6248570 363.3702 0.7335490 363.8523 0.7652230 364.3344 0.2407890 364.8166 0.2837490 365.2987 0.1726590 365.7808 1.828808 366.2629 3.371405 366.7450 3.580557 367.2271 2.453411 367.7093 1.619223 368.1914 1.470148 368.6735 1.542643 369.1556 1.534813 369.6377 1.146357 370.1198 1.043762 370.6020 1.436543 371.0841 2.159019 371.5662 2.602932 372.0483 2.566675 372.5304 2.490494 373.0125 2.557661 373.4947 2.825253 373.9768 3.075315 374.4589 3.321815 374.9410 3.542473 375.4231 3.666550 375.9052 3.614475 376.3874 3.697071 376.8695 4.045721 377.3516 4.657888 377.8337 5.159483 378.3158 5.512285 378.7979 5.880512 379.2801 6.488960 379.7622 7.362629 380.2443 8.035587 380.7264 8.373997 381.2085 8.499640 381.6906 8.746021 382.1728 9.114048 382.6549 9.479946 383.1370 9.818134 383.6191 10.09478 384.1012 10.11422 384.5833 9.800081 385.0655 9.418060 385.5476 9.313812 386.0297 9.440903 386.5118 9.639009 386.9939 9.738491 387.4760 9.901848 387.9582 10.41967 388.4403 11.30437 388.9224 12.26601 389.4045 13.03936 389.8866 13.74040 390.3687 14.54372 390.8509 15.56611 391.3330 16.63178 391.8151 17.65917 392.2972 18.64078 392.7793 19.56341 393.2614 20.55054 393.7436 21.38971 394.2257 21.92578 394.7078 22.04082 395.1899 22.05886 395.6720 22.29927 396.1541 22.47235 396.6363 22.11863 397.1184 20.83599 397.6005 19.30879 398.0826 17.72543 398.5647 16.08322 399.0468 14.36701 399.5290 12.32377 400.0111 10.38713 400.4932 8.882175 400.9753 8.071373 401.4574 7.325809 401.9395 6.598253 402.4217 5.883759 402.9038 5.223454 403.3859 4.626434 403.8680 4.105852 404.3501 3.676762 404.8322 3.373636 405.3144 3.028673 405.7965 2.567181 406.2786 2.134617 406.7607 2.036486 407.2428 2.348532 407.7249 2.636368 408.2071 2.758423 408.6892 2.730785 409.1713 2.637014 409.6534 2.454895 410.1355 2.260788 410.6176 2.102451 411.0998 1.999912 411.5819 2.038235 412.0640 2.306620 412.5461 2.612343 413.0282 2.623360 413.5103 2.389149 413.9925 2.189064 414.4746 2.232502 414.9567 2.407639 415.4388 2.515566 415.9209 2.532600 416.4030 2.541664 416.8852 2.646540 417.3673 2.786306 417.8494 2.855171 418.3315 2.821684 418.8136 2.753370 419.2957 2.643835 419.7779 2.509066 420.2600 2.450750 420.7421 2.652271 421.2242 2.868757 421.7063 2.903091 422.1884 2.604900 422.6706 2.306713 423.1527 2.145508 423.6348 2.093372 424.1169 2.029156 424.5990 1.980900 425.0811 1.877453 425.5633 1.626842 426.0454 1.169254 426.5275 0.9933550 427.0096 1.310448 427.4917 1.739910 427.9738 1.964741 428.4560 1.879452 428.9381 1.804539 429.4202 1.759727 429.9023 1.752319 430.3844 1.803501 430.8665 1.906235 431.3487 2.087704 431.8308 2.411785 432.3129 2.891502 432.7950 3.177452 433.2771 3.195950 433.7592 3.208374 434.2414 3.655388 434.7235 4.490852 435.2056 5.138016 435.6877 5.311954 436.1698 5.254818 436.6519 5.526077 437.1341 6.108685 437.6162 6.678223 438.0983 6.871655 438.5804 6.923737 439.0625 7.299721 439.5446 8.171204 440.0268 9.049980 440.5089 9.380363 440.9910 9.401550 441.4731 9.596920 441.9552 10.45382 442.4373 11.34441 442.9195 11.89590 443.4016 12.09596 443.8837 12.10126 444.3658 11.80813 444.8479 11.43808 445.3300 11.17533 445.8122 11.31758 446.2943 11.22226 446.7764 10.60333 447.2585 9.662430 447.7406 8.916210 448.2227 8.630543 448.7049 8.313648 449.1870 7.828335 449.6691 7.166729 450.1512 6.388481 450.6333 5.360374 451.1154 4.371204 451.5976 3.744293 452.0797 3.630692 452.5618 3.374577 453.0439 2.786987 453.5260 2.041359 454.0081 1.676620 454.4903 1.738209 454.9724 1.882534 455.4545 1.978539 455.9366 2.012184 456.4187 1.836994 456.9008 1.415287 457.3830 0.9724040 457.8651 0.8045880 458.3472 0.8424000 458.8293 0.8693810 459.3114 0.7874370 459.7935 0.6871490 460.2757 0.7220380 460.7578 0.8586690 461.2399 0.9302480 461.7220 0.7222100 462.2041 0.4611850 462.6862 0.4013330 463.1684 0.6349600 463.6505 0.8166920 464.1326 0.6984630 464.6147 0.4453540 465.0968 0.2685810 465.5789 0.4104080 466.0611 0.4602360 466.5432 0.1890560 467.0253 0.3588330 467.5074 0.6842590 467.9895 0.5949400 468.4716 0.3772930 468.9538 0.1448710 469.4359 0.1869580 469.9180 0.3292160 470.4001 0.1622280 470.8822 0.1113360 471.3643 0.1628190 471.8465 0.1072580 472.3286 0.3091770 472.8107 0.3382150 473.2928 0.2157330 473.7749 8.4880004E-03 474.2570 0.3219110 474.7392 0.5277980 475.2213 0.3315350 475.7034 0.1976430 476.1855 0.5835490 476.6676 0.7670630 477.1497 0.8343010 477.6319 0.8867230 478.1140 0.9167180 478.5961 0.8963660 479.0782 0.7211070 479.5603 0.5464290 480.0424 0.5998310 480.5246 0.8535610 481.0067 1.078285 481.4888 1.070698 481.9709 1.002377 482.4530 1.033428 482.9352 1.235439 483.4173 1.434872 483.8994 1.581566 484.3815 1.678650 484.8636 1.729683 485.3457 1.594738 485.8279 1.557697 486.3100 1.786900 486.7921 2.282055 487.2742 2.524364 487.7563 2.311287 488.2384 2.054440 488.7206 2.006958 489.2027 2.320351 489.6848 2.410721 490.1669 2.158714 490.6490 1.804276 491.1311 1.774441 491.6133 2.129204 492.0954 2.388367 492.5775 2.355476 493.0596 2.128220 493.5417 2.061768 494.0238 2.161377 494.5060 2.359398 494.9881 2.673843 495.4702 3.021435 495.9523 3.228462 496.4344 3.256676 496.9165 3.240025 497.3987 3.221481 497.8808 3.219879 498.3629 3.297352 498.8450 3.557037 499.3271 3.850033 499.8092 4.132545 500.2914 4.388214 500.7735 4.506577 501.2556 4.261898 501.7377 4.019569 502.2198 4.004402 502.7019 4.318638 503.1841 4.581852 503.6662 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