#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:00:41 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1025 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000480.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_1000480 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 R050368 _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 R050368.rod _rod_data_source.block 3500000 _rod_database.code 1000480 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 118.8699 0.0000000E+00 119.3521 0.2064670 119.8342 0.3155980 120.3163 4.069214 120.7984 8.647430 121.2805 12.76019 121.7626 16.55328 122.2448 20.38725 122.7269 25.31705 123.2090 29.84686 123.6911 32.25377 124.1732 32.05469 124.6553 31.07690 125.1375 30.58194 125.6196 30.54440 126.1017 30.94641 126.5838 31.65941 127.0659 32.81453 127.5480 34.75418 128.0302 37.71571 128.5123 41.10661 128.9944 44.34935 129.4765 47.45210 129.9586 50.29439 130.4407 52.64528 130.9229 54.68651 131.4050 57.04880 131.8871 59.75711 132.3692 62.90402 132.8513 66.82874 133.3334 71.14328 133.8156 74.33878 134.2977 76.05693 134.7798 77.32401 135.2619 78.82336 135.7440 80.69899 136.2261 82.93875 136.7083 85.72633 137.1904 89.39334 137.6725 92.79367 138.1546 95.68243 138.6367 98.59140 139.1188 100.5490 139.6010 100.6397 140.0831 98.38339 140.5652 93.07739 141.0473 85.38446 141.5294 76.66711 142.0115 68.92499 142.4937 60.46779 142.9758 53.01668 143.4579 47.46121 143.9400 44.14320 144.4221 40.99493 144.9042 38.12288 145.3864 35.33620 145.8685 32.37157 146.3506 29.08727 146.8327 25.77504 147.3148 22.46548 147.7969 19.06982 148.2791 15.89804 148.7612 12.64177 149.2433 9.637222 149.7254 7.636337 150.2075 7.129791 150.6896 7.202805 151.1718 7.608994 151.6539 9.564621 152.1360 10.10744 152.6181 7.911560 153.1002 4.075729 153.5823 1.892700 154.0645 3.356293 154.5466 5.203217 155.0287 5.918167 155.5108 4.598984 155.9929 3.050049 156.4750 1.430557 156.9572 0.2409210 157.4393 1.848572 157.9214 3.727600 158.4035 5.341599 158.8856 6.363663 159.3677 6.591537 159.8499 6.359161 160.3320 5.735382 160.8141 4.728973 161.2962 3.347260 161.7783 0.8216710 162.2604 1.711517 162.7426 3.315811 163.2247 3.414948 163.7068 2.802155 164.1889 1.253708 164.6710 1.093445 165.1531 2.574112 165.6353 1.526382 166.1174 0.5290990 166.5995 1.955276 167.0816 1.703522 167.5637 1.110901 168.0458 0.8389740 168.5280 1.085815 169.0101 1.537415 169.4922 2.012772 169.9743 2.565552 170.4564 3.265747 170.9385 4.470047 171.4207 5.635315 171.9028 6.100967 172.3849 5.803085 172.8670 5.647415 173.3491 6.791428 173.8312 8.567200 174.3134 9.698944 174.7955 9.057953 175.2776 7.696289 175.7597 6.770630 176.2418 6.335098 176.7239 6.329636 177.2061 6.811432 177.6882 7.687180 178.1703 8.592361 178.6524 9.486115 179.1345 10.27666 179.6166 10.71919 180.0988 10.74765 180.5809 10.72760 181.0630 10.99895 181.5451 11.55464 182.0272 12.35825 182.5093 13.66724 182.9915 15.20708 183.4736 16.17094 183.9557 16.38507 184.4378 16.48688 184.9199 17.72769 185.4020 19.86870 185.8842 21.37616 186.3663 20.96379 186.8484 19.13744 187.3305 17.71690 187.8126 16.83604 188.2947 16.35896 188.7769 16.10596 189.2590 16.07539 189.7411 16.22414 190.2232 16.54094 190.7053 17.02255 191.1874 17.72096 191.6696 18.75531 192.1517 19.80745 192.6338 20.26122 193.1159 20.10388 193.5980 19.72687 194.0801 19.21460 194.5623 18.59700 195.0444 18.32133 195.5265 18.47931 196.0086 18.91975 196.4907 19.58211 196.9728 20.56645 197.4550 20.91217 197.9371 19.65247 198.4192 16.75769 198.9013 14.55966 199.3834 13.34734 199.8655 12.84737 200.3477 12.49532 200.8298 12.33986 201.3119 12.12161 201.7940 11.55690 202.2761 10.57881 202.7582 10.06647 203.2404 10.23734 203.7225 10.81912 204.2046 11.07877 204.6867 10.99591 205.1688 10.68188 205.6509 10.15891 206.1331 9.378403 206.6152 8.751907 207.0973 8.438751 207.5794 8.230560 208.0615 7.326065 208.5436 5.366730 209.0258 3.653473 209.5079 3.242630 209.9900 4.563538 210.4721 5.109421 210.9542 4.439865 211.4363 2.932098 211.9185 1.907104 212.4006 1.474335 212.8827 1.253860 213.3648 1.109924 213.8469 1.172470 214.3290 0.7111510 214.8112 0.8559270 215.2933 2.973770 215.7754 3.432419 216.2575 1.471405 216.7396 0.8011630 217.2217 2.185013 217.7038 2.523148 218.1860 2.525681 218.6681 1.994186 219.1502 1.243378 219.6323 1.569778 220.1144 3.531723 220.5965 5.342987 221.0787 5.854324 221.5608 4.304291 222.0429 3.554703 222.5250 3.862183 223.0071 4.985443 223.4892 6.200989 223.9714 7.767838 224.4535 9.059982 224.9356 9.679718 225.4177 9.090485 225.8998 9.188629 226.3819 10.49663 226.8641 12.51068 227.3462 13.32991 227.8283 12.16011 228.3104 11.00449 228.7925 10.93439 229.2746 12.42714 229.7568 13.94205 230.2389 15.44524 230.7210 16.94261 231.2031 18.42064 231.6852 19.92589 232.1673 21.33841 232.6495 22.50690 233.1316 23.03084 233.6137 24.25464 234.0958 26.55510 234.5779 29.48889 235.0600 31.77626 235.5422 33.26305 236.0243 34.36433 236.5064 35.21404 236.9885 35.60509 237.4706 36.25658 237.9527 37.52542 238.4349 38.95056 238.9170 39.30450 239.3991 38.07635 239.8812 36.53897 240.3633 35.16902 240.8454 33.91064 241.3276 33.00729 241.8097 32.77963 242.2918 32.80011 242.7739 31.95837 243.2560 29.16087 243.7381 27.19930 244.2203 27.36182 244.7024 30.71217 245.1845 33.15182 245.6666 34.25818 246.1487 34.65332 246.6308 35.52692 247.1130 36.94711 247.5951 38.74046 248.0772 40.80373 248.5593 43.07524 249.0414 45.94824 249.5235 49.89946 250.0057 54.14368 250.4878 57.52055 250.9699 60.10481 251.4520 61.70288 251.9341 62.40990 252.4162 62.47855 252.8984 60.36038 253.3805 55.44507 253.8626 48.75905 254.3447 41.79823 254.8268 34.01602 255.3089 26.85185 255.7911 20.75577 256.2732 15.72319 256.7553 11.50621 257.2374 8.101273 257.7195 5.509262 258.2017 3.786942 258.6838 3.152588 259.1659 2.883087 259.6480 2.992935 260.1301 3.523071 260.6122 3.245010 261.0944 1.675171 261.5765 0.1061100 262.0586 0.8600010 262.5407 0.1600800 263.0228 0.3763430 263.5049 0.2920530 263.9871 0.3723450 264.4692 0.5360870 264.9513 2.9343000E-02 265.4334 0.7037810 265.9155 1.231079 266.3976 1.422516 266.8798 1.838120 267.3619 2.675064 267.8440 3.855835 268.3261 4.612274 268.8082 4.715225 269.2903 4.870636 269.7725 5.820465 270.2546 7.849716 270.7367 9.272629 271.2188 9.690063 271.7009 9.342270 272.1830 9.235535 272.6652 9.392883 273.1473 9.591049 273.6294 9.861206 274.1115 10.36029 274.5936 10.58681 275.0757 10.38982 275.5579 9.907013 276.0400 9.474365 276.5221 9.043930 277.0042 8.847672 277.4863 9.127182 277.9684 9.930038 278.4506 10.52855 278.9327 10.78888 279.4148 10.91345 279.8969 11.38075 280.3790 12.24530 280.8611 13.08720 281.3433 13.59145 281.8254 13.76595 282.3075 14.34247 282.7896 15.46188 283.2717 16.75134 283.7538 17.63603 284.2360 18.10634 284.7181 18.35332 285.2002 18.29320 285.6823 17.99966 286.1644 18.08890 286.6465 18.60091 287.1287 19.37416 287.6108 20.17175 288.0929 21.00079 288.5750 22.15768 289.0571 24.13524 289.5392 26.56064 290.0214 27.81538 290.5035 27.79584 290.9856 27.33629 291.4677 27.06122 291.9498 27.01427 292.4319 27.46649 292.9141 28.54985 293.3962 30.15350 293.8783 32.17946 294.3604 34.62596 294.8425 37.05022 295.3246 38.84100 295.8068 40.29639 296.2889 42.36469 296.7710 45.42325 297.2531 49.11377 297.7352 52.97836 298.2173 56.95782 298.6995 60.75552 299.1816 63.41229 299.6637 65.76930 300.1458 69.64066 300.6279 75.57394 301.1100 82.60161 301.5922 89.69838 302.0743 96.86862 302.5564 104.1552 303.0385 111.5358 303.5206 119.1016 304.0027 127.2785 304.4849 136.1912 304.9670 145.0801 305.4491 153.3150 305.9312 160.8949 306.4133 167.8217 306.8954 173.1069 307.3776 178.2793 307.8597 185.1823 308.3418 194.1698 308.8239 202.9184 309.3060 209.1001 309.7881 214.0850 310.2703 219.8317 310.7524 226.9253 311.2345 235.3000 311.7166 245.0649 312.1987 256.1878 312.6808 267.8823 313.1630 279.5729 313.6451 291.7579 314.1272 305.0661 314.6093 318.8219 315.0914 334.3801 315.5735 352.1725 316.0557 372.1739 316.5378 394.2757 317.0199 419.1485 317.5020 445.5705 317.9841 473.1876 318.4662 502.3522 318.9484 531.1885 319.4305 562.2689 319.9126 592.8650 320.3947 615.8283 320.8768 633.0995 321.3589 639.1905 321.8411 631.3817 322.3232 608.9600 322.8053 573.7087 323.2874 518.8389 323.7695 452.6254 324.2516 388.1726 324.7338 322.4839 325.2159 263.4384 325.6980 213.6784 326.1801 173.8425 326.6622 140.3406 327.1443 113.9980 327.6265 93.10852 328.1086 75.94742 328.5907 64.33893 329.0728 54.53445 329.5549 46.27713 330.0370 39.54762 330.5192 33.57788 331.0013 28.17325 331.4834 23.64516 331.9655 20.23055 332.4476 18.64441 332.9297 16.94565 333.4119 15.01222 333.8940 12.85355 334.3761 10.41801 334.8582 7.279480 335.3403 4.616577 335.8224 3.125839 336.3046 3.196442 336.7867 3.306168 337.2688 3.521683 337.7509 3.685532 338.2330 3.422195 338.7151 2.603348 339.1973 1.766846 339.6794 1.114975 340.1615 0.6631470 340.6436 0.2044070 341.1257 0.2832490 341.6078 0.7104800 342.0899 0.8899540 342.5721 0.7864690 343.0542 0.8461910 343.5363 1.354263 344.0184 2.113480 344.5005 2.122726 344.9826 1.284958 345.4648 0.3977970 345.9469 0.3002930 346.4290 0.8847960 346.9111 1.299911 347.3932 1.364807 347.8753 1.213623 348.3575 1.059799 348.8396 0.9086300 349.3217 0.7789000 349.8038 0.7228550 350.2859 0.7019960 350.7680 0.6142120 351.2502 0.4428860 351.7323 0.2297970 352.2144 8.6868003E-02 352.6965 0.4301760 353.1786 0.5592650 353.6607 0.3267210 354.1429 0.1694340 354.6250 0.9545750 355.1071 2.041000 355.5892 2.911316 356.0713 3.011703 356.5534 2.667999 357.0356 2.367035 357.5177 2.570145 357.9998 2.634857 358.4819 2.008011 358.9640 0.7828830 359.4461 0.5128020 359.9283 1.782257 360.4104 2.906769 360.8925 3.745941 361.3746 4.034851 361.8567 4.434967 362.3388 5.508820 362.8210 6.891525 363.3031 7.784027 363.7852 7.016556 364.2673 6.436005 364.7494 7.091843 365.2315 9.536697 365.7137 11.58197 366.1958 12.35670 366.6779 12.64505 367.1600 13.37686 367.6421 15.05353 368.1242 16.77000 368.6064 18.28394 369.0885 19.57971 369.5706 21.12845 370.0527 22.93271 370.5348 24.99744 371.0169 27.36900 371.4991 30.16769 371.9812 33.01863 372.4633 35.81174 372.9454 38.65790 373.4275 41.81229 373.9096 45.09013 374.3918 49.07091 374.8739 53.96175 375.3560 59.89555 375.8381 66.33510 376.3202 73.13681 376.8023 80.52759 377.2845 89.05002 377.7666 98.83897 378.2487 108.6774 378.7308 118.0380 379.2129 127.0473 379.6950 135.6539 380.1772 143.9122 380.6593 151.8525 381.1414 160.1053 381.6235 168.4093 382.1056 174.7753 382.5877 178.1171 383.0699 180.1521 383.5520 184.2928 384.0341 190.3819 384.5162 196.4132 384.9983 199.6959 385.4804 202.2430 385.9626 208.7295 386.4447 219.9446 386.9268 233.3165 387.4089 246.2962 387.8910 259.4791 388.3731 273.9082 388.8553 290.1768 389.3374 307.8625 389.8195 326.3894 390.3016 345.5356 390.7837 365.9738 391.2658 389.7364 391.7480 414.0712 392.2301 436.2735 392.7122 456.5772 393.1943 473.2787 393.6764 486.3658 394.1585 495.2485 394.6407 498.0447 395.1228 496.0616 395.6049 486.5117 396.0870 466.8807 396.5691 434.6351 397.0512 399.9190 397.5334 362.4775 398.0155 324.1374 398.4976 287.6803 398.9797 251.3292 399.4618 218.6943 399.9439 190.6900 400.4261 167.3206 400.9082 146.4652 401.3903 128.0340 401.8724 112.1216 402.3545 98.98334 402.8366 89.75317 403.3188 81.29065 403.8009 73.35886 404.2830 66.00771 404.7651 59.45053 405.2472 53.76559 405.7293 48.92900 406.2115 45.08624 406.6936 42.29370 407.1757 39.47731 407.6578 36.46480 408.1399 33.86235 408.6220 32.69205 409.1042 33.00969 409.5863 32.89830 410.0684 31.31296 410.5505 29.05132 411.0326 28.13177 411.5147 28.50011 411.9969 28.81813 412.4790 27.71454 412.9611 25.84064 413.4432 24.99251 413.9253 25.69972 414.4074 26.76106 414.8896 27.00639 415.3717 26.57983 415.8538 25.82974 416.3359 24.48244 416.8180 23.19006 417.3001 22.61876 417.7823 22.71555 418.2644 22.94069 418.7465 23.01309 419.2286 23.04565 419.7107 23.17439 420.1928 23.86060 420.6750 24.08340 421.1571 23.28003 421.6392 21.69258 422.1213 19.98306 422.6034 17.75008 423.0855 15.94032 423.5677 14.96683 424.0498 15.02115 424.5319 15.37593 425.0140 16.56184 425.4961 17.75601 425.9782 18.08803 426.4604 16.56360 426.9425 15.65041 427.4246 15.86266 427.9067 17.04199 428.3888 18.03316 428.8709 18.69931 429.3531 19.41670 429.8352 20.48326 430.3173 22.00911 430.7994 23.17238 431.2815 23.81087 431.7636 24.29620 432.2458 25.27722 432.7279 26.78461 433.2100 28.21350 433.6921 29.24736 434.1742 30.05501 434.6563 31.03586 435.1385 32.18114 435.6206 34.02962 436.1027 37.63899 436.5848 42.33585 437.0669 46.26598 437.5490 49.01164 438.0312 51.09329 438.5133 52.71295 438.9954 54.12993 439.4775 56.05916 439.9596 59.40184 440.4417 63.08899 440.9239 66.10690 441.4060 68.39960 441.8881 70.66937 442.3702 74.01555 442.8523 77.18384 443.3344 78.98660 443.8166 78.59631 444.2987 77.38907 444.7808 75.40573 445.2629 72.87183 445.7450 70.43481 446.2271 68.73410 446.7093 66.75783 447.1914 63.93152 447.6735 59.70782 448.1556 56.42650 448.6377 55.28535 449.1198 54.31148 449.6020 51.34138 450.0841 45.22488 450.5662 39.64594 451.0483 35.18040 451.5304 31.65964 452.0125 28.48505 452.4947 25.69960 452.9768 23.04836 453.4589 20.25034 453.9410 17.26974 454.4231 14.92299 454.9052 13.24605 455.3874 12.02545 455.8695 11.05734 456.3516 10.31599 456.8337 9.657654 457.3158 9.094727 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