#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:38:08 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1201 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000615.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_1000615 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 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 R050368.rod _rod_data_source.block 3500000 _rod_database.code 1000615 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 115.6650 0.0000000E+00 116.1471 0.8965300 116.6293 6.8236999E-02 117.1114 6.4254999E-02 117.5935 1.407501 118.0756 2.897568 118.5577 3.892700 119.0398 4.612915 119.5220 5.650192 120.0041 7.442078 120.4862 9.519867 120.9683 10.80629 121.4504 10.76347 121.9325 10.87099 122.4147 12.71538 122.8968 16.46826 123.3789 19.59451 123.8610 20.12073 124.3431 19.59210 124.8252 19.33678 125.3074 19.69641 125.7895 20.59879 126.2716 21.94812 126.7537 23.92834 127.2358 26.02882 127.7179 28.15877 128.2001 30.18597 128.6822 31.94737 129.1643 33.30971 129.6464 34.28674 130.1285 35.27684 130.6106 35.84100 131.0928 36.90564 131.5749 39.19859 132.0570 42.32959 132.5391 45.46152 133.0212 47.86708 133.5033 49.38690 133.9855 51.22252 134.4676 53.60321 134.9497 56.17557 135.4318 58.95590 135.9139 62.18761 136.3960 65.60886 136.8782 69.03630 137.3603 72.45863 137.8424 76.17107 138.3245 80.37051 138.8066 83.45261 139.2887 84.26204 139.7709 82.33766 140.2530 78.52501 140.7351 73.17833 141.2172 66.47360 141.6993 60.09438 142.1814 53.33519 142.6636 46.58955 143.1457 41.02898 143.6278 37.29015 144.1099 34.51796 144.5920 31.92072 145.0741 29.43344 145.5563 26.96129 146.0384 24.32877 146.5205 21.48462 147.0026 18.72513 147.4847 16.02550 147.9668 13.52696 148.4490 11.40173 148.9311 9.761108 149.4132 8.323547 149.8953 6.705811 150.3774 4.488052 150.8595 3.050888 151.3417 2.826614 151.8238 3.096039 152.3059 3.359055 152.7880 3.460663 153.2701 3.358032 153.7522 3.007187 154.2344 2.212097 154.7165 1.376740 155.1986 0.4010160 155.6807 0.5948490 156.1628 1.419113 156.6449 1.966797 157.1271 2.307678 157.6092 2.716309 158.0913 3.317520 158.5734 3.805496 159.0555 4.345306 159.5376 4.784531 160.0198 4.585739 160.5019 3.241425 160.9840 1.112518 161.4661 0.3606570 161.9482 0.8561250 162.4303 1.085007 162.9125 1.518311 163.3946 2.130127 163.8767 2.542252 164.3588 2.361847 164.8409 1.876160 165.3230 1.609589 165.8052 1.872055 166.2873 2.140244 166.7694 1.523392 167.2515 0.4224240 167.7336 1.611984 168.2157 0.3101810 168.6979 2.091980 169.1800 4.001755 169.6621 4.671432 170.1442 4.470612 170.6263 4.455307 171.1084 4.870132 171.5906 5.069397 172.0727 4.654922 172.5548 3.966278 173.0369 3.505081 173.5190 3.977859 174.0011 4.930283 174.4833 5.510498 174.9654 5.147659 175.4475 4.980347 175.9296 5.177719 176.4117 5.747986 176.8938 6.719070 177.3760 8.183548 177.8581 10.16974 178.3402 11.50662 178.8223 11.34889 179.3044 11.43709 179.7865 12.86441 180.2687 15.19531 180.7508 16.99377 181.2329 16.88164 181.7150 14.60349 182.1971 13.69901 182.6792 14.94765 183.1614 16.69188 183.6435 18.23409 184.1256 19.45077 184.6077 20.26556 185.0898 20.63866 185.5719 20.49100 186.0540 19.73537 186.5362 17.38042 187.0183 14.98396 187.5004 14.28794 187.9825 15.55022 188.4646 17.04139 188.9467 16.92258 189.4289 15.61541 189.9110 14.83717 190.3931 15.33135 190.8752 16.47070 191.3573 17.38861 191.8394 18.10028 192.3216 18.35930 192.8037 17.62953 193.2858 16.29587 193.7679 15.22730 194.2500 14.83691 194.7321 15.01407 195.2143 15.48080 195.6964 16.55835 196.1785 17.40363 196.6606 17.55925 197.1427 17.18453 197.6248 16.61818 198.1070 16.03912 198.5891 15.44576 199.0712 14.83042 199.5533 14.27277 200.0354 13.58438 200.5175 12.43667 200.9997 11.08929 201.4818 10.11115 201.9639 10.03769 202.4460 10.89440 202.9281 11.56520 203.4102 12.10856 203.8924 12.38506 204.3745 12.22118 204.8566 11.71555 205.3387 11.09744 205.8208 10.54423 206.3029 10.04332 206.7851 9.738831 207.2672 9.964401 207.7493 10.05403 208.2314 9.492592 208.7135 8.474579 209.1956 7.709366 209.6778 7.906364 210.1599 9.256226 210.6420 10.05495 211.1241 10.29744 211.6062 10.11178 212.0883 9.311729 212.5705 8.029091 213.0526 6.755173 213.5347 5.928864 214.0168 5.633545 214.4989 5.312408 214.9810 4.509331 215.4632 4.038651 215.9453 4.836029 216.4274 6.817993 216.9095 8.536758 217.3916 8.672462 217.8737 7.186478 218.3559 6.027779 218.8380 4.789268 219.3201 4.201485 219.8022 5.460129 220.2843 8.641006 220.7664 11.32520 221.2486 11.05933 221.7307 8.520752 222.2128 6.730560 222.6949 6.369820 223.1770 6.813843 223.6591 7.456047 224.1413 8.287399 224.6234 9.237717 225.1055 10.48819 225.5876 11.74213 226.0697 12.55736 226.5518 12.40128 227.0340 11.83264 227.5161 11.72875 227.9982 12.17345 228.4803 12.76514 228.9624 13.18950 229.4445 13.62701 229.9267 14.34937 230.4088 15.48168 230.8909 16.92591 231.3730 18.57378 231.8551 20.59741 232.3372 22.38017 232.8194 23.36787 233.3015 24.09395 233.7836 25.29868 234.2657 27.48457 234.7478 30.01046 235.2299 31.34098 235.7121 30.93069 236.1942 30.37943 236.6763 29.94846 237.1584 29.72090 237.6405 29.83649 238.1227 30.38550 238.6048 31.20540 239.0869 31.89661 239.5690 32.47178 240.0511 32.85355 240.5332 33.12143 241.0154 33.20264 241.4975 32.89421 241.9796 32.10227 242.4617 31.14000 242.9438 30.79523 243.4259 31.25864 243.9081 32.13277 244.3902 33.53765 244.8723 35.18750 245.3544 36.78312 245.8365 38.22730 246.3186 39.69051 246.8007 41.59975 247.2829 44.35995 247.7650 46.99237 248.2471 48.96065 248.7292 51.03935 249.2113 54.05508 249.6934 58.26159 250.1756 63.12567 250.6577 67.66956 251.1398 72.54806 251.6219 75.92218 252.1040 78.93459 252.5861 79.92458 253.0683 76.84747 253.5504 69.27258 254.0325 59.06448 254.5146 49.13309 254.9967 39.09642 255.4788 30.36768 255.9610 22.80037 256.4431 16.62769 256.9252 12.27568 257.4073 9.779633 257.8894 8.437309 258.3716 7.367554 258.8537 6.721596 259.3358 5.981689 259.8179 5.112221 260.3000 4.178291 260.7821 3.102531 261.2643 1.898300 261.7464 0.9119720 262.2285 0.5581510 262.7106 1.002754 263.1927 1.403557 263.6748 2.012054 264.1570 2.403915 264.6391 1.934235 265.1212 0.6065900 265.6033 0.5461120 266.0854 0.4748000 266.5675 0.9081730 267.0497 2.075294 267.5318 3.198318 268.0139 3.960808 268.4960 3.861847 268.9781 2.929298 269.4602 2.029602 269.9424 1.743408 270.4245 2.099533 270.9066 2.790154 271.3887 4.135010 271.8708 5.578209 272.3529 6.821304 272.8351 7.841927 273.3172 8.461235 273.7993 8.512314 274.2814 8.057861 274.7635 7.449661 275.2456 6.431580 275.7278 5.538979 276.2099 5.167877 276.6920 5.280479 277.1741 5.630486 277.6562 6.326019 278.1383 7.046196 278.6204 7.187569 279.1025 6.429329 279.5847 5.737328 280.0668 5.667458 280.5489 6.203583 281.0310 7.192238 281.5131 8.769058 281.9952 10.56930 282.4774 12.15466 282.9595 13.59393 283.4416 14.66379 283.9237 15.18498 284.4058 15.23282 284.8879 14.94432 285.3701 14.08111 285.8522 13.24083 286.3343 13.09237 286.8164 13.60096 287.2985 14.18137 287.7806 14.48664 288.2628 14.62065 288.7449 14.95016 289.2270 15.62592 289.7091 16.25405 290.1912 16.41820 290.6733 16.26016 291.1555 16.26719 291.6376 16.77759 292.1197 17.62814 292.6018 18.32928 293.0839 18.63001 293.5660 19.22697 294.0482 20.89800 294.5303 23.16008 295.0124 25.13704 295.4945 26.09410 295.9766 26.68750 296.4587 28.42436 296.9409 31.84032 297.4230 34.90030 297.9051 36.11827 298.3872 36.52205 298.8693 37.20149 299.3514 38.32207 299.8336 40.04479 300.3157 42.84527 300.7978 46.95000 301.2799 51.10820 301.7620 55.02307 302.2441 58.69168 302.7263 62.05904 303.2084 65.08664 303.6905 67.99005 304.1726 70.99746 304.6547 74.10931 305.1368 77.25900 305.6190 80.69287 306.1011 83.94309 306.5832 86.59727 307.0653 88.64097 307.5474 90.46155 308.0295 91.92474 308.5117 93.15068 308.9938 95.77286 309.4759 100.7882 309.9580 106.3929 310.4401 111.2141 310.9222 115.4610 311.4044 120.0193 311.8865 125.5329 312.3686 131.8135 312.8507 138.0257 313.3328 143.6910 313.8149 150.1631 314.2971 158.1185 314.7792 167.3135 315.2613 177.4266 315.7434 188.4987 316.2255 200.3307 316.7076 212.1590 317.1898 223.3838 317.6719 236.6592 318.1540 255.2331 318.6361 275.6491 319.1182 294.5594 319.6003 311.3771 320.0825 325.5155 320.5646 337.4351 321.0467 347.9885 321.5288 350.8911 322.0109 342.6017 322.4930 326.0880 322.9752 301.6310 323.4573 269.1985 323.9394 233.8839 324.4215 198.7540 324.9036 164.0659 325.3857 133.2315 325.8679 106.9224 326.3500 85.29230 326.8321 68.61834 327.3142 56.47537 327.7963 46.74995 328.2784 38.36751 328.7606 31.32505 329.2427 25.58488 329.7248 21.41640 330.2069 18.19548 330.6890 15.80885 331.1711 13.97087 331.6533 12.05094 332.1354 9.483788 332.6175 6.799080 333.0996 5.255005 333.5817 5.224632 334.0638 5.104599 334.5460 3.885910 335.0281 2.197060 335.5102 0.6341480 335.9923 0.7780380 336.4744 1.751396 336.9565 1.692329 337.4387 0.5191350 337.9208 0.2709270 338.4029 0.2314830 338.8850 1.031807 339.3671 1.051544 339.8492 0.1520310 340.3314 0.7208400 340.8135 0.7738110 341.2956 0.1348340 341.7777 0.4071730 342.2598 0.7277600 342.7419 0.8906630 343.2241 0.9174800 343.7062 0.8350980 344.1883 0.7749100 344.6704 0.8022160 345.1525 0.8947070 345.6346 1.054108 346.1168 1.345695 346.5989 1.493774 347.0810 1.069832 347.5631 0.3786160 348.0452 4.0268000E-02 348.5273 5.2870000E-03 349.0095 0.3184890 349.4916 0.9067080 349.9737 1.769333 350.4558 2.327080 350.9379 2.141129 351.4200 1.570358 351.9022 1.265564 352.3843 1.397240 352.8664 1.398293 353.3485 0.5228880 353.8306 0.8930130 354.3127 1.373306 354.7949 0.1438220 355.2770 1.549408 355.7591 2.158859 356.2412 1.738632 356.7233 0.9801480 357.2054 0.1278460 357.6876 1.340744 358.1697 2.293144 358.6518 2.939392 359.1339 3.308807 359.6160 3.244690 360.0981 2.863907 360.5803 2.805893 361.0624 3.367950 361.5445 4.115288 362.0266 4.678558 362.5087 5.081131 362.9908 5.554626 363.4730 6.236755 363.9551 7.078300 364.4372 7.946655 364.9193 9.019760 365.4014 9.828728 365.8835 9.916847 366.3657 9.626320 366.8478 9.625351 367.3299 10.12634 367.8120 11.02148 368.2941 12.26459 368.7762 13.99445 369.2584 15.43299 369.7405 16.09069 370.2226 16.62707 370.7047 17.64051 371.1868 19.22212 371.6689 21.18353 372.1511 23.38129 372.6332 25.83744 373.1153 28.55106 373.5974 31.83098 374.0795 35.06238 374.5616 37.50826 375.0438 39.64333 375.5259 42.83199 376.0080 47.91673 376.4901 54.29128 376.9722 59.78775 377.4543 63.33469 377.9365 67.38347 378.4186 72.46716 378.9007 78.05021 379.3828 83.74615 379.8649 89.38732 380.3470 94.58515 380.8292 98.78353 381.3113 101.8053 381.7934 104.2430 382.2755 105.8681 382.7576 107.1974 383.2397 108.2496 383.7219 109.2229 384.2040 110.4310 384.6861 112.0039 385.1682 114.0175 385.6503 117.7070 386.1324 124.6426 386.6146 131.5990 387.0967 137.2787 387.5788 142.8830 388.0609 149.9678 388.5430 159.1752 389.0251 170.0542 389.5073 181.8530 389.9894 194.9270 390.4715 208.2842 390.9536 221.3059 391.4357 234.9468 391.9178 250.9559 392.4000 268.7625 392.8821 285.5007 393.3642 298.8275 393.8463 308.7224 394.3284 314.4824 394.8105 317.0085 395.2927 313.9026 395.7748 303.1495 396.2569 286.6428 396.7390 267.1347 397.2211 245.6646 397.7032 222.9252 398.1854 200.1018 398.6675 176.4639 399.1496 154.6224 399.6317 135.1140 400.1138 117.6621 400.5959 102.4390 401.0780 89.48019 401.5602 78.22729 402.0423 68.36179 402.5244 59.87614 403.0065 52.61900 403.4886 46.87540 403.9707 42.04008 404.4529 37.65100 404.9350 33.76693 405.4171 30.47675 405.8992 27.92274 406.3813 25.89063 406.8634 24.00010 407.3456 22.19660 407.8277 20.87414 408.3098 20.68620 408.7919 20.96547 409.2740 20.48221 409.7561 18.84817 410.2383 17.18034 410.7204 16.36041 411.2025 16.13895 411.6846 15.49119 412.1667 13.91190 412.6488 12.22946 413.1310 11.51375 413.6131 11.78603 414.0952 12.24952 414.5773 13.07449 415.0594 13.87662 415.5415 14.21988 416.0237 14.04322 416.5058 13.53294 416.9879 12.77172 417.4700 11.84253 417.9521 11.18955 418.4342 10.83482 418.9164 10.67715 419.3985 10.86851 419.8806 11.18481 420.3627 11.39863 420.8448 11.43266 421.3269 11.08101 421.8091 9.929474 422.2912 7.378044 422.7733 5.822365 423.2554 5.835899 423.7375 6.259659 424.2196 6.588760 424.7018 6.734695 425.1839 6.687172 425.6660 6.407700 426.1481 5.958672 426.6302 5.758385 427.1123 5.700752 427.5945 6.078568 428.0766 7.302635 428.5587 8.778969 429.0408 9.955658 429.5229 10.65581 430.0050 11.03744 430.4872 11.22243 430.9693 11.07339 431.4514 11.29902 431.9335 12.12924 432.4156 13.17757 432.8977 14.28992 433.3799 15.50193 433.8620 16.91943 434.3441 18.52637 434.8262 20.43727 435.3083 23.21115 435.7904 27.39333 436.2726 30.89200 436.7547 32.04445 437.2368 32.67362 437.7189 34.47826 438.2010 37.82856 438.6831 41.50896 439.1653 44.39378 439.6474 46.66447 440.1295 49.38499 440.6116 52.83658 441.0937 56.51867 441.5758 60.17978 442.0580 63.74588 442.5401 66.91576 443.0222 69.92425 443.5043 72.26129 443.9864 73.17982 444.4685 72.79953 444.9507 72.30243 445.4328 72.43539 445.9149 72.57091 446.3970 71.15336 446.8791 67.74781 447.3612 64.40234 447.8434 61.96430 448.3255 59.74994 448.8076 56.87726 449.2897 53.19968 449.7718 49.22562 450.2539 45.45973 450.7361 41.91354 451.2182 37.88970 451.7003 32.45711 452.1824 27.63348 452.6645 24.31812 453.1466 22.04881 453.6288 20.08218 454.1109 18.08761 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