#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:37:42 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1194 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000608.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_1000608 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 R050065 _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 R050065.rod _rod_data_source.block 3500000 _rod_database.code 1000608 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 114.9964 0.0000000E+00 115.4785 0.6362340 115.9606 0.8608670 116.4427 0.5501330 116.9248 0.4827270 117.4069 0.9986150 117.8891 1.829338 118.3712 2.448570 118.8533 2.709145 119.3354 2.757137 119.8175 2.709885 120.2996 2.576077 120.7818 2.487743 121.2639 2.475731 121.7460 2.530811 122.2281 2.869774 122.7102 4.192917 123.1923 5.362247 123.6745 5.662083 124.1566 5.008968 124.6387 3.932796 125.1208 3.175423 125.6029 2.841713 126.0850 2.643806 126.5672 2.583832 127.0493 2.601704 127.5314 2.658581 128.0135 2.737213 128.4956 2.835903 128.9777 2.949738 129.4599 3.264442 129.9420 3.376812 130.4241 3.083065 130.9062 2.594810 131.3883 2.206673 131.8705 2.091221 132.3526 2.194572 132.8347 2.586292 133.3168 3.417610 133.7989 3.926270 134.2810 4.051846 134.7632 3.859161 135.2453 3.637520 135.7274 3.495869 136.2095 3.500088 136.6916 3.775185 137.1737 4.725525 137.6559 5.716450 138.1380 6.006416 138.6201 5.465649 139.1022 4.834530 139.5843 4.615841 140.0664 4.617954 140.5486 4.584869 141.0307 4.371620 141.5128 4.053997 141.9949 3.875370 142.4770 3.944473 142.9591 3.993172 143.4413 3.924202 143.9234 3.756756 144.4055 3.524059 144.8876 3.241444 145.3697 2.909679 145.8518 2.571743 146.3340 2.312237 146.8161 1.971752 147.2982 1.365353 147.7803 0.5959320 148.2624 5.2910000E-02 148.7445 0.2589800 149.2267 0.1574940 149.7088 0.2360840 150.1909 0.3821330 150.6730 0.9740980 151.1551 1.113277 151.6372 0.7475510 152.1194 0.1391680 152.6015 0.4126590 153.0836 0.9500430 153.5657 1.300724 154.0478 1.368736 154.5299 1.262192 155.0121 1.067894 155.4942 0.7997320 155.9763 0.5350570 156.4584 0.4139330 156.9405 0.4450190 157.4227 0.4626620 157.9048 0.3629570 158.3869 0.2295040 158.8690 0.2921410 159.3511 0.6561780 159.8332 1.083160 160.3154 1.281906 160.7975 1.219193 161.2796 1.193153 161.7617 1.376141 162.2438 1.637611 162.7259 1.883572 163.2081 2.112461 163.6902 2.315025 164.1723 2.502460 164.6544 2.539230 165.1365 2.438175 165.6186 2.231617 166.1008 1.892071 166.5829 1.701855 167.0650 1.798069 167.5471 2.005054 168.0292 2.289486 168.5113 2.635597 168.9935 2.907089 169.4756 2.811371 169.9577 1.947762 170.4398 1.498291 170.9219 1.864578 171.4040 2.452408 171.8862 2.750248 172.3683 2.576855 172.8504 2.131516 173.3325 1.824142 173.8146 1.717804 174.2967 1.696465 174.7789 1.827957 175.2610 2.020939 175.7431 2.184849 176.2252 2.281372 176.7073 2.305115 177.1894 2.229774 177.6716 1.871979 178.1537 1.646202 178.6358 1.712719 179.1179 1.961124 179.6000 2.191959 180.0821 2.321514 180.5643 2.347385 181.0464 2.263180 181.5285 1.971035 182.0106 1.726383 182.4927 1.678158 182.9749 1.791935 183.4570 1.916466 183.9391 1.993553 184.4212 2.024372 184.9033 2.020906 185.3854 1.953955 185.8676 1.900970 186.3497 1.977474 186.8318 2.190342 187.3139 2.286081 187.7960 2.002481 188.2781 1.604868 188.7603 1.413385 189.2424 1.554916 189.7245 1.766838 190.2066 1.671337 190.6887 1.168375 191.1708 0.7156300 191.6530 0.4531670 192.1351 0.3218400 192.6172 0.2996810 193.0993 0.3886850 193.5814 0.5483550 194.0635 0.7003750 194.5457 0.8370950 195.0278 0.9817470 195.5099 1.194485 195.9920 1.393547 196.4741 1.488014 196.9562 1.434212 197.4384 1.280409 197.9205 1.163954 198.4026 1.118887 198.8847 1.069096 199.3668 1.018167 199.8489 0.9537450 200.3311 0.8653410 200.8132 0.7474350 201.2953 0.5982250 201.7774 0.4128780 202.2595 9.4681002E-02 202.7416 0.1554570 203.2238 0.3195020 203.7059 0.4022540 204.1880 0.4126890 204.6701 0.3541790 205.1522 0.2328410 205.6344 7.1409002E-02 206.1165 0.2989250 206.5986 0.5055920 207.0807 0.3326450 207.5628 4.3900002E-02 208.0449 0.2798330 208.5271 0.1870400 209.0092 0.1422790 209.4913 0.2885320 209.9734 0.1619820 210.4555 3.6450000E-03 210.9376 9.0204000E-02 211.4198 0.1479150 211.9019 0.2679650 212.3840 0.5442430 212.8661 0.8668880 213.3482 0.9414880 213.8303 0.6695650 214.3125 0.3303990 214.7946 5.7045002E-02 215.2767 0.1582110 215.7588 0.3534810 216.2409 0.5487370 216.7230 0.7254120 217.2052 0.8688490 217.6873 0.9883770 218.1694 1.059029 218.6515 1.003109 219.1336 0.8256820 219.6157 0.7575510 220.0979 0.9876610 220.5800 1.310835 221.0621 1.489105 221.5442 1.471336 222.0263 1.415695 222.5084 1.458559 222.9906 1.601051 223.4727 1.817682 223.9548 2.193209 224.4369 2.586658 224.9190 2.933886 225.4011 3.229780 225.8833 3.382292 226.3654 3.182074 226.8475 2.504824 227.3296 2.083187 227.8117 2.236603 228.2938 2.590651 228.7760 3.024153 229.2581 3.491671 229.7402 3.841215 230.2223 3.757114 230.7044 2.959967 231.1866 2.636721 231.6687 3.368261 232.1508 4.252951 232.6329 4.749552 233.1150 4.756821 233.5971 4.520828 234.0793 4.375330 234.5614 4.366535 235.0435 4.336790 235.5256 4.291729 236.0077 4.220856 236.4898 4.047226 236.9720 3.794979 237.4541 3.628138 237.9362 3.812908 238.4183 4.611794 238.9004 5.114590 239.3825 5.139441 239.8647 5.059046 240.3468 5.105347 240.8289 5.312086 241.3110 5.571096 241.7931 5.760088 242.2752 5.892836 242.7574 5.880386 243.2395 5.604465 243.7216 5.294453 244.2037 5.056740 244.6858 4.923931 245.1679 4.920961 245.6501 5.099373 246.1322 5.543171 246.6143 5.811253 247.0964 5.821281 247.5785 5.742115 248.0606 5.646193 248.5428 5.554941 249.0249 5.500668 249.5070 5.517338 249.9891 5.617325 250.4712 5.748465 250.9533 6.046816 251.4355 6.276432 251.9176 6.243187 252.3997 5.954870 252.8818 5.592663 253.3639 5.299570 253.8460 5.077616 254.3282 4.845486 254.8103 4.635378 255.2924 4.389269 255.7745 4.040022 256.2566 3.598433 256.7387 3.170273 257.2209 2.822002 257.7030 2.559612 258.1851 2.342373 258.6672 2.124702 259.1493 1.987749 259.6314 2.075394 260.1136 2.345253 260.5957 2.480391 261.0778 2.255953 261.5599 1.771923 262.0420 1.371149 262.5241 0.9936310 263.0063 0.7865730 263.4884 0.9840770 263.9705 1.538990 264.4526 1.929203 264.9347 1.790197 265.4168 1.388023 265.8990 1.310226 266.3811 1.764992 266.8632 2.189735 267.3453 2.038666 267.8275 1.386837 268.3096 0.9000550 268.7917 0.8485240 269.2738 1.076515 269.7559 1.361288 270.2380 1.710770 270.7202 1.991758 271.2023 2.153938 271.6844 2.217014 272.1665 2.150009 272.6486 1.834719 273.1307 1.486328 273.6129 1.363073 274.0950 1.459194 274.5771 1.487581 275.0592 1.119707 275.5413 0.4598200 276.0234 0.1463640 276.5056 0.4272420 276.9877 0.8869190 277.4698 1.258341 277.9519 1.535702 278.4340 1.679262 278.9161 1.545961 279.3983 1.224333 279.8804 1.136658 280.3625 1.428200 280.8446 1.779543 281.3267 1.981716 281.8088 2.085915 282.2910 2.213715 282.7731 2.466938 283.2552 2.790985 283.7373 2.992506 284.2194 3.006704 284.7015 3.016380 285.1837 3.123596 285.6658 3.287037 286.1479 3.434620 286.6300 3.538990 287.1121 3.644165 287.5942 3.889059 288.0764 4.310850 288.5585 4.718565 289.0406 5.077185 289.5227 5.400803 290.0048 5.666508 290.4869 5.860519 290.9691 6.043802 291.4512 6.345470 291.9333 6.818398 292.4154 7.196375 292.8975 7.304058 293.3796 7.379229 293.8618 7.657579 294.3439 8.198185 294.8260 8.742525 295.3081 8.949739 295.7902 8.766590 296.2723 8.467863 296.7545 7.890663 297.2366 7.365971 297.7187 7.177614 298.2008 7.302954 298.6829 7.409739 299.1650 7.094048 299.6472 6.283920 300.1293 5.729761 300.6114 5.762966 301.0935 5.815163 301.5756 5.589127 302.0577 5.146544 302.5399 4.746544 303.0220 4.627800 303.5041 4.769514 303.9862 4.826359 304.4683 4.649042 304.9504 4.566296 305.4326 4.763805 305.9147 5.130438 306.3968 5.464384 306.8789 5.650801 307.3610 5.706850 307.8431 5.676146 308.3253 5.393993 308.8074 5.299149 309.2895 5.656923 309.7716 6.191332 310.2537 6.539871 310.7358 6.524498 311.2180 6.344822 311.7001 6.479321 312.1822 7.146912 312.6643 7.643400 313.1464 7.676720 313.6285 7.599751 314.1107 7.709438 314.5928 8.083469 315.0749 8.559439 315.5570 8.868610 316.0392 8.911789 316.5213 9.154350 317.0034 9.770399 317.4855 10.50370 317.9676 11.21311 318.4497 11.89264 318.9319 12.63300 319.4140 13.58415 319.8961 14.78551 320.3782 15.79467 320.8603 16.39067 321.3424 16.99032 321.8246 17.74377 322.3067 18.63075 322.7888 19.59054 323.2709 20.61416 323.7530 21.67631 324.2351 22.57301 324.7173 23.48610 325.1994 23.92427 325.6815 23.73729 326.1636 23.04817 326.6457 21.99842 327.1278 20.63135 327.6100 19.02126 328.0921 17.30490 328.5742 15.38495 329.0563 13.56416 329.5384 11.78430 330.0205 10.18540 330.5027 8.960096 330.9848 8.154331 331.4669 7.519363 331.9490 6.703068 332.4311 5.656513 332.9132 4.641306 333.3954 3.587366 333.8775 2.655415 334.3596 1.952898 334.8417 1.483187 335.3238 1.188917 335.8059 1.110281 336.2881 1.252054 336.7702 1.174038 337.2523 0.5984750 337.7344 0.1009810 338.2165 7.6850001E-03 338.6986 0.1620660 339.1808 0.3371140 339.6629 0.3477780 340.1450 0.2372170 340.6271 0.1770170 341.1092 0.2202780 341.5913 0.2087750 342.0735 2.4692999E-02 342.5556 0.3046040 343.0377 0.3676850 343.5198 5.6423001E-02 344.0019 0.3268240 344.4840 0.1886290 344.9662 0.6563630 345.4483 1.211742 345.9304 0.8311230 346.4125 0.2418630 346.8946 5.6793001E-02 347.3767 1.2962000E-02 347.8589 0.2055070 348.3410 0.3342700 348.8231 0.3988170 349.3052 0.3409770 349.7873 2.5087001E-02 350.2694 0.2706910 350.7516 0.3466210 351.2337 0.2356530 351.7158 8.8281997E-02 352.1979 4.2431001E-02 352.6800 0.1433600 353.1621 0.1499630 353.6443 8.9990003E-03 354.1264 0.1062200 354.6085 6.6220001E-03 355.0906 0.1945100 355.5727 0.1828940 356.0548 0.2489220 356.5370 0.7615850 357.0191 0.8376810 357.5012 0.4323270 357.9833 9.2550002E-02 358.4654 0.1156690 358.9475 0.2803250 359.4297 0.2935660 359.9118 8.7954998E-02 360.3939 6.6712998E-02 360.8760 8.0182999E-02 361.3581 0.4695450 361.8402 0.8155400 362.3224 1.080610 362.8045 1.232880 363.2866 1.211380 363.7687 1.034142 364.2508 0.8515150 364.7329 0.7049980 365.2151 0.5949730 365.6972 0.5272480 366.1793 0.5056650 366.6614 0.5017720 367.1436 0.4612500 367.6257 0.4225620 368.1078 0.5057160 368.5899 0.8465330 369.0720 1.215771 369.5541 1.392262 370.0363 1.407969 370.5184 1.486071 371.0005 1.770720 371.4826 2.144325 371.9647 2.344473 372.4468 2.340786 372.9290 2.268417 373.4111 2.081390 373.8932 1.877935 374.3753 1.847200 374.8574 2.043390 375.3395 2.384703 375.8217 2.785730 376.3038 3.249416 376.7859 3.746092 377.2680 4.293295 377.7501 4.859465 378.2322 5.441977 378.7144 6.030382 379.1965 6.563160 379.6786 6.981846 380.1607 7.299553 380.6428 7.686892 381.1249 8.168962 381.6071 8.677681 382.0892 9.182550 382.5713 9.700159 383.0534 10.24242 383.5355 10.81164 384.0176 11.45097 384.4998 12.26630 384.9819 13.41394 385.4640 14.49450 385.9461 15.35939 386.4282 16.23897 386.9103 17.40291 387.3925 18.84394 387.8746 20.26896 388.3567 21.31925 388.8388 21.90508 389.3209 22.77112 389.8030 23.87427 390.2852 25.25355 390.7673 26.97586 391.2494 28.98449 391.7315 31.18606 392.2136 33.52670 392.6957 36.00197 393.1779 38.55890 393.6600 41.24483 394.1421 43.95553 394.6242 46.33987 395.1063 48.94680 395.5884 52.33310 396.0706 56.61223 396.5527 61.30389 397.0348 65.88699 397.5169 70.38905 397.9990 74.56673 398.4811 78.78988 398.9633 82.28956 399.4454 84.81815 399.9275 86.34892 400.4096 86.92249 400.8917 86.54167 401.3738 85.27335 401.8560 83.34097 402.3381 80.92965 402.8202 77.37122 403.3023 71.86485 403.7844 65.60518 404.2665 59.62870 404.7487 54.19281 405.2308 49.25698 405.7129 44.90652 406.1950 41.14047 406.6771 37.50822 407.1592 33.88562 407.6414 30.49764 408.1235 27.39682 408.6056 24.60734 409.0877 22.22020 409.5698 20.37651 410.0519 18.97060 410.5341 17.79540 411.0162 16.90698 411.4983 16.05624 411.9804 14.98627 412.4625 13.87491 412.9446 13.06152 413.4268 12.72569 413.9089 12.49956 414.3910 12.06202 414.8731 11.47974 415.3553 11.06655 415.8374 10.92869 416.3195 10.95522 416.8016 11.04366 417.2837 11.20989 417.7658 11.32946 418.2480 11.30866 418.7301 11.25150 419.2122 11.30501 419.6943 11.47610 420.1764 11.58668 420.6585 11.46923 421.1407 11.15298 421.6228 10.96140 422.1049 11.02489 422.5870 11.05510 423.0691 10.95017 423.5512 10.74279 424.0334 10.47490 424.5155 10.15990 424.9976 9.784189 425.4797 9.327129 425.9618 8.692215 426.4439 8.217592 426.9261 8.043674 427.4082 7.878992 427.8903 7.514866 428.3724 6.972174 428.8545 6.439772 429.3366 6.082933 429.8188 5.885002 430.3009 5.601332 430.7830 5.116508 431.2651 4.673548 431.7472 4.304749 432.2293 4.001085 432.7115 3.741180 433.1936 3.518612 433.6757 3.372663 434.1578 3.390579 434.6399 3.624516 435.1220 3.836137 435.6042 4.022247 436.0863 4.168186 436.5684 4.229803 437.0505 4.236300 437.5326 4.281115 438.0147 4.460549 438.4969 4.717561 438.9790 4.831864 439.4611 4.739409 439.9432 4.667042 440.4253 4.759654 440.9074 4.897259 441.3896 4.953577 441.8717 4.897741 442.3538 4.828522 442.8359 4.806498 443.3180 4.838190 443.8001 4.983133 444.2823 5.310667 444.7644 5.648148 445.2465 5.827420 445.7286 5.875412 446.2107 5.872009 446.6928 5.873742 447.1750 5.811029 447.6571 5.563082 448.1392 5.152150 448.6213 4.783916 449.1034 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