#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:03 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1028 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000483.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_1000483 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 R050120 _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 R050120.rod _rod_data_source.block 3500000 _rod_database.code 1000483 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 126.2023 0.0000000E+00 126.6844 5.8655001E-02 127.1666 7.3288001E-02 127.6487 0.5922090 128.1308 1.372490 128.6129 2.059067 129.0950 2.091682 129.5771 1.706795 130.0593 1.860535 130.5414 3.092369 131.0235 4.916656 131.5056 5.973656 131.9877 5.853462 132.4698 5.046539 132.9520 4.429352 133.4341 4.000397 133.9162 3.890564 134.3983 4.145309 134.8804 4.745216 135.3625 5.635330 135.8447 6.833977 136.3268 8.267479 136.8089 9.926842 137.2910 11.86900 137.7731 13.74754 138.2552 15.57417 138.7374 17.42255 139.2195 18.51971 139.7016 18.69803 140.1837 18.31210 140.6658 18.09496 141.1479 18.11958 141.6301 18.12159 142.1122 18.00906 142.5943 17.84451 143.0764 17.35223 143.5585 16.33912 144.0406 15.00931 144.5228 14.07638 145.0049 13.81131 145.4870 13.61253 145.9691 13.16984 146.4512 12.43051 146.9333 11.52387 147.4155 10.31390 147.8976 8.855499 148.3797 7.766899 148.8618 7.180748 149.3439 6.834587 149.8260 6.558846 150.3082 6.309891 150.7903 6.170670 151.2724 6.135803 151.7545 6.205070 152.2366 6.385193 152.7188 6.658401 153.2009 7.045517 153.6830 7.563164 154.1651 8.730522 154.6472 9.522896 155.1293 9.564919 155.6115 8.753014 156.0936 8.034279 156.5757 7.280281 157.0578 6.789261 157.5399 6.903938 158.0220 8.645493 158.5042 10.19931 158.9863 10.76550 159.4684 10.08539 159.9505 9.447296 160.4326 9.229584 160.9147 9.302979 161.3969 9.481659 161.8790 9.836418 162.3611 10.20507 162.8432 10.55018 163.3253 10.75020 163.8074 10.86690 164.2896 10.48964 164.7717 9.825897 165.2538 9.466751 165.7359 9.857178 166.2180 10.40232 166.7001 10.68690 167.1823 10.60652 167.6644 10.51501 168.1465 10.73476 168.6286 11.24454 169.1107 11.82139 169.5928 12.33418 170.0750 12.77115 170.5571 13.08239 171.0392 13.14851 171.5213 13.24224 172.0034 13.70470 172.4855 14.42583 172.9677 14.89977 173.4498 14.60049 173.9319 13.91965 174.4140 13.43584 174.8961 13.39874 175.3782 13.51919 175.8604 13.46051 176.3425 13.24639 176.8246 13.07826 177.3067 13.22701 177.7888 13.52335 178.2709 13.60880 178.7531 13.25217 179.2352 12.72917 179.7173 12.46593 180.1994 12.45163 180.6815 12.47908 181.1636 12.38470 181.6458 12.18829 182.1279 11.95306 182.6100 11.66793 183.0921 11.36874 183.5742 11.14365 184.0563 11.00945 184.5385 10.85341 185.0206 10.54623 185.5027 10.10984 185.9848 9.691055 186.4669 9.401443 186.9490 9.157913 187.4312 8.676346 187.9133 7.951721 188.3954 7.095207 188.8775 6.081253 189.3596 4.961510 189.8417 4.208237 190.3239 4.286377 190.8060 4.959183 191.2881 4.933609 191.7702 4.096619 192.2523 3.020531 192.7344 2.378632 193.2166 2.175255 193.6987 2.183228 194.1808 2.469131 194.6629 2.981377 195.1450 3.057060 195.6271 2.610527 196.1093 1.947716 196.5914 1.531822 197.0735 1.385452 197.5556 1.198807 198.0377 0.7400130 198.5198 8.3199999E-04 199.0020 0.3227840 199.4841 0.1060100 199.9662 0.3156890 200.4483 0.3329010 200.9304 0.1397820 201.4125 0.4970090 201.8947 0.3514940 202.3768 0.3665240 202.8589 0.6885150 203.3410 0.5135310 203.8231 5.3146001E-02 204.3052 0.3091160 204.7874 0.5750920 205.2695 0.7261580 205.7516 0.7077830 206.2337 0.4791370 206.7158 0.3806990 207.1979 0.4588580 207.6801 0.6280860 208.1622 0.6917420 208.6443 0.6067660 209.1264 0.5662770 209.6085 0.6811100 210.0906 0.9999050 210.5728 1.244030 211.0549 1.415989 211.5370 1.509499 212.0191 1.478500 212.5012 1.284256 212.9833 1.061115 213.4655 0.8894690 213.9476 0.8136630 214.4297 0.6084750 214.9118 0.2071720 215.3939 0.2952350 215.8760 0.6722450 216.3581 0.9021450 216.8403 1.048080 217.3224 1.111156 217.8045 1.026512 218.2866 1.058517 218.7687 1.268456 219.2508 1.580124 219.7330 1.756767 220.2151 1.686600 220.6972 1.675903 221.1793 1.916321 221.6614 2.585945 222.1435 3.012379 222.6257 3.079666 223.1078 2.928936 223.5899 2.963963 224.0720 3.286110 224.5541 3.633305 225.0362 3.866623 225.5184 3.872040 226.0005 4.063423 226.4826 4.559227 226.9647 5.217411 227.4468 5.625107 227.9289 5.608349 228.4111 5.609001 228.8932 5.834778 229.3753 6.364765 229.8574 6.956394 230.3395 7.737190 230.8216 8.543743 231.3038 8.878750 231.7859 8.403133 232.2680 7.951221 232.7501 7.932751 233.2322 8.634937 233.7143 9.107727 234.1965 9.226582 234.6786 9.139168 235.1607 9.267776 235.6428 9.722836 236.1249 10.23122 236.6070 10.68264 237.0892 11.08664 237.5713 11.40332 238.0534 11.58933 238.5355 11.69835 239.0176 11.85824 239.4997 12.03454 239.9819 12.31474 240.4640 12.77387 240.9461 13.60408 241.4282 14.14507 241.9103 14.24203 242.3924 14.09949 242.8746 14.23800 243.3567 14.90262 243.8388 15.47616 244.3209 15.65334 244.8030 15.15094 245.2851 15.02264 245.7673 15.41478 246.2494 16.12196 246.7315 16.70982 247.2136 17.15374 247.6957 17.51810 248.1778 17.81083 248.6600 17.98598 249.1421 18.25069 249.6242 18.75477 250.1063 19.27094 250.5884 19.36568 251.0705 19.00055 251.5527 18.27010 252.0348 17.14959 252.5169 15.48254 252.9990 13.96973 253.4811 12.70689 253.9632 11.51657 254.4454 10.05718 254.9275 8.069965 255.4096 6.288822 255.8917 4.954357 256.3738 4.111118 256.8560 3.504864 257.3381 3.261295 257.8202 3.210476 258.3023 3.075684 258.7844 2.833340 259.2665 2.487366 259.7487 1.997055 260.2308 1.319668 260.7129 1.046909 261.1950 1.357864 261.6771 1.852051 262.1592 1.968040 262.6414 1.563416 263.1235 1.165009 263.6056 0.9262810 264.0877 0.8656880 264.5698 0.8502350 265.0519 0.8191180 265.5341 0.8828050 266.0162 1.265732 266.4983 2.150204 266.9804 2.803616 267.4625 2.935917 267.9446 2.545353 268.4268 2.530178 268.9089 3.065075 269.3910 3.681847 269.8731 3.890884 270.3552 3.619469 270.8373 3.269794 271.3195 2.893410 271.8016 2.493126 272.2837 2.166019 272.7658 1.937416 273.2479 1.759880 273.7300 1.523640 274.2122 1.180496 274.6943 1.049622 275.1764 1.291534 275.6585 1.794262 276.1406 1.907875 276.6227 1.519817 277.1049 1.126236 277.5870 1.171787 278.0691 1.695480 278.5512 2.189548 279.0333 2.586056 279.5154 2.896267 279.9976 3.136978 280.4797 3.298122 280.9618 3.433437 281.4439 3.547489 281.9260 3.639820 282.4081 3.881035 282.8903 4.347538 283.3724 4.927402 283.8545 5.279682 284.3366 5.398941 284.8187 5.487144 285.3008 5.622269 285.7830 5.816254 286.2651 6.220325 286.7472 6.883724 287.2293 7.688534 287.7114 8.473747 288.1935 9.227726 288.6757 9.900150 289.1578 10.40746 289.6399 10.79420 290.1220 11.22486 290.6041 11.65924 291.0862 12.23196 291.5684 13.31919 292.0505 14.86565 292.5326 16.18687 293.0147 16.80079 293.4968 16.93745 293.9789 17.34837 294.4611 18.10288 294.9432 18.85722 295.4253 19.19560 295.9074 19.17679 296.3895 19.05559 296.8716 19.00574 297.3538 18.91516 297.8359 18.52943 298.3180 17.83166 298.8001 16.98444 299.2822 16.00709 299.7643 14.99158 300.2465 14.20236 300.7286 13.92003 301.2107 13.78991 301.6928 13.26890 302.1749 12.38485 302.6570 11.48713 303.1392 10.82541 303.6213 10.34747 304.1034 9.961460 304.5855 9.527573 305.0676 9.302567 305.5497 9.685001 306.0319 10.57101 306.5140 11.43949 306.9961 12.02627 307.4782 12.36562 307.9603 12.45739 308.4424 12.16098 308.9246 11.87715 309.4067 11.93523 309.8888 12.25960 310.3709 12.63874 310.8530 12.93169 311.3351 13.24178 311.8173 13.66436 312.2994 14.24097 312.7815 14.86306 313.2636 15.51208 313.7457 16.15359 314.2278 16.72801 314.7100 17.05249 315.1921 17.41241 315.6742 17.97810 316.1563 18.77494 316.6384 19.71260 317.1205 20.74734 317.6027 21.88787 318.0848 23.13811 318.5669 24.62806 319.0490 26.12804 319.5311 27.44712 320.0132 28.55773 320.4954 29.96127 320.9775 32.13787 321.4596 34.49442 321.9417 36.49652 322.4238 37.64387 322.9059 38.83561 323.3881 40.58995 323.8702 42.78830 324.3523 44.14725 324.8344 43.91864 325.3165 43.16147 325.7986 42.50202 326.2808 42.96480 326.7629 42.38593 327.2450 40.18548 327.7271 36.72261 328.2092 33.40962 328.6913 30.21407 329.1735 27.21387 329.6556 24.40228 330.1377 21.86344 330.6198 19.34244 331.1019 16.72174 331.5840 14.15985 332.0662 11.90262 332.5483 9.977680 333.0304 8.307541 333.5125 6.901291 333.9946 5.742546 334.4767 4.845417 334.9589 4.306946 335.4410 3.947067 335.9231 3.544609 336.4052 3.076832 336.8873 2.630966 337.3694 2.220798 337.8516 1.850349 338.3336 1.588924 338.8158 1.498672 339.2979 1.386524 339.7800 0.9650800 340.2621 0.1391870 340.7442 0.2560770 341.2263 9.4283998E-02 341.7085 0.8955380 342.1906 1.113453 342.6727 0.6853260 343.1548 7.8979000E-02 343.6369 0.5060690 344.1190 1.050274 344.6012 1.243912 345.0833 0.9536510 345.5654 0.4910050 346.0475 0.4777530 346.5296 0.8826030 347.0117 1.208000 347.4939 1.125278 347.9760 0.7473260 348.4581 0.3909530 348.9402 5.6187000E-02 349.4223 0.1724930 349.9044 9.8061003E-02 350.3866 0.1828540 350.8687 0.3392450 351.3508 0.1054080 351.8329 0.2753070 352.3150 0.4315910 352.7971 0.3667450 353.2793 0.1956410 353.7614 0.1160200 354.2435 0.4515460 354.7256 0.6206700 355.2077 0.5269010 355.6898 0.3009950 356.1720 4.8057999E-02 356.6541 0.4693490 357.1362 0.7460400 357.6183 0.5914420 358.1004 0.3258820 358.5826 0.2520870 359.0647 0.4879840 359.5468 0.7609560 360.0289 0.9843100 360.5110 1.137756 360.9931 1.182964 361.4753 1.033035 361.9574 0.8288080 362.4395 0.6057010 362.9216 0.3461190 363.4037 0.2080460 363.8858 0.3317410 364.3680 0.5643310 364.8501 0.7455480 365.3322 0.7108990 365.8143 0.7552680 366.2964 1.033775 366.7785 1.538918 367.2607 1.852951 367.7428 1.694935 368.2249 1.498562 368.7070 1.526867 369.1891 1.900936 369.6712 2.347794 370.1534 3.005337 370.6355 3.736759 371.1176 4.076729 371.5997 3.606331 372.0818 3.284653 372.5639 3.584202 373.0461 4.857094 373.5282 5.535034 374.0103 5.288570 374.4924 4.765457 374.9745 5.032848 375.4566 6.378899 375.9388 7.612343 376.4209 8.353558 376.9030 8.641579 377.3851 8.957733 377.8672 9.302975 378.3493 9.687939 378.8315 10.08676 379.3136 10.50116 379.7957 11.09143 380.2778 11.94603 380.7599 12.94258 381.2420 13.69101 381.7242 14.17937 382.2063 14.95079 382.6884 16.55896 383.1705 18.76608 383.6526 20.64664 384.1347 22.03825 384.6169 23.38297 385.0990 25.31451 385.5811 27.66767 386.0632 29.82430 386.5453 31.05730 387.0274 32.13305 387.5096 34.22856 387.9917 37.33588 388.4738 40.48138 388.9559 42.67537 389.4380 44.45390 389.9201 46.54350 390.4023 49.24628 390.8844 52.21917 391.3665 55.18699 391.8486 58.23508 392.3307 61.57484 392.8128 65.34244 393.2950 69.41402 393.7771 73.69469 394.2592 78.02314 394.7413 82.90800 395.2234 88.73021 395.7055 95.13336 396.1877 101.5676 396.6698 108.0153 397.1519 114.3727 397.6340 120.7694 398.1161 127.2682 398.5982 133.2014 399.0804 138.7664 399.5625 143.6366 400.0446 147.6446 400.5267 151.9312 401.0088 153.6712 401.4909 152.1174 401.9731 147.7764 402.4552 142.6973 402.9373 137.0321 403.4194 130.4737 403.9015 122.6508 404.3836 113.1327 404.8658 103.8296 405.3479 94.71326 405.8300 86.04935 406.3121 78.07707 406.7942 70.78263 407.2763 64.20643 407.7585 58.35553 408.2406 53.20249 408.7227 48.86440 409.2048 45.41146 409.6869 42.47894 410.1690 39.86983 410.6512 37.56362 411.1333 35.29548 411.6154 32.91077 412.0975 30.74086 412.5796 29.36755 413.0617 28.72626 413.5439 28.29700 414.0260 27.90205 414.5081 27.46918 414.9902 26.89532 415.4723 26.15726 415.9544 25.45410 416.4366 24.97615 416.9187 24.63282 417.4008 24.25886 417.8829 23.59785 418.3650 23.04449 418.8471 22.88638 419.3293 23.10094 419.8114 23.40026 420.2935 23.65474 420.7756 23.92688 421.2577 24.29231 421.7398 24.98959 422.2220 25.39812 422.7041 25.36928 423.1862 24.97955 423.6683 24.35080 424.1504 23.22525 424.6325 22.14552 425.1147 21.26773 425.5968 20.60164 426.0789 19.95036 426.5610 19.40344 427.0431 18.79023 427.5252 17.95701 428.0074 16.78255 428.4895 15.65884 428.9716 14.59676 429.4537 13.63791 429.9358 12.98206 430.4179 12.71328 430.9001 12.45416 431.3822 11.94747 431.8643 11.18537 432.3464 10.70749 432.8285 10.52930 433.3106 10.58858 433.7928 10.96581 434.2749 11.60027 434.7570 11.95456 435.2391 11.71711 435.7212 11.21443 436.2033 11.06352 436.6855 11.24797 437.1676 11.58478 437.6497 12.00217 438.1318 12.47201 438.6139 12.99393 439.0960 13.61942 439.5782 14.10649 440.0603 14.03323 440.5424 13.69759 441.0245 13.65704 441.5066 14.43584 441.9887 15.34107 442.4709 16.02582 442.9530 16.47542 443.4351 16.72890 443.9172 16.63708 444.3993 16.44807 444.8814 16.34853 445.3636 16.56007 445.8457 16.60423 446.3278 16.30681 446.8099 15.79655 447.2920 15.39343 447.7741 15.48099 448.2563 15.24732 448.7384 14.33311 449.2205 12.58793 449.7026 11.31959 450.1847 10.72925 450.6668 10.38078 451.1490 9.832973 451.6311 8.955322 452.1132 8.412807 452.5953 8.404385 453.0774 8.711132 453.5595 8.774300 454.0417 8.589474 454.5238 8.189495 455.0059 7.499756 455.4880 6.584038 455.9701 5.682281 456.4522 4.780510 456.9344 4.066315 457.4165 3.909096 457.8986 4.116261 458.3807 4.140114 458.8628 3.670094 459.3449 3.091972 459.8271 2.858166 460.3092 2.908989 460.7913 2.979946 461.2734 2.943001 461.7555 2.843353 462.2376 2.732895 462.7198 2.638470 463.2019 2.444458 463.6840 1.952095 464.1661 1.378910 464.6482 0.9881820 465.1303 1.069111 465.6125 1.108517 466.0946 0.9248730 466.5767 0.5450820 467.0588 0.2588460 467.5409 0.1717950 468.0230 0.1070400 468.5052 3.7620999E-02 468.9873 0.4027560 469.4694 0.4689220 469.9515 5.0930001E-02 470.4336 0.5062480 470.9157 0.6978380 471.3979 0.4290120 471.8800 0.1159820 472.3621 0.1321110 472.8442 0.3400120 473.3263 0.7379650 473.8084 1.380867 474.2906 1.792103 474.7727 1.357872 475.2548 0.3151930 475.7369 0.1022260 476.2190 0.3336870 476.7011 0.9888570 477.1833 1.121372 477.6654 0.8580550 478.1475 0.5442430 478.6296 0.1928710 479.1117 4.9545001E-02 479.5938 0.1161350 480.0760 0.6107790 480.5581 0.9005050 481.0402 0.4815750 481.5223 0.1475220 482.0044 0.5865250 482.4865 0.7163200 482.9687 0.7734300 483.4508 0.8450930 483.9329 0.8894350 484.4150 0.8467860 484.8971 0.4784470 485.3792 0.2622150 485.8614 0.3630450 486.3435 0.7562710 486.8256 1.123283 487.3077 1.569347 487.7898 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