#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:37:49 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1196 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000610.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_1000610 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 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 R050120.rod _rod_data_source.block 3500000 _rod_database.code 1000610 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 115.9606 0.0000000E+00 116.4427 1.2432000E-02 116.9248 0.2245940 117.4069 0.7331920 117.8891 1.353062 118.3712 1.837563 118.8533 2.105659 119.3354 2.215462 119.8175 2.185242 120.2996 2.027752 120.7818 1.942696 121.2639 2.068214 121.7460 2.404984 122.2281 2.858799 122.7102 3.790909 123.1923 4.571857 123.6745 4.804329 124.1566 4.432594 124.6387 3.746273 125.1208 3.109394 125.6029 2.396397 126.0850 1.994347 126.5672 2.085438 127.0493 2.349522 127.5314 2.550549 128.0135 2.593128 128.4956 2.511566 128.9777 2.398254 129.4599 2.022758 129.9420 1.883133 130.4241 2.201309 130.9062 2.749065 131.3883 3.160454 131.8705 3.208294 132.3526 2.996468 132.8347 3.119434 133.3168 4.038998 133.7989 4.911423 134.2810 5.153255 134.7632 4.986423 135.2453 4.723454 135.7274 4.490593 136.2095 4.339687 136.6916 4.373604 137.1737 4.779797 137.6559 5.278591 138.1380 5.567818 138.6201 5.634998 139.1022 5.606613 139.5843 5.548336 140.0664 5.433395 140.5486 5.252213 141.0307 5.005154 141.5128 4.712952 141.9949 4.385616 142.4770 3.947174 142.9591 3.615349 143.4413 3.584232 143.9234 3.692348 144.4055 3.686550 144.8876 3.353153 145.3697 2.680424 145.8518 1.990952 146.3340 0.9616430 146.8161 0.1949310 147.2982 1.0765000E-02 147.7803 0.2984960 148.2624 0.7229770 148.7445 0.9809800 149.2267 1.091637 149.7088 0.9017520 150.1909 2.6698999E-02 150.6730 0.8461340 151.1551 0.9597090 151.6372 0.3474620 152.1194 0.4724080 152.6015 0.8627240 153.0836 0.5881650 153.5657 0.4486500 154.0478 0.5601160 154.5299 0.7535480 155.0121 0.8588600 155.4942 0.9584010 155.9763 0.9917220 156.4584 0.9507640 156.9405 0.9254910 157.4227 0.8835750 157.9048 0.7383230 158.3869 0.6064410 158.8690 0.7054020 159.3511 0.9279820 159.8332 1.242317 160.3154 1.644878 160.7975 2.181492 161.2796 2.528278 161.7617 2.171268 162.2438 1.176903 162.7259 0.5442090 163.2081 0.4983560 163.6902 0.7380070 164.1723 1.130997 164.6544 1.502708 165.1365 1.709827 165.6186 1.557423 166.1008 0.9309270 166.5829 0.5275310 167.0650 0.6334230 167.5471 0.8711550 168.0292 1.040810 168.5113 1.091007 168.9935 1.074169 169.4756 1.050194 169.9577 0.9167140 170.4398 0.9818420 170.9219 1.528194 171.4040 2.117775 171.8862 2.337166 172.3683 2.044430 172.8504 1.469044 173.3325 1.153664 173.8146 1.461586 174.2967 1.658241 174.7789 1.549393 175.2610 1.373661 175.7431 1.463383 176.2252 1.981373 176.7073 2.750587 177.1894 3.176693 177.6716 3.042747 178.1537 2.879852 178.6358 2.754128 179.1179 2.667255 179.6000 2.625156 180.0821 2.640385 180.5643 2.692547 181.0464 2.706017 181.5285 2.572987 182.0106 2.554676 182.4927 2.900253 182.9749 3.516689 183.4570 3.977718 183.9391 4.043526 184.4212 3.826756 184.9033 3.622093 185.3854 3.410789 185.8676 3.248703 186.3497 3.245125 186.8318 3.407841 187.3139 3.452206 187.7960 3.144707 188.2781 2.691059 188.7603 2.313675 189.2424 2.064915 189.7245 1.875828 190.2066 1.661499 190.6887 1.415146 191.1708 1.164574 191.6530 0.8436090 192.1351 0.5565870 192.6172 0.4447860 193.0993 0.5897980 193.5814 0.8100240 194.0635 0.6870570 194.5457 7.8483999E-02 195.0278 0.5792690 195.5099 0.5037800 195.9920 0.1721460 196.4741 0.1297950 196.9562 0.2777630 197.4384 0.2983860 197.9205 0.2637440 198.4026 0.1391450 198.8847 6.0999999E-04 199.3668 0.1493610 199.8489 0.3040310 200.3311 0.4903370 200.8132 0.7256700 201.2953 0.9497260 201.7774 0.9190980 202.2595 0.2757840 202.7416 0.2382740 203.2238 0.5538250 203.7059 0.6977160 204.1880 0.6974830 204.6701 0.5589980 205.1522 0.3135640 205.6344 0.1033940 206.1165 0.1537970 206.5986 0.2955970 207.0807 0.1849750 207.5628 6.1569002E-02 208.0449 0.1952290 208.5271 2.1481000E-02 209.0092 0.3201480 209.4913 0.2963640 209.9734 0.4742890 210.4555 1.036743 210.9376 0.8675040 211.4198 0.1944350 211.9019 0.3529970 212.3840 0.4577180 212.8661 0.2063180 213.3482 0.1126060 213.8303 0.5847170 214.3125 0.9837680 214.7946 1.150238 215.2767 1.117805 215.7588 1.050709 216.2409 0.9750560 216.7230 0.9427680 217.2052 1.026299 217.6873 1.256746 218.1694 1.543707 218.6515 1.862467 219.1336 2.208191 219.6157 2.455383 220.0979 2.510601 220.5800 2.462194 221.0621 2.394302 221.5442 2.301559 222.0263 2.253511 222.5084 2.317471 222.9906 2.496590 223.4727 2.746252 223.9548 3.208755 224.4369 3.634878 224.9190 3.793385 225.4011 3.629969 225.8833 3.400263 226.3654 3.447206 226.8475 3.853060 227.3296 4.135811 227.8117 4.070068 228.2938 3.928480 228.7760 3.832724 229.2581 3.816851 229.7402 3.919884 230.2223 4.238245 230.7044 4.874237 231.1866 5.394676 231.6687 5.692888 232.1508 5.918076 232.6329 6.172285 233.1150 6.469030 233.5971 6.731592 234.0793 6.844387 234.5614 6.747547 235.0435 6.638298 235.5256 6.435497 236.0077 6.284197 236.4898 6.251347 236.9720 6.360790 237.4541 6.626080 237.9362 7.108217 238.4183 8.013260 238.9004 8.610741 239.3825 8.718307 239.8647 8.712418 240.3468 8.789379 240.8289 8.996405 241.3110 9.310516 241.7931 9.732723 242.2752 10.38308 242.7574 10.75544 243.2395 10.60301 243.7216 10.40018 244.2037 10.44220 244.6858 10.76463 245.1679 11.22722 245.6501 11.68335 246.1322 12.13107 246.6143 12.56945 247.0964 12.97348 247.5785 13.39012 248.0606 13.93995 248.5428 14.58903 249.0249 15.09455 249.5070 15.19686 249.9891 14.81959 250.4712 14.47900 250.9533 14.29987 251.4355 14.06591 251.9176 13.64972 252.3997 13.01614 252.8818 12.16935 253.3639 11.13070 253.8460 9.901443 254.3282 8.709091 254.8103 7.422226 255.2924 6.244905 255.7745 5.369125 256.2566 4.776684 256.7387 4.267279 257.2209 3.692554 257.7030 3.087448 258.1851 2.612232 258.6672 2.343531 259.1493 2.138678 259.6314 1.957567 260.1136 1.828934 260.5957 1.659407 261.0778 1.328680 261.5599 0.9088020 262.0420 0.6244010 262.5241 0.5012470 263.0063 0.4781130 263.4884 0.5719390 263.9705 0.7554240 264.4526 0.8547270 264.9347 0.7518750 265.4168 0.5670970 265.8990 0.5255510 266.3811 0.6899950 266.8632 0.8122480 267.3453 0.6211640 267.8275 0.2149280 268.3096 0.1279640 268.7917 0.7661910 269.2738 1.621775 269.7559 1.989613 270.2380 1.821085 270.7202 1.558977 271.2023 1.507629 271.6844 1.623735 272.1665 1.643944 272.6486 1.424448 273.1307 1.165632 273.6129 1.075548 274.0950 1.152552 274.5771 1.252323 275.0592 1.255543 275.5413 1.190334 276.0234 1.230486 276.5056 1.496553 276.9877 1.744053 277.4698 1.798498 277.9519 1.677595 278.4340 1.476931 278.9161 1.180574 279.3983 0.8322320 279.8804 0.6130500 280.3625 0.5052170 280.8446 0.5968610 281.3267 1.034168 281.8088 1.687937 282.2910 2.257153 282.7731 2.570560 283.2552 2.672085 283.7373 2.680262 284.2194 2.518478 284.7015 2.413752 285.1837 2.538574 285.6658 2.767118 286.1479 2.888493 286.6300 2.732197 287.1121 2.484179 287.5942 2.639688 288.0764 3.452982 288.5585 4.071821 289.0406 4.026537 289.5227 3.718437 290.0048 3.545473 290.4869 3.646954 290.9691 3.935350 291.4512 4.276396 291.9333 4.680040 292.4154 5.109781 292.8975 5.646076 293.3796 6.152412 293.8618 6.506214 294.3439 6.699020 294.8260 6.794867 295.3081 6.892576 295.7902 7.009348 296.2723 7.157249 296.7545 7.334070 297.2366 7.549721 297.7187 7.899290 298.2008 8.359241 298.6829 8.698313 299.1650 8.607405 299.6472 8.034561 300.1293 7.676048 300.6114 7.706053 301.0935 7.851889 301.5756 8.059719 302.0577 8.289896 302.5399 8.463329 303.0220 8.475935 303.5041 8.338644 303.9862 8.340828 304.4683 8.577574 304.9504 8.864475 305.4326 9.192848 305.9147 9.515018 306.3968 9.740059 306.8789 9.781227 307.3610 9.705151 307.8431 9.803329 308.3253 10.15465 308.8074 10.58025 309.2895 11.04627 309.7716 11.53360 310.2537 12.01353 310.7358 12.47244 311.2180 12.92067 311.7001 13.41006 312.1822 14.00599 312.6643 14.51494 313.1464 14.78155 313.6285 15.02785 314.1107 15.41034 314.5928 15.97478 315.0749 16.71326 315.5570 17.64461 316.0392 18.82509 316.5213 19.98683 317.0034 21.01886 317.4855 22.09771 317.9676 23.33804 318.4497 24.73646 318.9319 26.18973 319.4140 27.51032 319.8961 28.63883 320.3782 30.20320 320.8603 32.51073 321.3424 35.00354 321.8246 37.55014 322.3067 40.11427 322.7888 42.71313 323.2709 45.43377 323.7530 48.20166 324.2351 50.39072 324.7173 52.03983 325.1994 52.96052 325.6815 53.25591 326.1636 52.85518 326.6457 51.60657 327.1278 49.37237 327.6100 46.41811 328.0921 43.32893 328.5742 40.03965 329.0563 36.73767 329.5384 33.40692 330.0205 30.11245 330.5027 26.88187 330.9848 23.71053 331.4669 20.68956 331.9490 17.92533 332.4311 15.41787 332.9132 13.17144 333.3954 11.18661 333.8775 9.474766 334.3596 8.093241 334.8417 7.033777 335.3238 6.242636 335.8059 5.763380 336.2881 5.599943 336.7702 5.346182 337.2523 4.989777 337.7344 4.533875 338.2165 3.869894 338.6986 3.110756 339.1808 2.507917 339.6629 2.265816 340.1450 2.282862 340.6271 2.181387 341.1092 1.906647 341.5913 1.615803 342.0735 1.294052 342.5556 1.016895 343.0377 0.9233760 343.5198 1.116621 344.0019 1.356058 344.4840 1.171644 344.9662 0.4169600 345.4483 0.1228560 345.9304 1.2741000E-02 346.4125 0.3285850 346.8946 0.4817680 347.3767 0.4185870 347.8589 0.3307320 348.3410 0.4324700 348.8231 0.7172870 349.3052 0.9199620 349.7873 1.055395 350.2694 1.024372 350.7516 0.6320570 351.2337 1.5757000E-02 351.7158 0.4761830 352.1979 0.3562220 352.6800 0.1627080 353.1621 0.4941600 353.6443 0.6143930 354.1264 0.5745770 354.6085 0.2513850 355.0906 0.1783180 355.5727 0.4126930 356.0548 0.2642590 356.5370 1.4751000E-02 357.0191 6.9347002E-02 357.5012 0.1221470 357.9833 0.2971820 358.4654 0.3484570 358.9475 0.3239670 359.4297 0.2788470 359.9118 0.2160760 360.3939 0.1399570 360.8760 3.2028001E-02 361.3581 9.4208002E-02 361.8402 0.1591700 362.3224 0.1049330 362.8045 4.6643998E-02 363.2866 0.1676520 363.7687 0.4412610 364.2508 0.5671650 364.7329 0.3035370 365.2151 0.1442640 365.6972 0.4375760 366.1793 0.5401540 366.6614 0.5450060 367.1436 0.5017280 367.6257 0.4116900 368.1078 0.2794590 368.5899 4.5786001E-02 369.0720 0.1816920 369.5541 0.3086380 370.0363 0.3458020 370.5184 0.3498710 371.0005 0.3139040 371.4826 0.2935710 371.9647 0.4385870 372.4468 0.8620300 372.9290 1.151052 373.4111 1.048035 373.8932 0.7196540 374.3753 0.4549520 374.8574 0.3249650 375.3395 0.2948820 375.8217 0.3396150 376.3038 0.4665600 376.7859 0.6028400 377.2680 0.6843240 377.7501 0.8120330 378.2322 1.133993 378.7144 1.627853 379.1965 2.056479 379.6786 2.212721 380.1607 2.134541 380.6428 2.269382 381.1249 2.861446 381.6071 3.364075 382.0892 3.516460 382.5713 3.452326 383.0534 3.403101 383.5355 3.460487 384.0176 3.641108 384.4998 3.993338 384.9819 4.741823 385.4640 5.293730 385.9461 5.466547 386.4282 5.542343 386.9103 5.782825 387.3925 6.211596 387.8746 6.652512 388.3567 6.896423 388.8388 6.891827 389.3209 7.069160 389.8030 7.507074 390.2852 8.015112 390.7673 8.554811 391.2494 9.107265 391.7315 9.637756 392.2136 10.11826 392.6957 10.58943 393.1779 11.19456 393.6600 11.89237 394.1421 12.81290 394.6242 14.09169 395.1063 15.51411 395.5884 16.87841 396.0706 18.14064 396.5527 19.37536 397.0348 20.68858 397.5169 22.08115 397.9990 23.52052 398.4811 25.16704 398.9633 26.70024 399.4454 27.98210 399.9275 29.04021 400.4096 30.02399 400.8917 31.12023 401.3738 32.17113 401.8560 32.49355 402.3381 31.99193 402.8202 30.88617 403.3023 28.95284 403.7844 26.67161 404.2665 24.46915 404.7487 22.46594 405.2308 20.61341 405.7129 18.85584 406.1950 17.17854 406.6771 15.69728 407.1592 14.60004 407.6414 13.54482 408.1235 12.22937 408.6056 10.70614 409.0877 9.280823 409.5698 8.047270 410.0519 7.061577 410.5341 6.469236 411.0162 6.363071 411.4983 6.214336 411.9804 5.551523 412.4625 4.669996 412.9446 4.071575 413.4268 3.912426 413.9089 3.927031 414.3910 3.972151 414.8731 4.040157 415.3553 4.179838 415.8374 4.465818 416.3195 4.766558 416.8016 4.836027 417.2837 4.664383 417.7658 4.447109 418.2480 4.201153 418.7301 3.963900 419.2122 3.775476 419.6943 3.642145 420.1764 3.563347 420.6585 3.554888 421.1407 3.607523 421.6228 3.623779 422.1049 3.527102 422.5870 3.453646 423.0691 3.552025 423.5512 3.698357 424.0334 3.669136 424.5155 3.369215 424.9976 2.941107 425.4797 2.641775 425.9618 2.495214 426.4439 2.467627 426.9261 2.673546 427.4082 2.893484 427.8903 2.982946 428.3724 2.922152 428.8545 2.748909 429.3366 2.478355 429.8188 2.125025 430.3009 2.016226 430.7830 2.480150 431.2651 2.835396 431.7472 2.878698 432.2293 2.792566 432.7115 2.820040 433.1936 3.048321 433.6757 3.333555 434.1578 3.395569 434.6399 3.109770 435.1220 3.039057 435.6042 3.532066 436.0863 3.989120 436.5684 3.985300 437.0505 3.660404 437.5326 3.531418 438.0147 4.044773 438.4969 4.997900 438.9790 5.650581 439.4611 5.882462 439.9432 6.115509 440.4253 6.567007 440.9074 7.093599 441.3896 7.562542 441.8717 7.953821 442.3538 8.254517 442.8359 8.371046 443.3180 8.353039 443.8001 8.518097 444.2823 9.007050 444.7644 9.547117 445.2465 9.907701 445.7286 10.10977 446.2107 10.16678 446.6928 10.06727 447.1750 9.835459 447.6571 9.402353 448.1392 8.804491 448.6213 8.365702 449.1034 8.327682 449.5855 8.501892 450.0677 8.342897 450.5498 7.727018 451.0319 7.113256 451.5140 6.589281 451.9961 6.142830 452.4782 5.749470 452.9604 5.407032 453.4425 5.177874 453.9246 5.173870 454.4067 5.450630 454.8888 5.335279 455.3709 4.459078 455.8531 3.665462 456.3352 3.315542 456.8173 3.245571 457.2994 3.162346 457.7815 2.931345 458.2636 2.608168 458.7458 2.291567 459.2279 1.908989 459.7100 1.694689 460.1921 1.774813 460.6742 1.900427 461.1563 1.920443 461.6385 1.846239 462.1206 1.786539 462.6027 1.844021 463.0848 1.981447 463.5669 1.989096 464.0491 1.783421 464.5312 1.617559 465.0133 1.631277 465.4954 1.697193 465.9775 1.689337 466.4597 1.577059 466.9418 1.414761 467.4239 1.224573 467.9060 1.017328 468.3881 0.8859670 468.8702 0.9057220 469.3524 0.8807450 469.8345 0.4916080 470.3166 0.1003460 470.7987 0.3876360 471.2808 8.5968003E-02 471.7629 0.6586300 472.2451 0.6996670 472.7272 0.2941720 473.2093 0.1467530 473.6914 0.4889510 474.1735 0.7105410 474.6556 0.7362350 475.1378 0.5165670 475.6199 0.3068160 476.1020 9.2868999E-02 476.5841 6.1195001E-02 477.0662 6.4401999E-02 477.5483 6.6863999E-02 478.0305 0.2193090 478.5126 0.3180480 478.9947 0.3574600 479.4768 0.2820000 479.9589 0.1309660 480.4410 0.3866160 480.9232 0.2317330 481.4053 1.2272000E-02 481.8874 6.0263000E-02 482.3695 0.5114060 482.8516 0.9821380 483.3337 1.001711 483.8159 0.5026000 484.2980 0.1236060 484.7801 0.1340390 485.2622 0.2577230 485.7443 0.1841640 486.2264 8.3010001E-03 486.7086 0.2086320 487.1907 0.3791070 487.6728 0.5086840 488.1549 0.5628830 488.6370 0.5351410 489.1191 0.5402220 489.6013 0.6010720 490.0834 0.7081930 490.5655 0.8617230 491.0476 1.055012 491.5297 1.240309 492.0118 1.502129 492.4940 1.688362 492.9761 1.511093 493.4582 0.9888740 493.9403 0.5530740 494.4224 0.4154550 494.9045 0.5121520 495.3867 0.7108520 495.8688 1.083212 496.3509 1.365248 496.8330 1.447674 497.3151 1.437553 497.7972 1.428844 498.2794 1.441206 498.7615 1.481083 499.2436 1.561686 499.7257 1.677799 500.2078 1.738070 500.6899 1.701769 501.1721 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