#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:07 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1029 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000484.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_1000484 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 R050121 _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 R050121.rod _rod_data_source.block 3500000 _rod_database.code 1000484 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 132.4698 0.0000000E+00 132.9520 8.7929003E-02 133.4341 7.2525002E-02 133.9162 1.273712 134.3983 3.604050 134.8804 6.881187 135.3625 10.45837 135.8447 14.33900 136.3268 18.51933 136.8089 23.10955 137.2910 28.19662 137.7731 32.96704 138.2552 37.09818 138.7374 40.58908 139.2195 44.23643 139.7016 48.24836 140.1837 51.97471 140.6658 54.36182 141.1479 55.07823 141.6301 55.31081 142.1122 55.71468 142.5943 56.69653 143.0764 57.22983 143.5585 57.10553 144.0406 56.42210 144.5228 55.76186 145.0049 56.33179 145.4870 55.72932 145.9691 54.65098 146.4512 53.55322 146.9333 50.19936 147.4155 45.05649 147.8976 38.86882 148.3797 33.55438 148.8618 29.34047 149.3439 25.62362 149.8260 21.99929 150.3082 18.20000 150.7903 14.81036 151.2724 11.77942 151.7545 9.141068 152.2366 7.007019 152.7188 5.496544 153.2009 4.415695 153.6830 3.627647 154.1651 3.436470 154.6472 3.214951 155.1293 2.889908 155.6115 2.477638 156.0936 1.779716 156.5757 0.2056500 157.0578 1.486252 157.5399 2.442436 158.0220 1.499146 158.5042 0.6234360 158.9863 0.7935330 159.4684 2.421883 159.9505 3.407303 160.4326 2.681992 160.9147 0.9842830 161.3969 0.5894170 161.8790 1.923149 162.3611 2.856026 162.8432 3.195564 163.3253 2.719292 163.8074 2.263428 164.2896 2.182335 164.7717 2.387520 165.2538 2.704834 165.7359 2.989128 166.2180 3.388977 166.7001 4.072853 167.1823 5.209747 167.6644 6.296974 168.1465 6.931999 168.6286 7.246895 169.1107 7.612274 169.5928 8.305779 170.0750 9.119377 170.5571 9.857796 171.0392 10.48238 171.5213 10.99871 172.0034 11.31851 172.4855 11.49556 172.9677 11.75934 173.4498 12.29623 173.9319 12.99954 174.4140 13.70306 174.8961 14.26315 175.3782 14.92268 175.8604 16.11755 176.3425 17.78950 176.8246 19.37634 177.3067 20.42274 177.7888 21.09914 178.2709 21.73762 178.7531 22.46247 179.2352 23.18819 179.7173 23.76830 180.1994 24.20995 180.6815 24.62812 181.1636 25.04566 181.6458 25.50691 182.1279 26.13486 182.6100 27.02549 183.0921 28.08574 183.5742 29.26420 184.0563 30.55757 184.5385 31.65748 185.0206 32.13752 185.5027 32.09908 185.9848 32.00596 186.4669 32.00287 186.9490 32.06570 187.4312 32.14734 187.9133 32.25632 188.3954 32.31991 188.8775 32.16880 189.3596 31.83739 189.8417 31.65665 190.3239 32.04383 190.8060 32.73523 191.2881 32.93931 191.7702 32.59499 192.2523 31.98917 192.7344 31.48202 193.2166 31.07660 193.6987 30.56322 194.1808 29.86604 194.6629 28.98922 195.1450 27.87595 195.6271 26.44755 196.1093 24.98163 196.5914 23.80138 197.0735 22.89381 197.5556 22.40223 198.0377 22.55506 198.5198 23.35806 199.0020 23.91916 199.4841 24.23409 199.9662 24.31424 200.4483 24.01034 200.9304 23.20233 201.4125 22.73172 201.8947 23.19904 202.3768 24.72097 202.8589 25.64413 203.3410 25.89306 203.8231 25.66842 204.3052 25.21941 204.7874 24.45258 205.2695 23.84633 205.7516 23.62102 206.2337 23.79877 206.7158 24.12769 207.1979 24.74892 207.6801 25.41792 208.1622 25.53163 208.6443 24.91786 209.1264 24.20523 209.6085 23.68887 210.0906 23.43013 210.5728 23.18317 211.0549 22.95502 211.5370 22.73015 212.0191 22.47160 212.5012 22.15226 212.9833 21.85763 213.4655 21.60550 213.9476 21.35075 214.4297 21.27324 214.9118 21.45602 215.3939 21.74408 215.8760 21.75333 216.3581 21.39118 216.8403 20.85875 217.3224 20.15826 217.8045 19.26016 218.2866 18.54923 218.7687 18.13686 219.2508 17.94064 219.7330 17.73717 220.2151 17.49342 220.6972 17.23921 221.1793 16.98458 221.6614 16.71654 222.1435 16.49177 222.6257 16.41280 223.1078 16.35037 223.5899 15.88164 224.0720 14.70119 224.5541 13.60760 225.0362 12.96273 225.5184 12.92446 226.0005 12.97373 226.4826 13.16498 226.9647 13.42212 227.4468 13.50647 227.9289 13.26076 228.4111 13.08261 228.8932 13.19885 229.3753 13.84760 229.8574 14.22968 230.3395 14.30214 230.8216 14.10847 231.3038 13.71627 231.7859 12.91524 232.2680 12.22912 232.7501 11.91711 233.2322 12.16904 233.7143 12.35768 234.1965 12.41027 234.6786 12.41186 235.1607 12.63721 235.6428 13.32390 236.1249 13.88528 236.6070 14.01351 237.0892 13.37840 237.5713 13.03903 238.0534 13.06284 238.5355 13.36388 239.0176 13.74944 239.4997 14.35102 239.9819 14.85244 240.4640 15.09377 240.9461 14.93030 241.4282 14.84789 241.9103 14.82862 242.3924 14.89634 242.8746 15.12274 243.3567 15.59581 243.8388 16.09633 244.3209 16.56286 244.8030 17.05394 245.2851 17.33391 245.7673 17.29358 246.2494 17.08833 246.7315 17.07620 247.2136 17.43198 247.6957 17.70083 248.1778 17.61049 248.6600 16.83545 249.1421 16.74547 249.6242 17.69164 250.1063 19.13303 250.5884 19.96731 251.0705 19.77924 251.5527 19.69743 252.0348 20.25349 252.5169 21.82413 252.9990 22.63695 253.4811 22.42548 253.9632 21.63476 254.4454 21.11716 254.9275 21.22449 255.4096 20.93015 255.8917 19.88628 256.3738 18.03247 256.8560 15.66064 257.3381 12.45708 257.8202 8.983070 258.3023 5.974121 258.7844 3.410652 259.2665 1.428421 259.7487 0.1666490 260.2308 0.2631070 260.7129 0.6888120 261.1950 1.134651 261.6771 1.549454 262.1592 1.875092 262.6414 2.132271 263.1235 2.234245 263.6056 2.103615 264.0877 1.715332 264.5698 1.485886 265.0519 1.503288 265.5341 1.559258 266.0162 1.376083 266.4983 0.8542180 266.9804 0.4062040 267.4625 0.1666260 267.9446 0.1319270 268.4268 2.3856999E-02 268.9089 0.3107530 269.3910 0.6970750 269.8731 1.185905 270.3552 1.815926 270.8373 2.388176 271.3195 2.899834 271.8016 3.332550 272.2837 3.447906 272.7658 3.100288 273.2479 2.765495 273.7300 2.986320 274.2122 3.894241 274.6943 4.511093 275.1764 4.535347 275.6585 4.114548 276.1406 4.038528 276.6227 4.367065 277.1049 4.842094 277.5870 5.213394 278.0691 5.452042 278.5512 5.967499 279.0333 6.957748 279.5154 8.201950 279.9976 8.841728 280.4797 8.751945 280.9618 8.709732 281.4439 9.380104 281.9260 10.76960 282.4081 11.95467 282.8903 12.80599 283.3724 13.40174 283.8545 13.79128 284.3366 13.93118 284.8187 14.32716 285.3008 15.51702 285.7830 17.44414 286.2651 18.99937 286.7472 19.96606 287.2293 20.68970 287.7114 21.75266 288.1935 23.15335 288.6757 24.81806 289.1578 26.91049 289.6399 29.31367 290.1220 31.27824 290.6041 32.71778 291.0862 33.87715 291.5684 35.16293 292.0505 36.53476 292.5326 37.60248 293.0147 38.08059 293.4968 38.10138 293.9789 37.93633 294.4611 37.54400 294.9432 37.39280 295.4253 38.28185 295.9074 39.98972 296.3895 41.49815 296.8716 42.35706 297.3538 42.76222 297.8359 43.12750 298.3180 43.47634 298.8001 43.57887 299.2822 43.21419 299.7643 42.42696 300.2465 41.33580 300.7286 39.54359 301.2107 37.76481 301.6928 37.05479 302.1749 37.37553 302.6570 38.04163 303.1392 38.41922 303.6213 38.78724 304.1034 39.63777 304.5855 41.29950 305.0676 43.29132 305.5497 45.03974 306.0319 46.64054 306.5140 48.68174 306.9961 51.95535 307.4782 55.70545 307.9603 59.03654 308.4424 61.53305 308.9246 63.90835 309.4067 66.73098 309.8888 69.86971 310.3709 73.01084 310.8530 75.59351 311.3351 78.28757 311.8173 81.72065 312.2994 86.19206 312.7815 90.90668 313.2636 95.04762 313.7457 99.08437 314.2278 103.9094 314.7100 109.9731 315.1921 116.8466 315.6742 124.3843 316.1563 132.6010 316.6384 141.1456 317.1205 149.2105 317.6027 157.5572 318.0848 167.1087 318.5669 178.2350 319.0490 190.5220 319.5311 204.3468 320.0132 219.7930 320.4954 234.6383 320.9775 248.1927 321.4596 260.8347 321.9417 272.6724 322.4238 286.9860 322.9059 297.0931 323.3881 302.3878 323.8702 302.6272 324.3523 295.9883 324.8344 279.3734 325.3165 257.6408 325.7986 233.5430 326.2808 203.7105 326.7629 175.7546 327.2450 149.5944 327.7271 125.5363 328.2092 104.6856 328.6913 87.51998 329.1735 73.18016 329.6556 61.21125 330.1377 52.47306 330.6198 44.46074 331.1019 36.89125 331.5840 30.15264 332.0662 24.89798 332.5483 21.74605 333.0304 19.17270 333.5125 16.79422 333.9946 14.57230 334.4767 12.60567 334.9589 10.96553 335.4410 9.534683 335.9231 8.165066 336.4052 6.833179 336.8873 5.659443 337.3694 4.697006 337.8516 3.942562 338.3336 3.269688 338.8158 2.672268 339.2979 2.169319 339.7800 1.787239 340.2621 1.545208 340.7442 1.336025 341.2263 1.194801 341.7085 1.052807 342.1906 0.6041260 342.6727 0.2190740 343.1548 0.9511410 343.6369 1.266903 344.1190 1.181854 344.6012 0.9394650 345.0833 0.4944270 345.5654 4.2309001E-02 346.0475 2.1015000E-02 346.5296 0.2833600 347.0117 0.6255150 347.4939 0.8204150 347.9760 0.9110410 348.4581 1.078217 348.9402 1.357765 349.4223 1.551666 349.9044 1.374016 350.3866 0.9110260 350.8687 0.4568560 351.3508 3.2954998E-02 351.8329 0.2707140 352.3150 0.2085420 352.7971 0.2075460 353.2793 0.5590860 353.7614 0.3618240 354.2435 8.3007999E-02 354.7256 0.2608380 355.2077 0.1878050 355.6898 0.6899760 356.1720 0.7172130 356.6541 0.3490100 357.1362 6.5594003E-02 357.6183 0.4138490 358.1004 0.6741180 358.5826 0.8165170 359.0647 0.8094640 359.5468 0.7516210 360.0289 0.5751110 360.5110 0.3919940 360.9931 0.4160190 361.4753 0.9948690 361.9574 1.590828 362.4395 1.867565 362.9216 1.723118 363.4037 1.727737 363.8858 2.245396 364.3680 2.922096 364.8501 3.386833 365.3322 3.134132 365.8143 3.095795 366.2964 3.607414 366.7785 4.660870 367.2607 5.580055 367.7428 6.234161 368.2249 6.787743 368.7070 7.339970 369.1891 7.859650 369.6712 8.414558 370.1534 8.981148 370.6355 9.584633 371.1176 10.31160 371.5997 11.24002 372.0818 12.18777 372.5639 13.03728 373.0461 13.64091 373.5282 14.67118 374.0103 16.26694 374.4924 18.17614 374.9745 20.00466 375.4566 21.73801 375.9388 23.46178 376.4209 25.11381 376.9030 26.74124 377.3851 28.67336 377.8672 30.88852 378.3493 33.54164 378.8315 36.82341 379.3136 40.77102 379.7957 44.89852 380.2778 49.15620 380.7599 53.54633 381.2420 58.32169 381.7242 63.40385 382.2063 68.43666 382.6884 73.20494 383.1705 77.71233 383.6526 81.69925 384.1347 85.02042 384.6169 88.27189 385.0990 91.92639 385.5811 96.03717 386.0632 100.6289 386.5453 105.5565 387.0274 111.0564 387.5096 117.4453 387.9917 124.6916 388.4738 132.5197 388.9559 139.9389 389.4380 147.8465 389.9201 157.5719 390.4023 170.2244 390.8844 183.9170 391.3665 197.3850 391.8486 210.9064 392.3307 225.0289 392.8128 240.7254 393.2950 256.6503 393.7771 272.1824 394.2592 287.3904 394.7413 301.6061 395.2234 315.7300 395.7055 328.3888 396.1877 337.4612 396.6698 343.9146 397.1519 345.3318 397.6340 340.4135 398.1161 328.7205 398.5982 314.5220 399.0804 297.6329 399.5625 278.6120 400.0446 257.7410 400.5267 232.5885 401.0088 208.9539 401.4909 187.4889 401.9731 168.0394 402.4552 150.3429 402.9373 134.5832 403.4194 120.2957 403.9015 107.2402 404.3836 95.36431 404.8658 84.76341 405.3479 75.52798 405.8300 67.61184 406.3121 61.03082 406.7942 55.89561 407.2763 51.24652 407.7585 46.72999 408.2406 42.45953 408.7227 39.18848 409.2048 36.98816 409.6869 35.23170 410.1690 33.45515 410.6512 31.66154 411.1333 29.84791 411.6154 27.96700 412.0975 26.26891 412.5796 25.09937 413.0617 24.38325 413.5439 23.82320 414.0260 23.23318 414.5081 22.76375 414.9902 22.67133 415.4723 22.99400 415.9544 23.34063 416.4366 23.20921 416.9187 22.94282 417.4008 23.04077 417.8829 24.03946 418.3650 25.13510 418.8471 25.72266 419.3293 25.91430 419.8114 26.42253 420.2935 28.04267 420.7756 29.77664 421.2577 30.93176 421.7398 31.34845 422.2220 31.33385 422.7041 30.71542 423.1862 29.74135 423.6683 28.85455 424.1504 28.61738 424.6325 27.93332 425.1147 26.40040 425.5968 23.88523 426.0789 21.55657 426.5610 19.36290 427.0431 17.40788 427.5252 15.81078 428.0074 14.64962 428.4895 13.65882 428.9716 12.81772 429.4537 12.16095 429.9358 11.90898 430.4179 12.19318 430.9001 12.45743 431.3822 12.31172 431.8643 11.73906 432.3464 11.65502 432.8285 12.13701 433.3106 12.82571 433.7928 13.24518 434.2749 13.43968 434.7570 13.76357 435.2391 14.25161 435.7212 14.99382 436.2033 16.30251 436.6855 18.12128 437.1676 19.98119 437.6497 21.56982 438.1318 22.97594 438.6139 24.26870 439.0960 25.38227 439.5782 26.66960 440.0603 28.52409 440.5424 30.75867 441.0245 32.99194 441.5066 35.00711 441.9887 37.04073 442.4709 39.30267 442.9530 41.78320 443.4351 44.12894 443.9172 46.09891 444.3993 47.92950 444.8814 49.76649 445.3636 51.76472 445.8457 53.61599 446.3278 55.36980 446.8099 56.93904 447.2920 58.15680 447.7741 59.03680 448.2563 59.56464 448.7384 59.82500 449.2205 59.90620 449.7026 59.07143 450.1847 57.19060 450.6668 54.58118 451.1490 51.44920 451.6311 47.66206 452.1132 43.79298 452.5953 39.77507 453.0774 35.81181 453.5595 32.23799 454.0417 29.05049 454.5238 26.16415 455.0059 23.48454 455.4880 21.04716 455.9701 18.98270 456.4522 17.34740 456.9344 15.80769 457.4165 13.77666 457.8986 11.52131 458.3807 9.898933 458.8628 9.524288 459.3449 9.492699 459.8271 8.674400 460.3092 7.244289 460.7913 5.941383 461.2734 5.220413 461.7555 4.803589 462.2376 4.493866 462.7198 4.299797 463.2019 4.058689 463.6840 3.720512 464.1661 3.286297 464.6482 2.757309 465.1303 1.851513 465.6125 1.144165 466.0946 0.9140740 466.5767 1.096291 467.0588 1.098541 467.5409 0.6897160 468.0230 0.2580110 468.5052 2.5955001E-02 468.9873 0.1034130 469.4694 0.1765630 469.9515 0.2478790 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