#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:00:36 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1024 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000479.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_1000479 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 R050347 _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 R050347.rod _rod_data_source.block 3500000 _rod_database.code 1000479 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 130.9229 0.0000000E+00 131.4050 2.067444 131.8871 7.217590 132.3692 13.63800 132.8513 20.88177 133.3334 27.40900 133.8156 31.32678 134.2977 33.94312 134.7798 37.70062 135.2619 41.30756 135.7440 44.41376 136.2261 47.08386 136.7083 50.29199 137.1904 54.31110 137.6725 58.01764 138.1546 60.47980 138.6367 61.87152 139.1188 61.96008 139.6010 60.49231 140.0831 57.61945 140.5652 54.49084 141.0473 50.83221 141.5294 47.19702 142.0115 44.33905 142.4937 42.31500 142.9758 40.79547 143.4579 39.71002 143.9400 39.11896 144.4221 38.65088 144.9042 38.67889 145.3864 39.13556 145.8685 39.18890 146.3506 36.61621 146.8327 33.63049 147.3148 31.09729 147.7969 30.21863 148.2791 29.35309 148.7612 28.17963 149.2433 23.80316 149.7254 20.41376 150.2075 20.10559 150.6896 20.42596 151.1718 20.55707 151.6539 21.29797 152.1360 20.75458 152.6181 17.83380 153.1002 13.44958 153.5823 10.33948 154.0645 9.714905 154.5466 9.610962 155.0287 9.115662 155.5108 7.900574 155.9929 6.543579 156.4750 4.762756 156.9572 2.773987 157.4393 1.533936 157.9214 2.353943 158.4035 3.294250 158.8856 3.151184 159.3677 0.1204830 159.8499 2.475037 160.3320 3.547668 160.8141 3.287048 161.2962 2.808167 161.7783 2.302185 162.2604 1.830627 162.7426 1.444275 163.2247 0.9254150 163.7068 0.6904300 164.1889 0.8992310 164.6710 1.545959 165.1531 2.455078 165.6353 5.167725 166.1174 7.812439 166.5995 8.398315 167.0816 4.105591 167.5637 1.022705 168.0458 3.548706 168.5280 3.920227 169.0101 4.148193 169.4922 6.236267 169.9743 8.442444 170.4564 9.418884 170.9385 7.536499 171.4207 5.069214 171.9028 4.178589 172.3849 4.732544 172.8670 5.607483 173.3491 6.508423 173.8312 7.391418 174.3134 8.124451 174.7955 8.593628 175.2776 8.896851 175.7597 9.094543 176.2418 9.179504 176.7239 9.313171 177.2061 9.650757 177.6882 10.16278 178.1703 10.76849 178.6524 11.39105 179.1345 12.10828 179.6166 13.18640 180.0988 14.75269 180.5809 16.14801 181.0630 16.62085 181.5451 16.28259 182.0272 15.54919 182.5093 14.00507 182.9915 12.24054 183.4736 12.04749 183.9557 13.89050 184.4378 16.02460 184.9199 15.79187 185.4020 13.49744 185.8842 11.32623 186.3663 10.35516 186.8484 10.46136 187.3305 11.55640 187.8126 14.01062 188.2947 16.50397 188.7769 16.60199 189.2590 14.47913 189.7411 12.26318 190.2232 11.15179 190.7053 11.01105 191.1874 11.08844 191.6696 11.49554 192.1517 11.77771 192.6338 10.77777 193.1159 8.438965 193.5980 6.344971 194.0801 5.692078 194.5623 6.357361 195.0444 6.529114 195.5265 5.893127 196.0086 4.894104 196.4907 4.660645 196.9728 5.314392 197.4550 5.673096 197.9371 4.668030 198.4192 2.263000 198.9013 0.7756350 199.3834 0.6083980 199.8655 1.254883 200.3477 1.535217 200.8298 1.409058 201.3119 1.107849 201.7940 0.7532350 202.2761 0.3775020 202.7582 5.3955000E-02 203.2404 0.8375240 203.7225 1.653015 204.2046 0.9776000 204.6867 1.753601 205.1688 4.477417 205.6509 5.736694 206.1331 5.246704 206.6152 4.177490 207.0973 2.277527 207.5794 0.1134640 208.0615 0.4352420 208.5436 1.103271 209.0258 3.055237 209.5079 4.485413 209.9900 5.395264 210.4721 5.729370 210.9542 5.368958 211.4363 4.446350 211.9185 3.333069 212.4006 1.725464 212.8827 0.5877080 213.3648 0.6745610 213.8469 2.376526 214.3290 3.837280 214.8112 4.883606 215.2933 5.574402 215.7754 6.308716 216.2575 7.198120 216.7396 7.910583 217.2217 8.144104 217.7038 7.516357 218.1860 7.177063 218.6681 7.374756 219.1502 7.984680 219.6323 8.594482 220.1144 9.468201 220.5965 9.879700 221.0787 9.192078 221.5608 6.606812 222.0429 5.115784 222.5250 5.315125 223.0071 6.662354 223.4892 7.043335 223.9714 6.076416 224.4535 4.897156 224.9356 4.347717 225.4177 4.546509 225.8998 4.793030 226.3819 4.991821 226.8641 5.232788 227.3462 5.866821 227.8283 7.186646 228.3104 8.442749 228.7925 9.217285 229.2746 9.341064 229.7568 9.336304 230.2389 9.045044 230.7210 8.659119 231.2031 8.824158 231.6852 9.778992 232.1673 10.91730 232.6495 11.99670 233.1316 13.20892 233.6137 13.89209 234.0958 13.75586 234.5779 13.12970 235.0600 13.04242 235.5422 14.21234 236.0243 14.88928 236.5064 13.96570 236.9885 9.550659 237.4706 7.880127 237.9527 10.24335 238.4349 15.02478 238.9170 18.18195 239.3991 19.08057 239.8812 19.29803 240.3633 19.39929 240.8454 19.20282 241.3276 19.35797 241.8097 20.02759 242.2918 20.98279 242.7739 21.70886 243.2560 22.08759 243.7381 22.42236 244.2203 22.81104 244.7024 23.22961 245.1845 23.78223 245.6666 24.49957 246.1487 25.33765 246.6308 26.28729 247.1130 27.62384 247.5951 28.61792 248.0772 28.91418 248.5593 28.25598 249.0414 27.82697 249.5235 27.58350 250.0057 27.59027 250.4878 28.00940 250.9699 29.09332 251.4520 30.14014 251.9341 30.97015 252.4162 31.63153 252.8984 31.96954 253.3805 32.50421 253.8626 32.29889 254.3447 29.70569 254.8268 23.28937 255.3089 17.35480 255.7911 13.26172 256.2732 11.19830 256.7553 9.154175 257.2374 7.116577 257.7195 5.194458 258.2017 3.437256 258.6838 1.757690 259.1659 0.3628540 259.6480 0.7897950 260.1301 1.717957 260.6122 1.782227 261.0944 0.3548580 261.5765 1.114990 262.0586 0.9318850 262.5407 1.694641 263.0228 3.485352 263.5049 3.572083 263.9871 2.019409 264.4692 0.6265260 264.9513 0.5792240 265.4334 1.560608 265.9155 2.550110 266.3976 3.893677 266.8798 4.411621 267.3619 3.450928 267.8440 1.287537 268.3261 0.4071660 268.8082 1.054138 269.2903 2.451477 269.7725 4.418396 270.2546 7.408569 270.7367 8.384766 271.2188 6.069763 271.7009 1.675537 272.1830 0.3233030 272.6652 2.810486 273.1473 6.094238 273.6294 8.230469 274.1115 9.082581 274.5936 9.490784 275.0757 9.432434 275.5579 9.059875 276.0400 8.606628 276.5221 7.882507 277.0042 7.818726 277.4863 9.322205 277.9684 12.55420 278.4506 15.02789 278.9327 16.44965 279.4148 17.19452 279.8969 18.07410 280.3790 19.14624 280.8611 19.98969 281.3433 20.21356 281.8254 19.83325 282.3075 19.93817 282.7896 20.66266 283.2717 21.67175 283.7538 22.46710 284.2360 23.08276 284.7181 23.64825 285.2002 24.18115 285.6823 24.74847 286.1644 25.24713 286.6465 25.57190 287.1287 26.35315 287.6108 28.76349 288.0929 32.64905 288.5750 35.87671 289.0571 37.29688 289.5392 37.41772 290.0214 38.29663 290.5035 40.06494 290.9856 41.62543 291.4677 41.11914 291.9498 39.02142 292.4319 38.35132 292.9141 40.61975 293.3962 44.58209 293.8783 47.60944 294.3604 49.67859 294.8425 50.76788 295.3246 50.11853 295.8068 48.42279 296.2889 48.07648 296.7710 50.31287 297.2531 53.39429 297.7352 54.09985 298.2173 52.67462 298.6995 51.23639 299.1816 51.34198 299.6637 52.53473 300.1458 53.92096 300.6279 55.44775 301.1100 56.88092 301.5922 57.58435 302.0743 57.79260 302.5564 58.48022 303.0385 60.73236 303.5206 63.63715 304.0027 65.67151 304.4849 66.30579 304.9670 67.32153 305.4491 71.18097 305.9312 76.79431 306.4133 81.55017 306.8954 83.10272 307.3776 83.74951 307.8597 85.81744 308.3418 89.57239 308.8239 93.83521 309.3060 98.11389 309.7881 102.3276 310.2703 106.1934 310.7524 108.4837 311.2345 111.2732 311.7166 116.5965 312.1987 124.3729 312.6808 131.7316 313.1630 136.7567 313.6451 140.6828 314.1272 144.8652 314.6093 148.4313 315.0914 153.5022 315.5735 161.7913 316.0557 172.7731 316.5378 183.6834 317.0199 192.3140 317.5020 200.9149 317.9841 211.3676 318.4662 224.6816 318.9484 238.9167 319.4305 254.1721 319.9126 269.8293 320.3947 284.2831 320.8768 298.5634 321.3589 310.5876 321.8411 319.5443 322.3232 325.3994 322.8053 327.6477 323.2874 327.0225 323.7695 322.5249 324.2516 312.5828 324.7338 295.2231 325.2159 273.9806 325.6980 248.7990 326.1801 218.2803 326.6622 189.8873 327.1443 163.2433 327.6265 139.1306 328.1086 118.2988 328.5907 102.2801 329.0728 88.06165 329.5549 75.39972 330.0370 64.24561 330.5192 54.22150 331.0013 44.54108 331.4834 36.55499 331.9655 31.32275 332.4476 31.03082 332.9297 29.70734 333.4119 26.48608 333.8940 21.81421 334.3761 17.54401 334.8582 13.32947 335.3403 10.16864 335.8224 8.895020 336.3046 10.51587 336.7867 10.90631 337.2688 9.572815 337.7509 7.279358 338.2330 5.545288 338.7151 4.507507 339.1973 3.641846 339.6794 2.783752 340.1615 1.947632 340.6436 0.9321900 341.1257 0.4364620 341.6078 1.556030 342.0899 1.264343 342.5721 0.5989990 343.0542 1.714233 343.5363 1.171448 344.0184 0.6345210 344.5005 2.253357 344.9826 3.735779 345.4648 4.560730 345.9469 3.798523 346.4290 1.685486 346.9111 0.1965330 347.3932 0.1749270 347.8753 0.1229860 348.3575 0.3577880 348.8396 0.5427250 349.3217 0.6775510 349.8038 0.7564090 350.2859 0.8054810 350.7680 0.9548950 351.2502 1.311218 351.7323 1.455261 352.2144 0.5875850 352.6965 0.9626460 353.1786 2.166138 353.6607 2.364014 354.1429 2.017151 354.6250 1.577759 355.1071 1.070007 355.5892 0.7498170 356.0713 0.9299930 356.5534 1.418152 357.0356 1.925537 357.5177 2.452271 357.9998 2.889832 358.4819 3.113403 358.9640 3.151001 359.4461 3.138611 359.9283 3.325500 360.4104 3.389221 360.8925 2.974854 361.3746 1.509583 361.8567 0.3903200 362.3388 0.3182370 362.8210 1.000977 363.3031 1.784363 363.7852 2.772583 364.2673 3.556335 364.7494 3.856018 365.2315 3.465759 365.7137 3.241821 366.1958 3.230225 366.6779 3.512878 367.1600 4.188293 367.6421 6.171143 368.1242 7.615601 368.6064 7.724548 369.0885 6.393250 369.5706 6.160461 370.0527 8.132874 370.5348 10.35620 371.0169 11.50293 371.4991 10.30743 371.9812 10.19641 372.4633 11.72803 372.9454 14.50684 373.4275 17.17395 373.9096 19.98517 374.3918 22.30426 374.8739 23.64545 375.3560 23.71869 375.8381 24.08185 376.3202 24.42609 376.8023 25.43732 377.2845 28.49420 377.7666 33.93524 378.2487 39.43378 378.7308 44.24170 379.2129 48.43555 379.6950 51.94312 380.1772 54.69427 380.6593 57.25226 381.1414 60.06311 381.6235 63.11499 382.1056 66.61078 382.5877 70.65656 383.0699 75.03717 383.5520 79.54095 384.0341 84.15985 384.5162 88.35400 384.9983 91.06219 385.4804 93.23883 385.9626 97.29956 386.4447 103.7704 386.9268 110.5614 387.4089 114.8422 387.8910 117.8071 388.3731 122.0446 388.8553 129.8069 389.3374 138.6865 389.8195 146.0320 390.3016 151.8419 390.7837 158.2882 391.2658 166.9033 391.7480 176.6902 392.2301 186.6708 392.7122 196.9328 393.1943 206.8593 393.6764 216.3815 394.1585 225.3613 394.6407 233.1965 395.1228 239.7512 395.6049 245.1627 396.0870 249.8625 396.5691 254.4600 397.0512 256.3599 397.5334 255.4325 398.0155 251.4157 398.4976 244.0193 398.9797 231.3725 399.4618 217.1610 399.9439 201.3632 400.4261 184.0400 400.9082 168.0985 401.3903 153.4712 401.8724 140.2325 402.3545 128.5532 402.8366 119.6229 403.3188 109.8215 403.8009 98.37268 404.2830 86.39838 404.7651 76.57532 405.2472 69.38104 405.7293 62.97595 406.2115 56.43549 406.6936 49.76849 407.1757 44.88422 407.6578 42.14264 408.1399 40.21118 408.6220 37.46094 409.1042 33.90729 409.5863 30.57935 410.0684 27.59521 410.5505 25.20221 411.0326 24.25281 411.5147 24.81525 411.9969 25.40369 412.4790 24.84259 412.9611 23.44031 413.4432 21.81104 413.9253 19.89990 414.4074 18.34644 414.8896 18.10931 415.3717 18.76978 415.8538 19.33447 416.3359 18.83588 416.8180 18.37421 417.3001 19.18066 417.7823 21.23798 418.2644 23.07709 418.7465 23.81683 419.2286 24.02496 419.7107 24.18744 420.1928 24.46777 420.6750 24.69958 421.1571 24.77374 421.6392 24.72906 422.1213 24.66669 422.6034 24.93457 423.0855 24.92743 423.5677 24.40790 424.0498 23.30469 424.5319 21.79193 425.0140 19.30096 425.4961 16.73236 425.9782 14.99152 426.4604 14.51862 426.9425 14.33807 427.4246 14.56390 427.9067 15.07898 428.3888 14.52777 428.8709 11.86798 429.3531 9.982117 429.8352 11.04114 430.3173 16.03674 430.7994 18.81097 431.2815 18.67889 431.7636 17.10620 432.2458 16.18213 432.7279 15.90436 433.2100 16.25739 433.6921 17.47827 434.1742 19.29224 434.6563 20.56281 435.1385 21.28180 435.6206 22.12689 436.1027 23.80463 436.5848 26.03973 437.0669 28.28687 437.5490 30.56500 438.0312 32.67468 438.5133 34.18774 438.9954 35.35449 439.4775 36.85413 439.9596 39.59448 440.4417 42.48914 440.9239 44.48914 441.4060 45.54187 441.8881 46.52667 442.3702 47.87439 442.8523 49.41943 443.3344 51.01263 443.8166 52.60699 444.2987 54.23834 444.7808 56.12567 445.2629 58.07227 445.7450 59.53156 446.2271 60.17059 446.7093 60.43469 447.1914 60.55402 447.6735 60.72699 448.1556 60.04224 448.6377 58.07147 449.1198 55.53406 449.6020 53.14697 450.0841 51.13635 450.5662 48.89111 451.0483 46.21832 451.5304 43.24249 452.0125 40.62903 452.4947 38.48175 452.9768 36.31268 453.4589 33.88409 453.9410 31.17047 454.4231 27.81158 454.9052 23.40448 455.3874 19.47345 455.8695 18.67828 456.3516 20.51758 456.8337 21.30951 457.3158 19.43951 457.7979 16.19263 458.2801 13.59460 458.7622 11.64642 459.2443 10.27332 459.7264 9.772095 460.2085 9.717590 460.6906 9.683289 461.1728 9.716553 461.6549 9.317200 462.1370 7.744263 462.6191 5.600952 463.1012 3.796631 463.5833 2.493408 464.0655 1.756836 464.5476 1.893188 465.0297 2.778564 465.5118 3.465515 465.9939 3.708130 466.4760 3.644897 466.9582 3.362427 467.4403 3.016479 467.9224 2.125488 468.4045 2.8687000E-02 468.8866 2.427612 469.3687 3.571228 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