#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:00:32 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1023 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000478.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_1000478 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 R050305 _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 R050305.rod _rod_data_source.block 3500000 _rod_database.code 1000478 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 128.0302 0.0000000E+00 128.5123 0.6505740 128.9944 0.7742610 129.4765 0.1329730 129.9586 1.0864000E-02 130.4407 1.696609 130.9229 4.755844 131.4050 7.268066 131.8871 8.677017 132.3692 9.393600 132.8513 10.15853 133.3334 10.74660 133.8156 11.04366 134.2977 11.58406 134.7798 12.77486 135.2619 13.80341 135.7440 14.51552 136.2261 14.92797 136.7083 15.09308 137.1904 14.95646 137.6725 14.77245 138.1546 14.89331 138.6367 15.43076 139.1188 15.65836 139.6010 15.35269 140.0831 14.51732 140.5652 13.58994 141.0473 12.51099 141.5294 11.39872 142.0115 10.42383 142.4937 9.600060 142.9758 8.835663 143.4579 8.061211 143.9400 7.227158 144.4221 6.640434 144.9042 6.438095 145.3864 6.398087 145.8685 6.132263 146.3506 5.341652 146.8327 4.713234 147.3148 4.476288 147.7969 4.778038 148.2791 5.128609 148.7612 5.687904 149.2433 6.279388 149.7254 6.482719 150.2075 5.769569 150.6896 5.129364 151.1718 4.946602 151.6539 5.744682 152.1360 6.233910 152.6181 6.192383 153.1002 5.797501 153.5823 5.579285 154.0645 5.738106 154.5466 5.955742 155.0287 6.083458 155.5108 6.016388 155.9929 5.961586 156.4750 5.987495 156.9572 6.061783 157.4393 6.058037 157.9214 5.682320 158.4035 5.377747 158.8856 5.418060 159.3677 6.606010 159.8499 7.405312 160.3320 7.169395 160.8141 6.064400 161.2962 5.059853 161.7783 4.427727 162.2604 4.085434 162.7426 4.174789 163.2247 4.609215 163.7068 5.185081 164.1889 6.154984 164.6710 7.347801 165.1531 8.090660 165.6353 7.658875 166.1174 6.801743 166.5995 6.308357 167.0816 6.445122 167.5637 6.907814 168.0458 7.865425 168.5280 8.974136 169.0101 9.863190 169.4922 10.11861 169.9743 10.02014 170.4564 10.05131 170.9385 10.88380 171.4207 11.84099 171.9028 12.11199 172.3849 11.71878 172.8670 11.20462 173.3491 10.94429 173.8312 10.84848 174.3134 10.75353 174.7955 10.62520 175.2776 10.45331 175.7597 10.14237 176.2418 9.663132 176.7239 9.316490 177.2061 9.526405 177.6882 10.10724 178.1703 10.55207 178.6524 10.51709 179.1345 10.21660 179.6166 10.02480 180.0988 9.979294 180.5809 9.938301 181.0630 9.732216 181.5451 9.385658 182.0272 9.011436 182.5093 8.521126 182.9915 8.045265 183.4736 8.033157 183.9557 8.633217 184.4378 9.256950 184.9199 8.967484 185.4020 7.889412 185.8842 6.867958 186.3663 6.493576 186.8484 6.569908 187.3305 6.386864 187.8126 5.836708 188.2947 5.147171 188.7769 4.711060 189.2590 4.514320 189.7411 4.266472 190.2232 3.690361 190.7053 2.865852 191.1874 2.311012 191.6696 2.104874 192.1517 2.096832 192.6338 2.041145 193.1159 1.938629 193.5980 1.773605 194.0801 1.490326 194.5623 1.103752 195.0444 0.8352740 195.5265 0.7630000 196.0086 0.7383730 196.4907 0.3670350 196.9728 0.4022750 197.4550 1.094856 197.9371 1.364311 198.4192 1.203323 198.9013 1.132774 199.3834 1.235725 199.8655 1.414627 200.3477 1.406998 200.8298 1.172760 201.3119 0.9292910 201.7940 0.8133540 202.2761 0.8357470 202.7582 0.8703160 203.2404 0.9150700 203.7225 0.9560930 204.2046 0.9726940 204.6867 0.9823910 205.1688 0.9047850 205.6509 0.6022490 206.1331 5.1350002E-03 206.6152 0.2351380 207.0973 0.1272740 207.5794 0.8126680 208.0615 0.9205250 208.5436 0.2517170 209.0258 0.4412990 209.5079 0.6506880 209.9900 0.2492450 210.4721 1.5053000E-02 210.9542 7.9513997E-02 211.4363 2.2644000E-02 211.9185 0.2534330 212.4006 0.7217790 212.8827 1.086609 213.3648 1.039398 213.8469 0.3601840 214.3290 9.6152999E-02 214.8112 0.4600750 215.2933 1.265549 215.7754 1.862541 216.2575 2.210732 216.7396 2.426888 217.2217 2.546173 217.7038 2.503868 218.1860 2.562370 218.6681 2.768929 219.1502 3.084778 219.6323 3.383385 220.1144 3.707527 220.5965 3.939034 221.0787 3.953087 221.5608 3.562584 222.0429 3.478424 222.5250 3.827209 223.0071 4.505913 223.4892 5.148087 223.9714 5.821854 224.4535 6.363136 224.9356 6.648598 225.4177 6.500290 225.8998 6.546265 226.3819 6.949409 226.8641 7.553635 227.3462 7.748474 227.8283 7.198372 228.3104 6.749557 228.7925 6.867882 229.2746 7.815292 229.7568 8.760170 230.2389 9.751060 230.7210 10.71612 231.2031 11.37908 231.6852 11.60269 232.1673 11.72607 232.6495 11.89791 233.1316 12.10209 233.6137 12.40298 234.0958 12.87993 234.5779 13.43633 235.0600 13.76287 235.5422 13.65466 236.0243 13.61864 236.5064 13.92487 236.9885 14.86749 237.4706 15.48752 237.9527 15.64854 238.4349 15.51671 238.9170 15.48721 239.3991 15.54018 239.8812 15.72466 240.3633 16.08926 240.8454 16.75233 241.3276 17.30045 241.8097 17.70071 242.2918 17.99159 242.7739 18.21958 243.2560 18.21693 243.7381 18.41459 244.2203 19.07410 244.7024 20.56470 245.1845 21.44080 245.6666 21.40559 246.1487 20.89736 246.6308 20.77447 247.1130 21.26894 247.5951 21.77465 248.0772 22.13228 248.5593 22.42342 249.0414 22.25880 249.5235 21.49110 250.0057 20.35932 250.4878 19.21849 250.9699 18.03382 251.4520 16.89481 251.9341 15.84109 252.4162 14.87337 252.8984 13.97749 253.3805 13.27491 253.8626 12.54446 254.3447 11.43051 254.8268 9.622360 255.3089 7.913437 255.7911 6.569885 256.2732 5.636772 256.7553 4.890564 257.2374 4.381599 257.7195 3.982452 258.2017 3.545120 258.6838 3.030426 259.1659 2.611786 259.6480 2.352142 260.1301 2.253792 260.6122 2.050011 261.0944 1.687103 261.5765 1.283493 262.0586 0.9279400 262.5407 0.5488280 263.0228 0.4504620 263.5049 0.8722310 263.9871 1.796906 264.4692 2.061676 264.9513 1.301147 265.4334 0.3599320 265.9155 0.1819690 266.3976 1.157578 266.8798 1.761841 267.3619 1.527550 267.8440 0.5786440 268.3261 0.1537170 268.8082 0.4094700 269.2903 0.9019170 269.7725 1.303604 270.2546 1.608780 270.7367 1.846336 271.2188 2.011360 271.7009 2.081322 272.1830 2.044350 272.6652 1.915237 273.1473 1.757225 273.6294 1.553528 274.1115 1.265808 274.5936 1.153084 275.0757 1.265739 275.5579 1.546593 276.0400 1.853363 276.5221 2.197655 277.0042 2.521240 277.4863 2.750450 277.9684 2.868530 278.4506 3.136230 278.9327 3.609161 279.4148 4.188728 279.8969 4.721451 280.3790 5.228760 280.8611 5.560577 281.3433 5.536224 281.8254 5.158417 282.3075 4.997314 282.7896 5.096466 283.2717 5.354950 283.7538 5.561539 284.2360 5.705666 284.7181 6.078117 285.2002 6.983612 285.6823 8.329948 286.1644 9.233360 286.6465 9.622498 287.1287 9.821289 287.6108 10.20928 288.0929 10.76404 288.5750 11.28877 289.0571 11.70925 289.5392 12.04375 290.0214 12.27047 290.5035 12.37294 290.9856 12.49975 291.4677 12.74870 291.9498 13.14050 292.4319 13.78176 292.9141 14.82644 293.3962 16.06911 293.8783 17.14435 294.3604 18.05337 294.8425 18.61108 295.3246 18.34013 295.8068 17.53947 296.2889 17.25729 296.7710 17.92819 297.2531 19.01930 297.7352 19.60076 298.2173 19.72396 298.6995 19.81668 299.1816 20.22379 299.6637 20.82748 300.1458 21.36385 300.6279 21.76871 301.1100 22.13907 301.5922 22.56430 302.0743 23.04644 302.5564 23.59438 303.0385 24.01939 303.5206 24.57418 304.0027 25.76761 304.4849 27.79411 304.9670 29.86943 305.4491 31.11107 305.9312 31.79128 306.4133 32.56999 306.8954 33.77366 307.3776 35.24065 307.8597 36.82988 308.3418 38.55556 308.8239 40.30717 309.3060 41.89886 309.7881 43.49842 310.2703 45.31657 310.7524 47.85048 311.2345 50.35881 311.7166 52.09174 312.1987 53.07693 312.6808 54.29015 313.1630 56.23248 313.6451 58.72320 314.1272 61.58868 314.6093 65.00961 315.0914 68.52637 315.5735 71.82233 316.0557 74.95679 316.5378 78.25124 317.0199 81.81963 317.5020 85.59785 317.9841 89.58794 318.4662 93.62881 318.9484 98.00161 319.4305 103.0836 319.9126 108.5937 320.3947 113.7921 320.8768 118.4708 321.3589 122.7920 321.8411 126.9309 322.3232 131.1334 322.8053 134.4708 323.2874 137.0579 323.7695 138.6211 324.2516 138.7268 324.7338 137.1147 325.2159 134.1999 325.6980 130.0849 326.1801 124.7453 326.6622 118.2746 327.1443 109.9993 327.6265 100.8596 328.1086 91.75864 328.5907 82.37465 329.0728 73.52261 329.5549 65.28210 330.0370 57.62224 330.5192 50.69381 331.0013 44.47610 331.4834 38.95172 331.9655 34.05776 332.4476 29.87061 332.9297 26.18112 333.4119 23.09029 333.8940 20.50835 334.3761 18.11111 334.8582 16.00998 335.3403 13.99558 335.8224 11.87913 336.3046 9.367401 336.7867 7.689476 337.2688 7.172264 337.7509 7.255592 338.2330 6.714874 338.7151 5.316605 339.1973 4.040131 339.6794 3.293747 340.1615 3.108955 340.6436 2.924690 341.1257 2.761894 341.6078 2.563095 342.0899 2.246895 342.5721 1.815636 343.0542 1.326347 343.5363 0.7633670 344.0184 0.1648100 344.5005 0.3648300 344.9826 0.8395610 345.4648 1.111168 345.9469 0.9201130 346.4290 0.3306120 346.9111 0.1396180 347.3932 0.3957600 347.8753 0.4786150 348.3575 0.3987120 348.8396 0.1697010 349.3217 4.3701001E-02 349.8038 0.1265950 350.2859 0.1118160 350.7680 2.9602000E-02 351.2502 0.1595000 351.7323 0.2449340 352.2144 0.2139050 352.6965 1.018417 353.1786 1.553711 353.6607 1.226822 354.1429 0.5917890 354.6250 0.3945160 355.1071 0.6780850 355.5892 0.9598240 356.0713 0.7989580 356.5534 0.4090420 357.0356 0.1065060 357.5177 6.2866002E-02 357.9998 9.7465999E-02 358.4819 9.1445997E-02 358.9640 5.2444000E-02 359.4461 2.4551000E-02 359.9283 4.6654001E-02 360.4104 8.2572997E-02 360.8925 0.1040190 361.3746 0.1106720 361.8567 9.3277000E-02 362.3388 8.4389001E-02 362.8210 5.0712999E-02 363.3031 8.3587997E-02 363.7852 0.4473340 364.2673 0.8315120 364.7494 1.149170 365.2315 1.394203 365.7137 1.561745 366.1958 1.506462 366.6779 1.421501 367.1600 1.533638 367.6421 2.124290 368.1242 2.649422 368.6064 2.987503 369.0885 3.129402 369.5706 3.239471 370.0527 3.173103 370.5348 3.187675 371.0169 3.460541 371.4991 4.132118 371.9812 4.818344 372.4633 5.473274 372.9454 6.129860 373.4275 6.900864 373.9096 7.864304 374.3918 8.823547 374.8739 9.694473 375.3560 10.50937 375.8381 11.08743 376.3202 11.27663 376.8023 11.41708 377.2845 12.04037 377.7666 13.18932 378.2487 14.57751 378.7308 16.18510 379.2129 17.96814 379.6950 19.35674 380.1772 20.25731 380.6593 21.30154 381.1414 23.25063 381.6235 25.98790 382.1056 28.56207 382.5877 30.66506 383.0699 32.63176 383.5520 35.06074 384.0341 37.95310 384.5162 41.09188 384.9983 44.68291 385.4804 48.40472 385.9626 51.46687 386.4447 53.68289 386.9268 55.82327 387.4089 58.53848 387.8910 61.78486 388.3731 65.40527 388.8553 69.55112 389.3374 73.90747 389.8195 78.01384 390.3016 81.85046 390.7837 86.05187 391.2658 91.13582 391.7480 96.68401 392.2301 102.2629 392.7122 107.6791 393.1943 113.2017 393.6764 118.8273 394.1585 124.6348 394.6407 130.7269 395.1228 137.6505 395.6049 144.5040 396.0870 150.8606 396.5691 156.4721 397.0512 162.1111 397.5334 168.7895 398.0155 175.3216 398.4976 180.1419 398.9797 182.6562 399.4618 183.9694 399.9439 184.7495 400.4261 184.9894 400.9082 182.2446 401.3903 175.2050 401.8724 166.4172 402.3545 157.3617 402.8366 148.1540 403.3188 138.5904 403.8009 128.5531 404.2830 118.2695 404.7651 108.0713 405.2472 97.82058 405.7293 88.25961 406.2115 79.69678 406.6936 72.21317 407.1757 65.35928 407.6578 59.09067 408.1399 53.53961 408.6220 48.93019 409.1042 45.24617 409.5863 41.75345 410.0684 38.19107 410.5505 34.70005 411.0326 31.44140 411.5147 28.46751 411.9969 26.09122 412.4790 24.75948 412.9611 24.06958 413.4432 23.12106 413.9253 21.77055 414.4074 20.35944 414.8896 19.16161 415.3717 18.14585 415.8538 17.27969 416.3359 16.78855 416.8180 16.35943 417.3001 15.58663 417.7823 14.45196 418.2644 13.47239 418.7465 12.95554 419.2286 12.73589 419.7107 12.65086 420.1928 12.81278 420.6750 12.83771 421.1571 12.39112 421.6392 11.69524 422.1213 11.31113 422.6034 11.95158 423.0855 12.47048 423.5677 12.26614 424.0498 11.00870 424.5319 10.09393 425.0140 9.879265 425.4961 9.937851 425.9782 9.830627 426.4604 9.447098 426.9425 9.039635 427.4246 8.522675 427.9067 7.973137 428.3888 8.041000 428.8709 9.094299 429.3531 10.11411 429.8352 10.50346 430.3173 10.13081 430.7994 9.737541 431.2815 9.302338 431.7636 8.915306 432.2458 8.636681 432.7279 8.444862 433.2100 8.737953 433.6921 9.910515 434.1742 11.64034 434.6563 12.66695 435.1385 12.98716 435.6206 13.11258 436.1027 13.43378 436.5848 13.90397 437.0669 14.39273 437.5490 14.86965 438.0312 15.37905 438.5133 16.10036 438.9954 16.92007 439.4775 17.52068 439.9596 17.51333 440.4417 17.35969 440.9239 17.44812 441.4060 17.80206 441.8881 18.32518 442.3702 19.18481 442.8523 20.07992 443.3344 20.72915 443.8166 21.06844 444.2987 21.13638 444.7808 20.71255 445.2629 19.99404 445.7450 19.55676 446.2271 20.20879 446.7093 20.56763 447.1914 19.97214 447.6735 17.97309 448.1556 16.42721 448.6377 15.56033 449.1198 15.00800 449.6020 14.42410 450.0841 13.84181 450.5662 13.16603 451.0483 12.27378 451.5304 11.27967 452.0125 10.78656 452.4947 10.94849 452.9768 11.12266 453.4589 10.91402 453.9410 10.30819 454.4231 9.803696 454.9052 9.422569 455.3874 9.082458 455.8695 8.648689 456.3516 8.137871 456.8337 7.698036 457.3158 7.417122 457.7979 7.194649 458.2801 6.748337 458.7622 6.132164 459.2443 5.713791 459.7264 6.004128 460.2085 6.548653 460.6906 6.757095 461.1728 6.528534 461.6549 6.049721 462.1370 5.325172 462.6191 4.467812 463.1012 3.659149 463.5833 2.762199 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