#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:38:04 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1200 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000614.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_1000614 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 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 R050347.rod _rod_data_source.block 3500000 _rod_database.code 1000614 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 127.7179 0.0000000E+00 128.2001 1.9928001E-02 128.6822 0.6069560 129.1643 1.573769 129.6464 2.742409 130.1285 3.518738 130.6107 3.315132 131.0928 3.173248 131.5749 3.309212 132.0570 3.704582 132.5391 4.230377 133.0212 4.760109 133.5034 5.260490 133.9855 5.947250 134.4676 6.923531 134.9497 7.979362 135.4318 9.098618 135.9139 10.24937 136.3960 11.25169 136.8782 11.80406 137.3603 11.76306 137.8424 12.05541 138.3245 13.07370 138.8066 14.32884 139.2887 15.32438 139.7709 15.99537 140.2530 16.26330 140.7351 15.78397 141.2172 14.58333 141.6993 13.64584 142.1814 13.68479 142.6636 14.21305 143.1457 14.70418 143.6278 14.56847 144.1099 14.38136 144.5920 15.01546 145.0741 15.99752 145.5563 16.80543 146.0384 16.85894 146.5205 15.63221 147.0026 14.23543 147.4847 13.08179 147.9668 12.05891 148.4490 11.04048 148.9311 10.06786 149.4132 9.027000 149.8953 7.953491 150.3774 6.879417 150.8595 5.945450 151.3417 5.235596 151.8238 4.591011 152.3059 3.830589 152.7880 2.919502 153.2701 1.986572 153.7522 1.345032 154.2344 1.443085 154.7165 1.371567 155.1986 0.9263230 155.6807 0.3392560 156.1628 7.7506997E-02 156.6449 0.1547320 157.1271 9.3149999E-03 157.6092 8.0180001E-03 158.0913 0.3350520 158.5734 0.6137310 159.0555 0.6575010 159.5376 0.5396580 160.0198 0.4717030 160.5019 0.6135100 160.9840 0.8616640 161.4661 0.8521960 161.9482 0.3066410 162.4303 0.2169950 162.9125 0.2413480 163.3946 0.2243730 163.8767 0.6418910 164.3588 0.6846080 164.8409 0.4499210 165.3230 9.0797000E-02 165.8052 0.5283890 166.2873 1.134659 166.7694 1.294464 167.2515 0.8645480 167.7336 0.4377750 168.2157 0.3438800 168.6979 0.4204250 169.1800 0.4505690 169.6621 0.2270200 170.1442 3.8596999E-02 170.6263 0.3437270 171.1084 2.031677 171.5906 3.304115 172.0727 3.426239 172.5548 2.898460 173.0369 2.401062 173.5190 2.369339 174.0011 2.741104 174.4833 3.011185 174.9654 2.985374 175.4475 3.056793 175.9296 3.491165 176.4117 4.093010 176.8938 4.465866 177.3760 4.271370 177.8581 3.486488 178.3402 3.113556 178.8223 3.354561 179.3044 3.753540 179.7865 4.288971 180.2687 4.874641 180.7508 5.337158 181.2329 5.521072 181.7150 5.398109 182.1971 5.230515 182.6792 4.879295 183.1614 4.602570 183.6435 4.559380 184.1256 4.751686 184.6077 5.075821 185.0898 5.477753 185.5719 6.011757 186.0541 6.445847 186.5362 6.865456 187.0183 7.125587 187.5004 6.965561 187.9825 6.330986 188.4646 5.733414 188.9468 5.723038 189.4289 6.171356 189.9110 6.583908 190.3931 6.862953 190.8752 7.038864 191.3573 7.217270 191.8395 7.493362 192.3216 7.508865 192.8037 6.724304 193.2858 5.459709 193.7679 4.441948 194.2500 4.165543 194.7322 4.406494 195.2143 4.428658 195.6964 4.125038 196.1785 3.735634 196.6606 3.298088 197.1427 2.878731 197.6249 2.634220 198.1070 2.712036 198.5891 3.081017 199.0712 3.436954 199.5533 3.842949 200.0354 4.158684 200.5176 4.303318 200.9997 4.314240 201.4818 4.281487 201.9639 4.298767 202.4460 4.381794 202.9281 4.345192 203.4103 3.938110 203.8924 3.516155 204.3745 3.156422 204.8566 2.912460 205.3387 2.859745 205.8208 3.010033 206.3030 3.327690 206.7851 3.673187 207.2672 4.154884 207.7493 4.625893 208.2314 5.084232 208.7135 5.458035 209.1957 5.597561 209.6778 5.373062 210.1599 4.713921 210.6420 4.459827 211.1241 4.878082 211.6062 5.323044 212.0884 5.479908 212.5705 5.360527 213.0526 5.185131 213.5347 5.146164 214.0168 5.257462 214.4989 5.318401 214.9811 5.395428 215.4632 5.391663 215.9453 5.135120 216.4274 4.651913 216.9095 4.256504 217.3916 4.276459 217.8737 4.716927 218.3559 4.912525 218.8380 4.601528 219.3201 4.209576 219.8022 4.203663 220.2843 4.610416 220.7664 4.933430 221.2486 4.618942 221.7307 3.845329 222.2128 3.429485 222.6949 3.837948 223.1770 4.506805 223.6591 4.751297 224.1413 4.485077 224.6234 4.152367 225.1055 4.051952 225.5876 4.109089 226.0697 4.214840 226.5518 4.342602 227.0340 4.505173 227.5161 4.736187 227.9982 5.051941 228.4803 5.369118 228.9624 5.575817 229.4445 5.745861 229.9267 5.991749 230.4088 6.379105 230.8909 6.840252 231.3730 7.293415 231.8551 7.830338 232.3372 8.115440 232.8194 7.756592 233.3015 7.171280 233.7836 6.854755 234.2657 7.044987 234.7478 7.561150 235.2299 8.033619 235.7121 8.525848 236.1942 8.825729 236.6763 8.661404 237.1584 8.391609 237.6405 8.456928 238.1227 9.091877 238.6048 9.995594 239.0869 10.34995 239.5690 9.691818 240.0511 9.292645 240.5332 9.667652 241.0154 10.25953 241.4975 10.43535 241.9796 9.917149 242.4617 9.069241 242.9438 8.855030 243.4259 9.927849 243.9081 10.61226 244.3902 10.41117 244.8723 9.926792 245.3544 9.741268 245.8365 10.07815 246.3186 10.72811 246.8008 11.22284 247.2829 11.50654 247.7650 11.68632 248.2471 11.61892 248.7292 11.53220 249.2113 11.72549 249.6935 12.27931 250.1756 12.90884 250.6577 13.03927 251.1398 12.07226 251.6219 11.45676 252.1040 11.50656 252.5862 11.72823 253.0683 11.72188 253.5504 11.36255 254.0325 10.72552 254.5146 9.925797 254.9967 8.907566 255.4789 7.804787 255.9610 6.529823 256.4431 5.232357 256.9252 3.976025 257.4073 2.789032 257.8894 1.785469 258.3716 1.145107 258.8537 1.084137 259.3358 0.8384860 259.8179 7.2665997E-02 260.3000 0.6788860 260.7821 0.8214570 261.2643 0.2860640 261.7464 0.3207860 262.2285 0.2791560 262.7106 0.6255610 263.1927 1.123466 263.6748 0.8422970 264.1570 0.3698730 264.6391 0.2453190 265.1212 0.5118410 265.6033 0.7763520 266.0854 0.6209870 266.5675 2.6974000E-02 267.0497 0.2999230 267.5318 4.3460999E-02 268.0139 0.2792360 268.4960 0.2250020 268.9781 0.2219430 269.4602 0.7604370 269.9424 1.227467 270.4245 1.587605 270.9066 1.747002 271.3887 1.493565 271.8708 1.197777 272.3529 1.089840 272.8351 1.174995 273.3172 1.482769 273.7993 2.169205 274.2814 3.062244 274.7635 3.625225 275.2456 3.664227 275.7278 3.579967 276.2099 3.618618 276.6920 3.770412 277.1741 3.974857 277.6562 4.255081 278.1383 4.537949 278.6205 4.657406 279.1026 4.504089 279.5847 4.421734 280.0668 4.699383 280.5489 5.284775 281.0310 5.842243 281.5132 6.234501 281.9953 6.559864 282.4774 6.931839 282.9595 7.337391 283.4416 7.855968 283.9237 8.692448 284.4059 9.726990 284.8880 10.39523 285.3701 10.32403 285.8522 10.17818 286.3343 10.75572 286.8164 12.01405 287.2986 13.14304 287.7807 13.52325 288.2628 13.41441 288.7449 13.67981 289.2270 14.55527 289.7091 15.62701 290.1913 16.72346 290.6734 17.77032 291.1555 18.48042 291.6376 18.47680 292.1197 18.06385 292.6018 18.04244 293.0840 18.68415 293.5661 19.17170 294.0482 18.76735 294.5303 17.84647 295.0124 17.07066 295.4945 16.72985 295.9767 16.69667 296.4588 16.80979 296.9409 17.13397 297.4230 17.39471 297.9051 17.33773 298.3872 17.15916 298.8694 17.10095 299.3515 17.27792 299.8336 17.54053 300.3157 17.65393 300.7978 17.57221 301.2799 17.56846 301.7621 17.86427 302.2442 18.23860 302.7263 18.41352 303.2084 18.28482 303.6905 18.29274 304.1726 19.06680 304.6548 20.65104 305.1369 21.87041 305.6190 22.03162 306.1011 22.06343 306.5832 22.76505 307.0653 24.16716 307.5475 25.58096 308.0296 26.45125 308.5117 26.81293 308.9938 27.06912 309.4759 27.09217 309.9580 27.23774 310.4402 27.75130 310.9223 28.57759 311.4044 29.50124 311.8865 30.30717 312.3686 31.07565 312.8507 32.20766 313.3329 33.86917 313.8150 35.63042 314.2971 37.39389 314.7792 39.08218 315.2613 40.53389 315.7434 41.57865 316.2256 42.41733 316.7077 43.45238 317.1898 44.67304 317.6719 46.14193 318.1540 48.01175 318.6361 50.08402 319.1183 52.15952 319.6004 54.16497 320.0825 56.13790 320.5646 58.15722 321.0467 60.27288 321.5288 62.30864 322.0110 64.63138 322.4931 66.53779 322.9752 67.48495 323.4573 67.38825 323.9394 66.37288 324.4215 64.49248 324.9037 61.74001 325.3858 58.23894 325.8679 53.70820 326.3500 48.67177 326.8321 43.30595 327.3142 37.69414 327.7964 32.37370 328.2785 27.65547 328.7606 23.51978 329.2427 19.81521 329.7248 16.50642 330.2069 13.73825 330.6891 11.67980 331.1712 10.15477 331.6533 8.798599 332.1354 7.391479 332.6175 6.077637 333.0996 5.231846 333.5818 5.001785 334.0639 4.747383 334.5460 4.016777 335.0281 3.126949 335.5102 2.431309 335.9923 2.031071 336.4745 1.813869 336.9566 1.691582 337.4387 1.672760 337.9208 1.614513 338.4029 1.474377 338.8850 1.265228 339.3671 0.9624710 339.8492 0.5512620 340.3314 0.2105140 340.8135 0.1332320 341.2956 0.2704810 341.7777 0.3119850 342.2598 0.1505010 342.7419 4.4468001E-02 343.2241 0.1301800 343.7062 0.1218150 344.1883 8.4891997E-02 344.6704 2.9716000E-02 345.1525 2.9072000E-02 345.6346 7.3390998E-02 346.1168 0.1192360 346.5989 9.6256003E-02 347.0810 0.1645890 347.5631 0.5215800 348.0452 0.7116090 348.5273 0.5904770 349.0095 0.3440170 349.4916 0.1467860 349.9737 1.4990000E-03 350.4558 5.8254000E-02 350.9379 8.2053997E-02 351.4200 0.2756610 351.9022 0.2599720 352.3843 7.6149002E-02 352.8664 0.3443410 353.3485 0.2004700 353.8306 0.2488480 354.3127 0.5821380 354.7949 0.6769830 355.2770 0.6268080 355.7591 0.5145340 356.2412 0.3401220 356.7233 0.2187390 357.2054 0.2616270 357.6876 0.3610190 358.1697 0.3401570 358.6518 0.1688690 359.1339 7.0796996E-02 359.6160 0.3617210 360.0981 0.6758230 360.5803 0.8540270 361.0624 0.7444840 361.5445 0.5911180 362.0266 0.5250130 362.5087 0.5647160 362.9908 0.8555150 363.4730 1.603710 363.9551 2.584278 364.4372 3.126904 364.9193 3.107838 365.4014 2.907207 365.8835 2.490486 366.3657 2.019699 366.8478 1.873726 367.3299 2.219398 367.8120 2.756935 368.2941 2.968601 368.7762 2.719326 369.2584 2.757549 369.7405 3.481537 370.2226 4.365559 370.7047 4.827972 371.1868 4.821495 371.6689 4.788975 372.1511 5.117416 372.6332 5.831806 373.1153 6.631298 373.5974 7.672588 374.0795 8.644634 374.5616 9.282578 375.0438 9.724743 375.5259 10.33856 376.0080 11.32736 376.4901 12.61137 376.9722 13.91317 377.4543 15.19062 377.9365 16.53486 378.4186 17.99527 378.9007 19.51035 379.3828 21.00349 379.8649 22.45430 380.3470 23.89336 380.8292 25.36280 381.3113 26.88709 381.7934 28.38571 382.2755 29.79140 382.7576 31.23380 383.2397 32.90901 383.7219 34.71657 384.2040 36.25165 384.6861 37.11010 385.1682 37.37925 385.6503 38.44314 386.1324 41.23760 386.6146 43.82211 387.0967 45.78313 387.5788 47.35947 388.0609 48.71358 388.5430 49.91794 389.0251 51.35340 389.5073 53.92559 389.9894 58.46380 390.4715 62.41876 390.9536 65.15128 391.4357 67.72676 391.9178 70.86053 392.4000 74.58253 392.8821 78.46819 393.3642 82.16956 393.8463 85.69511 394.3284 88.92188 394.8105 91.84763 395.2927 94.46568 395.7748 96.85960 396.2569 98.94289 396.7390 100.6715 397.2211 102.1133 397.7032 102.9852 398.1854 102.6599 398.6675 101.0717 399.1496 98.46464 399.6317 94.46330 400.1138 89.71107 400.5959 84.49287 401.0781 78.88495 401.5602 73.19954 402.0423 67.65839 402.5244 62.28548 403.0065 57.22669 403.4886 52.57243 403.9708 48.17681 404.4529 43.84034 404.9350 39.63093 405.4171 35.73256 405.8992 32.20156 406.3813 29.10034 406.8635 26.50618 407.3456 24.42659 407.8277 22.71865 408.3098 21.44569 408.7919 20.42809 409.2740 19.32128 409.7562 18.00823 410.2383 16.90803 410.7204 16.42095 411.2025 16.33140 411.6846 15.95956 412.1667 15.05987 412.6489 14.10180 413.1310 13.67686 413.6131 13.73278 414.0952 13.89254 414.5773 14.37744 415.0594 14.78587 415.5416 14.54409 416.0237 13.73902 416.5058 13.23925 416.9879 13.71509 417.4700 14.93925 417.9521 15.65274 418.4343 15.47008 418.9164 15.25446 419.3985 15.17439 419.8806 15.27503 420.3627 15.68021 420.8448 16.40977 421.3270 17.16712 421.8091 17.55601 422.2912 17.50410 422.7733 17.25467 423.2554 16.74609 423.7375 16.11406 424.2197 15.43196 424.7018 14.70027 425.1839 13.85471 425.6660 12.81326 426.1481 11.65595 426.6302 10.93800 427.1124 11.08274 427.5945 11.14055 428.0766 10.95114 428.5587 10.62082 429.0408 10.24101 429.5229 9.852230 430.0051 9.566147 430.4872 9.616585 430.9693 10.15282 431.4514 10.40229 431.9335 9.956184 432.4156 9.557682 432.8978 9.545547 433.3799 9.845802 433.8620 10.21352 434.3441 10.49714 434.8262 10.77851 435.3083 11.17135 435.7905 11.60614 436.2726 12.15002 436.7547 13.00325 437.2368 13.87178 437.7189 14.43562 438.2010 14.61809 438.6832 14.77448 439.1653 15.22151 439.6474 15.91230 440.1295 16.61024 440.6116 17.30499 441.0938 17.94841 441.5759 18.47839 442.0580 18.92057 442.5401 19.34304 443.0222 19.72728 443.5043 20.12363 443.9865 20.64759 444.4686 21.27085 444.9507 21.74437 445.4328 21.91161 445.9149 21.89634 446.3970 21.99461 446.8792 22.27061 447.3613 22.45920 447.8434 22.69112 448.3255 22.70259 448.8076 22.10774 449.2897 20.85719 449.7719 19.25775 450.2540 17.50398 450.7361 15.56466 451.2182 14.21721 451.7003 13.85477 452.1824 13.55647 452.6646 13.03130 453.1467 12.33102 453.6288 11.55510 454.1109 10.74466 454.5930 9.938179 455.0751 9.216354 455.5573 8.686756 456.0394 8.026440 456.5215 7.096333 457.0036 6.175999 457.4857 5.367203 457.9678 4.710938 458.4500 4.257515 458.9321 4.088821 459.4142 4.141388 459.8963 4.034126 460.3784 3.698151 460.8605 3.318813 461.3427 2.962299 461.8248 2.580860 462.3069 2.056572 462.7890 1.361530 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