#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:37:57 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1198 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000612.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_1000612 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 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 R050305.rod _rod_data_source.block 3500000 _rod_database.code 1000612 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 127.2358 0.0000000E+00 127.7179 0.2207640 128.2001 1.752319 128.6822 3.203644 129.1643 3.734207 129.6464 3.397079 130.1285 3.255814 130.6107 3.594803 131.0928 3.811661 131.5749 3.702347 132.0570 3.382538 132.5391 2.992569 133.0212 2.633255 133.5034 2.263733 133.9855 2.213623 134.4676 2.604950 134.9497 3.145508 135.4318 3.836380 135.9139 4.615662 136.3961 5.414551 136.8782 5.724823 137.3603 4.775589 137.8424 4.282745 138.3245 4.451584 138.8066 4.889603 139.2888 5.102554 139.7709 4.978271 140.2530 4.684525 140.7351 4.494858 141.2172 4.419922 141.6993 4.233765 142.1815 3.842331 142.6636 3.297379 143.1457 2.781326 143.6278 2.402756 144.1099 1.979187 144.5920 1.246597 145.0742 0.2347870 145.5563 0.6234280 146.0384 0.8474580 146.5205 0.3517300 147.0026 2.0081000E-02 147.4847 3.5370000E-02 147.9668 0.1581270 148.4490 0.1721950 148.9311 3.4790002E-02 149.4132 0.2021330 149.8953 0.4614870 150.3774 0.8114930 150.8595 1.034424 151.3417 0.9543910 151.8238 0.8513340 152.3059 1.031403 152.7880 1.594162 153.2701 2.301422 153.7522 2.544525 154.2344 1.478073 154.7165 0.8967440 155.1986 1.151306 155.6807 1.846451 156.1628 2.518341 156.6449 2.938919 157.1271 3.168884 157.6092 3.353500 158.0913 3.442093 158.5734 3.438202 159.0555 3.286362 159.5376 3.089859 160.0198 3.117004 160.5019 3.575119 160.9840 4.325729 161.4661 4.770691 161.9482 4.762772 162.4303 4.989456 162.9125 5.169586 163.3946 5.255737 163.8767 5.486862 164.3588 5.236221 164.8409 4.838974 165.3230 4.582458 165.8052 4.526886 166.2873 4.571930 166.7694 4.955292 167.2515 5.860260 167.7336 6.661697 168.2157 7.107224 168.6979 7.198303 169.1800 6.912872 169.6621 6.067711 170.1442 5.014900 170.6263 4.993889 171.1084 6.770058 171.5906 7.954887 172.0727 8.147034 172.5548 7.862297 173.0369 7.643051 173.5190 7.675018 174.0011 8.031532 174.4833 8.162331 174.9654 7.783890 175.4475 7.447777 175.9296 7.273376 176.4117 7.209320 176.8938 7.145393 177.3760 6.991165 177.8581 6.748726 178.3402 6.804543 178.8223 7.687576 179.3044 8.332123 179.7865 8.229668 180.2687 7.520538 180.7508 6.687538 181.2329 6.137856 181.7150 5.901901 182.1971 5.610901 182.6792 5.195137 183.1614 4.791367 183.6435 4.473183 184.1256 4.245987 184.6077 4.092499 185.0898 4.117676 185.5719 4.265648 186.0541 4.074722 186.5362 3.210205 187.0183 2.186745 187.5004 1.410774 187.9825 0.9158710 188.4646 0.7386550 188.9468 1.130859 189.4289 1.940880 189.9110 2.553032 190.3931 2.776833 190.8752 2.737892 191.3573 2.577660 191.8395 2.243462 192.3216 1.967140 192.8037 2.031387 193.2858 2.298851 193.7679 2.451546 194.2500 2.236649 194.7322 1.785172 195.2143 1.585999 195.6964 1.980164 196.1785 2.081375 196.6606 1.046852 197.1427 0.6243740 197.6249 1.801056 198.1070 1.421509 198.5891 0.2926710 199.0712 1.104553 199.5533 3.7310000E-03 200.0354 0.9320070 200.5176 0.7193600 200.9997 0.3144000 201.4818 1.402397 201.9639 1.977272 202.4460 2.034668 202.9281 1.843071 203.4103 0.8152310 203.8924 2.5185000E-02 204.3745 3.6476001E-02 204.8566 0.4726640 205.3387 1.130653 205.8208 1.607437 206.3030 1.909081 206.7851 1.965469 207.2672 1.589638 207.7493 1.178162 208.2314 0.7601930 208.7135 0.4141240 209.1957 0.3238830 209.6778 0.7117540 210.1599 1.680977 210.6420 2.343109 211.1241 2.585785 211.6062 2.667854 212.0884 2.871735 212.5705 3.114861 213.0526 2.903267 213.5347 1.589752 214.0168 1.028503 214.4989 2.169601 214.9811 0.7088390 215.4632 1.204056 215.9453 2.309669 216.4274 2.503029 216.9095 2.112793 217.3916 1.147614 217.8738 0.3429260 218.3559 0.8146440 218.8380 0.6463780 219.3201 2.554779 219.8022 3.659058 220.2843 3.866707 220.7665 3.760628 221.2486 3.745102 221.7307 3.782036 222.2128 3.726349 222.6949 3.435822 223.1770 3.104561 223.6592 2.912857 224.1413 2.855820 224.6234 3.008255 225.1055 3.659103 225.5876 4.540962 226.0697 5.163986 226.5519 5.377480 227.0340 5.278053 227.5161 4.843384 227.9982 3.879417 228.4803 3.264626 228.9624 3.809944 229.4446 4.943001 229.9267 5.993889 230.4088 6.811401 230.8909 7.331696 231.3730 7.301476 231.8551 6.425674 232.3373 5.754410 232.8194 5.937454 233.3015 6.481491 233.7836 6.802025 234.2657 6.609406 234.7478 6.137688 235.2300 5.899048 235.7121 5.922050 236.1942 6.146843 236.6763 6.809715 237.1584 7.532257 237.6405 7.845947 238.1227 7.500740 238.6048 6.821053 239.0869 6.662148 239.5690 7.371254 240.0511 8.014870 240.5332 8.471069 241.0154 8.761856 241.4975 8.825249 241.9796 8.628281 242.4617 8.360497 242.9438 8.537331 243.4259 9.621307 243.9081 10.42786 244.3902 10.79329 244.8723 10.86491 245.3544 10.71754 245.8365 10.38925 246.3186 9.989616 246.8008 9.777069 247.2829 9.973396 247.7650 10.04007 248.2471 9.972488 248.7292 9.762138 249.2113 9.339119 249.6935 8.693916 250.1756 7.972786 250.6577 7.470566 251.1398 7.410049 251.6219 7.265190 252.1040 6.829857 252.5862 6.417755 253.0683 6.543030 253.5504 7.297928 254.0325 7.996414 254.5146 7.439041 254.9967 4.327438 255.4789 2.186226 255.9610 1.690742 256.4431 1.999107 256.9252 2.340706 257.4073 2.478737 257.8894 2.421669 258.3716 2.274216 258.8537 2.021591 259.3358 1.845947 259.8179 1.689346 260.3000 1.613098 260.7821 1.752014 261.2643 2.100960 261.7464 2.378601 262.2285 2.235489 262.7106 1.527252 263.1927 1.357155 263.6748 2.400688 264.1570 3.555923 264.6391 3.688850 265.1212 2.730148 265.6033 1.779572 266.0854 2.029953 266.5675 3.533165 267.0497 4.160934 267.5318 2.885620 268.0139 1.420731 268.4960 1.330048 268.9781 2.632133 269.4602 3.949097 269.9424 4.270859 270.4245 3.644409 270.9066 2.958832 271.3887 1.951172 271.8708 0.9969180 272.3529 0.5761030 272.8351 0.8125690 273.3172 1.192436 273.7993 1.389000 274.2814 1.417831 274.7635 1.400978 275.2456 1.196335 275.7278 1.052917 276.2099 1.340973 276.6920 2.092392 277.1741 2.635406 277.6562 2.507805 278.1383 2.072327 278.6205 2.105659 279.1026 2.813286 279.5847 3.635857 280.0668 4.348351 280.5489 4.926819 281.0310 4.840775 281.5132 3.490723 281.9953 1.835709 282.4774 1.211006 282.9595 1.736275 283.4416 2.471146 283.9237 2.874420 284.4059 3.033844 284.8880 3.330536 285.3701 3.922798 285.8522 4.585831 286.3343 5.141136 286.8164 5.602173 287.2986 6.045013 287.7807 6.623314 288.2628 7.227325 288.7449 7.447777 289.2270 7.083656 289.7091 6.583374 290.1913 6.212669 290.6734 5.988701 291.1555 6.009651 291.6376 6.430397 292.1197 7.118149 292.6018 7.829819 293.0840 8.659996 293.5661 9.249168 294.0482 9.338890 294.5303 9.079575 295.0124 8.673813 295.4945 7.976875 295.9767 7.231110 296.4588 7.038284 296.9409 7.666260 297.4230 8.187271 297.9051 7.988571 298.3872 7.472099 298.8694 7.046692 299.3515 6.757538 299.8336 6.659286 300.3157 7.015091 300.7978 7.959007 301.2799 8.692741 301.7621 8.936516 302.2442 8.795845 302.7263 8.136047 303.2084 6.819542 303.6905 5.714050 304.1726 6.024994 304.6548 7.846031 305.1369 8.981247 305.6190 8.255135 306.1011 7.166016 306.5832 6.955482 307.0653 7.680138 307.5475 8.432198 308.0296 8.331558 308.5117 7.473251 308.9938 7.046158 309.4759 7.505272 309.9580 8.079109 310.4402 8.165794 310.9223 7.886223 311.4044 7.727394 311.8865 8.154991 312.3686 8.994186 312.8507 9.406677 313.3329 9.018654 313.8150 8.826317 314.2971 9.581993 314.7792 10.86468 315.2613 11.88898 315.7434 12.16789 316.2256 12.05720 316.7077 12.37617 317.1898 13.31250 317.6719 14.16431 318.1540 14.49435 318.6361 14.62862 319.1183 14.91050 319.6004 15.45468 320.0825 16.14184 320.5646 16.91553 321.0467 17.84453 321.5288 18.43427 322.0110 18.08623 322.4931 17.59336 322.9752 17.67303 323.4573 18.44852 323.9394 19.24464 324.4215 19.43160 324.9037 19.01300 325.3858 18.46137 325.8679 17.90002 326.3500 17.15276 326.8321 16.08721 327.3142 14.72613 327.7964 13.24264 328.2785 11.53496 328.7606 9.738564 329.2427 8.563087 329.7248 8.337334 330.2069 8.257034 330.6891 7.800171 331.1712 7.115265 331.6533 6.533295 332.1354 6.427338 332.6175 6.403831 333.0996 5.427933 333.5818 3.053040 334.0639 1.165268 334.5460 1.433968 335.0281 2.477829 335.5102 2.663185 335.9923 1.284897 336.4745 0.4006420 336.9566 0.7602770 337.4387 0.3008350 337.9208 1.052544 338.4029 0.6622700 338.8850 0.1022720 339.3672 0.5111080 339.8493 0.5007780 340.3314 0.3158110 340.8135 2.6466001E-02 341.2956 0.3305590 341.7777 0.4488600 342.2599 5.8853000E-02 342.7420 0.2625730 343.2241 0.1708070 343.7062 1.185890 344.1883 1.880745 344.6704 1.551628 345.1526 0.6484680 345.6347 0.1549000 346.1168 0.1888430 346.5989 0.4133830 347.0810 0.7550280 347.5631 1.108818 348.0453 1.257935 348.5274 1.024582 349.0095 0.6742710 349.4916 0.5717850 349.9737 0.7270430 350.4558 0.6973270 350.9380 0.1451490 351.4201 0.6400990 351.9022 1.228699 352.3843 1.640533 352.8664 1.740196 353.3485 1.149429 353.8307 9.5069997E-02 354.3128 0.4705280 354.7949 0.1406860 355.2770 0.5294340 355.7591 0.9184190 356.2412 1.048561 356.7234 0.9049450 357.2055 0.2844700 357.6876 0.5512850 358.1697 1.262901 358.6518 1.834885 359.1339 2.074631 359.6161 1.595665 360.0982 0.5600590 360.5803 0.1259770 361.0624 0.1850200 361.5445 1.9112000E-02 362.0266 0.2618180 362.5088 0.5279080 362.9909 0.7696760 363.4730 0.9932330 363.9551 1.147568 364.4372 1.079391 364.9193 0.5608830 365.4015 0.2131810 365.8836 0.3909070 366.3657 0.9099810 366.8478 1.469734 367.3299 2.012451 367.8120 2.379921 368.2942 2.191116 368.7763 1.226791 369.2584 0.7074810 369.7405 1.129860 370.2226 1.879951 370.7047 2.348244 371.1869 2.467361 371.6690 2.559532 372.1511 2.931335 372.6332 3.599968 373.1153 4.124435 373.5974 4.437126 374.0796 4.693779 374.5617 5.027466 375.0438 5.370796 375.5259 5.494247 376.0080 5.227043 376.4901 4.755478 376.9723 4.752853 377.4544 5.482857 377.9365 6.327789 378.4186 7.580170 378.9007 8.758591 379.3828 9.072571 379.8650 8.376945 380.3471 7.597267 380.8292 8.104019 381.3113 10.59091 381.7934 12.31405 382.2755 12.64698 382.7577 12.86783 383.2398 13.70569 383.7219 15.10983 384.2040 16.63632 384.6861 17.93615 385.1682 19.02819 385.6504 20.16696 386.1325 21.59115 386.6146 22.78727 387.0967 23.37102 387.5788 23.76544 388.0609 24.46022 388.5431 25.66396 389.0252 27.32574 389.5073 29.36906 389.9894 31.86943 390.4715 34.63805 390.9536 38.11491 391.4358 41.46772 391.9179 44.02644 392.4000 45.83283 392.8821 47.54575 393.3642 49.77768 393.8463 52.54346 394.3285 55.45976 394.8106 58.86710 395.2927 62.14792 395.7748 64.84336 396.2569 67.23677 396.7390 69.92283 397.2212 73.32726 397.7033 76.90054 398.1854 79.35472 398.6675 80.56585 399.1496 81.05543 399.6317 80.85140 400.1139 80.04565 400.5960 78.63857 401.0781 76.67421 401.5602 74.14319 402.0423 70.95314 402.5244 67.14834 403.0066 63.08377 403.4887 58.63874 403.9708 54.19157 404.4529 49.88596 404.9350 45.77263 405.4171 41.97089 405.8993 38.49350 406.3814 35.39911 406.8635 32.89381 407.3456 31.04363 407.8277 29.13441 408.3098 26.64540 408.7920 23.93852 409.2741 21.58140 409.7562 19.64262 410.2383 17.96931 410.7204 16.23378 411.2025 14.72131 411.6847 14.35332 412.1668 15.57796 412.6489 17.12759 413.1310 17.31165 413.6131 16.19423 414.0952 15.18799 414.5774 14.67481 415.0595 14.33498 415.5416 13.79263 416.0237 13.04063 416.5058 12.33676 416.9879 11.79852 417.4701 11.46719 417.9522 11.55899 418.4343 12.64401 418.9164 13.39019 419.3985 13.23537 419.8806 12.57123 420.3628 11.88935 420.8449 11.34920 421.3270 11.09117 421.8091 11.39043 422.2912 12.66199 422.7733 13.38531 423.2555 13.25512 423.7376 12.87016 424.2197 12.51748 424.7018 12.21468 425.1839 11.90101 425.6660 11.55130 426.1482 11.16051 426.6303 10.54485 427.1124 9.021690 427.5945 8.153549 428.0766 8.792831 428.5587 9.831528 429.0409 10.08916 429.5230 9.236908 430.0051 7.918282 430.4872 6.942986 430.9693 6.283310 431.4514 6.104042 431.9336 6.865921 432.4157 7.709534 432.8978 8.366165 433.3799 8.826942 433.8620 9.161438 434.3441 9.413460 434.8263 9.565018 435.3084 9.533791 435.7905 9.275421 436.2726 9.063744 436.7547 8.892624 437.2368 8.770752 437.7190 8.838402 438.2011 9.182365 438.6832 9.369942 439.1653 8.790344 439.6474 7.643173 440.1295 7.054794 440.6117 7.299934 441.0938 7.881104 441.5759 8.485237 442.0580 9.110191 442.5401 9.732475 443.0222 10.52847 443.5044 11.18949 443.9865 11.37414 444.4686 11.11121 444.9507 10.64342 445.4328 10.00105 445.9149 9.304909 446.3971 8.850792 446.8792 8.706619 447.3613 8.557571 447.8434 8.355141 448.3255 8.084953 448.8076 7.716095 449.2898 7.245766 449.7719 6.706772 450.2540 6.084206 450.7361 5.360886 451.2182 5.014389 451.7003 5.436523 452.1825 5.748734 452.6646 5.528625 453.1467 5.004753 453.6288 4.589325 454.1109 4.462448 454.5930 4.475357 455.0751 4.320595 455.5573 3.858414 456.0394 3.499306 456.5215 3.276375 457.0036 3.109489 457.4857 2.847549 457.9678 2.576912 458.4500 2.608665 458.9321 3.291443 459.4142 4.437080 459.8963 4.901566 460.3784 4.301384 460.8605 3.682541 461.3427 3.286644 461.8248 3.023697 462.3069 2.793968 462.7890 2.572983 463.2711 2.443985 463.7532 2.549782 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