#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:37:53 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1197 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000611.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_1000611 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 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 R050121.rod _rod_data_source.block 3500000 _rod_database.code 1000611 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 109.6931 0.0000000E+00 110.1752 0.1707040 110.6573 0.2331540 111.1394 5.8860999E-02 111.6215 4.5069002E-02 112.1036 4.8785999E-02 112.5858 0.3726060 113.0679 0.6240670 113.5500 0.7036360 114.0321 0.7820950 114.5142 1.020559 114.9964 1.442659 115.4785 1.869595 115.9606 2.045366 116.4427 1.987015 116.9248 2.007681 117.4069 2.237797 117.8891 2.589186 118.3712 2.886974 118.8533 3.094059 119.3354 3.235806 119.8175 3.322296 120.2996 3.359564 120.7818 3.417128 121.2639 3.567171 121.7460 3.817595 122.2281 4.042231 122.7102 4.199472 123.1923 4.328331 123.6745 4.438860 124.1566 4.531565 124.6387 4.591766 125.1208 4.591181 125.6029 4.486443 126.0850 4.413324 126.5672 4.375975 127.0493 4.370489 127.5314 4.408506 128.0135 4.492643 128.4956 4.596527 128.9777 4.645557 129.4599 4.424053 129.9420 4.394690 130.4241 4.752728 130.9062 5.299774 131.3883 5.726412 131.8705 5.851868 132.3526 5.751144 132.8347 5.883274 133.3168 6.386208 133.7989 6.888233 134.2810 7.303936 134.7632 7.510464 135.2453 7.714327 135.7274 8.179804 136.2095 8.906183 136.6916 9.458426 137.1737 9.817650 137.6559 10.14418 138.1380 10.47784 138.6201 10.87445 139.1022 11.14842 139.5843 11.06789 140.0664 10.81012 140.5486 10.61543 141.0307 10.64190 141.5128 10.79255 141.9949 10.76836 142.4770 10.45650 142.9591 10.12596 143.4413 9.897808 143.9234 9.738142 144.4055 9.587257 144.8876 9.429865 145.3697 9.267664 145.8518 8.948523 146.3340 8.402485 146.8161 7.745825 147.2982 6.930824 147.7803 6.013166 148.2624 5.117666 148.7445 4.361814 149.2267 3.775478 149.7088 3.244349 150.1909 2.747530 150.6730 2.306261 151.1551 1.950148 151.6372 1.674244 152.1194 1.432688 152.6015 1.162058 153.0836 0.8300990 153.5657 0.5758570 154.0478 0.4521330 154.5299 0.3802570 155.0121 0.2735330 155.4942 0.1070940 155.9763 6.0410999E-02 156.4584 0.1130100 156.9405 3.6180001E-02 157.4227 1.2486000E-02 157.9048 0.1667820 158.3869 0.4046670 158.8690 0.5109290 159.3511 0.3837890 159.8332 0.1798380 160.3154 8.0246001E-02 160.7975 8.2386002E-02 161.2796 0.1426850 161.7617 0.2980500 162.2438 0.5332240 162.7259 0.6251510 163.2081 0.3856450 163.6902 9.0078004E-02 164.1723 4.7424000E-02 164.6544 7.8769997E-03 165.1365 8.4190004E-02 165.6186 9.2196003E-02 166.1008 5.7130000E-03 166.5829 9.2799999E-02 167.0650 0.1071030 167.5471 0.1408350 168.0292 0.2565140 168.5113 0.4673440 168.9935 0.7071000 169.4756 0.8509250 169.9577 0.8129860 170.4398 0.8565520 170.9219 1.094988 171.4040 1.359304 171.8862 1.494053 172.3683 1.444677 172.8504 1.290613 173.3325 1.219854 173.8146 1.320642 174.2967 1.409365 174.7789 1.444210 175.2610 1.476072 175.7431 1.567421 176.2252 1.748138 176.7073 1.996822 177.1894 2.244619 177.6716 2.471344 178.1537 2.721731 178.6358 3.029455 179.1179 3.366573 179.6000 3.700272 180.0821 4.033697 180.5643 4.320539 181.0464 4.421190 181.5285 4.248356 182.0106 4.056156 182.4927 3.950743 182.9749 3.923298 183.4570 3.933420 183.9391 3.959517 184.4212 4.019815 184.9033 4.146782 185.3854 4.394436 185.8676 4.620720 186.3497 4.701534 186.8318 4.633944 187.3139 4.520674 187.7960 4.304569 188.2781 4.117210 188.7603 4.148073 189.2424 4.511660 189.7245 4.926744 190.2066 4.965828 190.6887 4.491259 191.1708 4.142853 191.6530 4.294550 192.1351 4.602043 192.6172 4.787394 193.0993 4.752184 193.5814 4.554426 194.0635 4.293713 194.5457 3.928486 195.0278 3.584581 195.5099 3.201012 195.9920 2.883350 196.4741 2.773373 196.9562 2.943850 197.4384 3.275751 197.9205 3.418484 198.4026 3.181467 198.8847 3.003052 199.3668 2.954769 199.8489 2.985838 200.3311 3.037476 200.8132 3.079901 201.2953 3.123487 201.7774 3.208927 202.2595 3.524927 202.7416 3.667763 203.2238 3.433105 203.7059 3.035048 204.1880 2.791708 204.6701 2.884014 205.1522 3.218597 205.6344 3.389914 206.1165 3.149206 206.5986 3.022055 207.0807 3.175146 207.5628 3.508257 208.0449 3.858601 208.5271 4.154213 209.0092 4.356836 209.4913 4.328264 209.9734 3.946527 210.4555 3.537327 210.9376 3.167681 211.4198 2.852243 211.9019 2.629440 212.3840 2.519903 212.8661 2.527861 213.3482 2.652008 213.8303 2.998072 214.3125 3.277187 214.7946 3.318707 215.2767 3.146769 215.7588 2.872534 216.2409 2.430689 216.7230 2.012585 217.2052 1.960594 217.6873 2.458967 218.1694 2.946726 218.6515 2.908228 219.1336 2.362522 219.6157 1.912996 220.0979 1.836649 220.5800 1.949703 221.0621 2.079924 221.5442 2.224766 222.0263 2.322542 222.5084 2.268721 222.9906 2.038094 223.4727 1.889977 223.9548 2.050493 224.4369 2.243055 224.9190 2.244659 225.4011 2.008350 225.8833 1.694525 226.3654 1.464125 226.8475 1.311934 227.3296 1.273296 227.8117 1.500620 228.2938 1.752848 228.7760 1.865170 229.2581 1.807764 229.7402 1.692268 230.2223 1.665380 230.7044 1.750328 231.1866 1.852678 231.6687 2.033159 232.1508 2.178354 232.6329 2.171722 233.1150 2.010532 233.5971 1.834162 234.0793 1.876015 234.5614 2.320997 235.0435 2.516884 235.5256 2.289888 236.0077 1.967466 236.4898 1.699047 236.9720 1.536116 237.4541 1.494293 237.9362 1.623194 238.4183 2.062326 238.9004 2.324013 239.3825 2.296488 239.8647 2.208788 240.3468 2.217096 240.8289 2.336105 241.3110 2.463585 241.7931 2.466621 242.2752 2.280516 242.7574 2.152029 243.2395 1.988602 243.7216 1.939194 244.2037 2.193094 244.6858 2.724104 245.1679 3.261808 245.6501 3.497934 246.1322 3.339508 246.6143 3.214476 247.0964 3.157248 247.5785 3.103403 248.0606 2.992701 248.5428 2.829294 249.0249 2.679502 249.5070 2.609564 249.9891 2.633602 250.4712 2.662968 250.9533 2.674593 251.4355 2.708620 251.9176 2.806671 252.3997 2.964262 252.8818 3.130398 253.3639 3.271873 253.8460 3.383095 254.3282 3.436174 254.8103 3.435574 255.2924 3.376221 255.7745 3.285755 256.2566 3.153376 256.7387 2.873413 257.2209 2.301817 257.7030 1.502819 258.1851 0.9157960 258.6672 0.6374590 259.1493 0.4938180 259.6314 0.3895840 260.1136 0.3224540 260.5957 0.2998600 261.0778 0.3806880 261.5599 0.4862920 262.0420 0.4018020 262.5241 1.3605000E-02 263.0063 0.4549670 263.4884 0.7344050 263.9705 0.8586060 264.4526 0.8877680 264.9347 0.8689740 265.4168 0.7403530 265.8990 0.3814120 266.3811 0.3730550 266.8632 1.009212 267.3453 1.061644 267.8275 0.6035190 268.3096 0.2041950 268.7917 6.1650999E-02 269.2738 8.9065999E-02 269.7559 0.1369880 270.2380 0.1942980 270.7202 0.3218750 271.2023 0.6420880 271.6844 1.111063 272.1665 1.418386 272.6486 1.406115 273.1307 1.280958 273.6129 1.274513 274.0950 1.385767 274.5771 1.465448 275.0592 1.375883 275.5413 1.152569 276.0234 1.004627 276.5056 0.9786000 276.9877 1.020412 277.4698 1.098022 277.9519 1.203445 278.4340 1.296692 278.9161 1.320141 279.3983 1.302084 279.8804 1.372943 280.3625 1.558097 280.8446 1.812449 281.3267 2.214535 281.8088 2.663544 282.2910 2.912543 282.7731 2.698896 283.2552 2.187636 283.7373 1.926862 284.2194 1.979700 284.7015 2.183293 285.1837 2.574884 285.6658 3.026210 286.1479 3.334641 286.6300 3.371902 287.1121 3.245474 287.5942 3.182455 288.0764 3.186997 288.5585 3.293571 289.0406 3.617170 289.5227 3.984788 290.0048 4.212830 290.4869 4.231806 290.9691 4.140955 291.4512 4.074079 291.9333 3.970754 292.4154 4.073475 292.8975 4.670275 293.3796 5.386557 293.8618 5.940990 294.3439 6.266319 294.8260 6.489742 295.3081 6.798881 295.7902 7.233574 296.2723 7.536539 296.7545 7.488714 297.2366 7.438602 297.7187 7.631809 298.2008 8.070363 298.6829 8.514728 299.1650 8.672070 299.6472 8.499939 300.1293 8.453138 300.6114 8.697351 301.0935 8.938764 301.5756 8.967595 302.0577 8.856111 302.5399 8.865568 303.0220 9.245606 303.5041 9.976213 303.9862 10.62753 304.4683 11.18216 304.9504 11.66686 305.4326 12.05567 305.9147 12.38947 306.3968 12.73528 306.8789 13.12707 307.3610 13.56645 307.8431 14.05159 308.3253 14.57513 308.8074 15.16554 309.2895 15.87560 309.7716 16.63217 310.2537 17.29576 310.7358 17.78347 311.2180 18.26915 311.7001 19.18946 312.1822 20.84127 312.6643 22.28607 313.1464 23.08671 313.6285 23.78779 314.1107 24.79084 314.5928 26.21138 315.0749 27.97930 315.5570 30.02783 316.0392 32.41327 316.5213 34.87228 317.0034 37.05677 317.4855 39.56860 317.9676 42.71475 318.4497 46.53429 318.9319 50.92048 319.4140 55.88797 319.8961 61.48775 320.3782 67.06493 320.8603 72.35902 321.3424 77.83212 321.8246 84.32320 322.3067 91.21352 322.7888 97.20782 323.2709 101.6204 323.7530 104.3481 324.2351 104.3266 324.7173 100.7577 325.1994 95.15047 325.6815 87.31971 326.1636 78.17484 326.6457 68.67905 327.1278 59.19500 327.6100 50.03712 328.0921 41.86992 328.5742 34.64487 329.0563 28.60869 329.5384 23.98714 330.0205 20.30139 330.5027 17.26237 330.9848 14.76880 331.4669 12.71229 331.9490 11.00904 332.4311 9.741136 332.9132 8.467228 333.3954 6.848284 333.8775 5.413937 334.3596 4.561872 334.8417 4.266161 335.3238 4.136988 335.8059 3.828849 336.2881 3.338234 336.7702 2.887424 337.2523 2.480838 337.7344 2.120325 338.2165 1.813134 338.6986 1.549067 339.1808 1.295481 339.6629 1.000357 340.1450 0.7091850 340.6271 0.6268240 341.1092 0.9143840 341.5913 1.097027 342.0735 0.8791800 342.5556 0.5058240 343.0377 0.2961790 343.5198 0.4032640 344.0019 0.6136200 344.4840 0.5464460 344.9662 0.1172040 345.4483 0.2193080 345.9304 0.2918240 346.4125 0.2348960 346.8946 7.3031999E-02 347.3767 0.1870000 347.8589 0.3829870 348.3410 0.2813560 348.8231 0.1067780 349.3052 0.2997020 349.7873 6.3943997E-02 350.2694 0.1946770 350.7516 0.1669050 351.2337 9.2483997E-02 351.7158 0.3337580 352.1979 0.4131500 352.6800 0.3605640 353.1621 0.2537430 353.6443 5.2299000E-02 354.1264 0.1073330 354.6085 0.1210290 355.0906 4.7479000E-02 355.5727 2.9899999E-02 356.0548 8.7908000E-02 356.5370 0.1330090 357.0191 0.1865240 357.5012 0.2535870 357.9833 0.2701680 358.4654 0.2073230 358.9475 7.5214997E-02 359.4297 0.1307540 359.9118 0.4315500 360.3939 0.7116560 360.8760 0.8862930 361.3581 0.9659730 361.8402 1.005905 362.3224 1.014798 362.8045 0.9902340 363.2866 0.8952730 363.7687 0.7414170 364.2508 0.6643030 364.7329 0.7398270 365.2151 0.9184670 365.6972 1.137210 366.1793 1.401625 366.6614 1.643864 367.1436 1.788754 367.6257 1.869448 368.1078 1.989644 368.5899 2.250455 369.0720 2.483065 369.5541 2.452234 370.0363 2.215462 370.5184 2.173185 371.0005 2.564895 371.4826 3.224491 371.9647 3.785362 372.4468 4.269901 372.9290 4.629189 373.4111 4.700867 373.8932 4.641340 374.3753 4.750536 374.8574 5.117263 375.3395 5.588291 375.8217 5.936035 376.3038 6.122931 376.7859 6.541761 377.2680 7.429321 377.7501 8.429063 378.2322 9.265224 378.7144 9.916930 379.1965 10.43432 379.6786 10.79234 380.1607 11.03759 380.6428 11.66453 381.1249 13.01463 381.6071 14.30396 382.0892 15.24839 382.5713 15.94193 383.0534 16.55046 383.5355 17.14199 384.0176 17.73537 384.4998 18.37739 384.9819 19.08930 385.4640 19.82372 385.9461 20.32170 386.4282 21.00079 386.9103 22.30026 387.3925 24.22979 387.8746 26.41027 388.3567 28.40054 388.8388 30.12598 389.3209 32.21669 389.8030 34.90324 390.2852 37.66943 390.7673 40.14066 391.2494 42.55534 391.7315 45.40756 392.2136 48.99044 392.6957 53.18927 393.1779 57.53468 393.6600 62.45754 394.1421 66.88745 394.6242 70.68018 395.1063 74.02920 395.5884 77.26646 396.0706 80.40932 396.5527 82.86105 397.0348 83.88103 397.5169 83.39981 397.9990 81.72803 398.4811 78.40067 398.9633 74.26749 399.4454 69.28484 399.9275 63.73010 400.4096 58.06338 400.8917 52.56616 401.3738 47.25248 401.8560 42.14725 402.3381 37.10501 402.8202 32.59891 403.3023 28.76887 403.7844 25.43791 404.2665 22.44562 404.7487 19.75290 405.2308 17.34673 405.7129 15.19291 406.1950 13.26846 406.6771 11.77231 407.1592 11.09591 407.6414 10.54118 408.1235 9.499146 408.6056 8.049934 409.0877 6.714241 409.5698 5.811335 410.0519 5.244889 410.5341 4.808034 411.0162 4.534329 411.4983 4.243322 411.9804 3.765539 412.4625 3.208333 412.9446 2.765483 413.4268 2.490683 413.9089 2.296668 414.3910 2.123644 414.8731 1.966231 415.3553 1.842188 415.8374 1.776238 416.3195 1.735783 416.8016 1.683588 417.2837 1.626429 417.7658 1.505308 418.2480 1.198545 418.7301 0.8765740 419.2122 0.7663480 419.6943 0.8833240 420.1764 1.032051 420.6585 1.064418 421.1407 0.9884540 421.6228 0.9277100 422.1049 0.8486440 422.5870 0.8070190 423.0691 0.9226440 423.5512 1.086799 424.0334 1.065015 424.5155 0.7553520 424.9976 0.3342320 425.4797 0.1372990 425.9618 0.3262000 426.4439 0.4277560 426.9261 0.3709330 427.4082 0.3004060 427.8903 0.3314140 428.3724 0.4293370 428.8545 0.4552310 429.3366 0.2982970 429.8188 2.7611000E-02 430.3009 0.2098770 430.7830 0.1129920 431.2651 1.1798000E-02 431.7472 6.0594998E-02 432.2293 0.1080620 432.7115 0.1331140 433.1936 0.1384730 433.6757 0.1594920 434.1578 0.2707940 434.6399 0.5150900 435.1220 0.6991620 435.6042 0.7842710 436.0863 0.8191510 436.5684 0.7941280 437.0505 0.7325500 437.5326 0.6898550 438.0147 0.6848850 438.4969 0.7327730 438.9790 0.9107590 439.4611 1.280657 439.9432 1.622803 440.4253 1.814046 440.9074 1.946904 441.3896 2.103242 441.8717 2.295552 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