#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:38:24 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1205 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000619.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_1000619 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 R110100 _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 R110100.rod _rod_data_source.block 3500000 _rod_database.code 1000619 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 98.35315 0.0000000E+00 98.83527 1.591309 99.31738 2.376221 99.79950 1.777710 100.2816 1.452515 100.7637 0.7955320 101.2458 0.2235720 101.7280 9.5642000E-02 102.2101 0.3078610 102.6922 0.6007080 103.1743 0.9828490 103.6564 1.862610 104.1385 3.572693 104.6207 3.413269 105.1028 2.929749 105.5849 2.850891 106.0670 3.424561 106.5491 4.076904 107.0313 4.280884 107.5134 3.978027 107.9955 3.304443 108.4776 2.104065 108.9597 7.0251003E-02 109.4418 1.042542 109.9240 0.1148680 110.4061 1.383728 110.8882 2.405029 111.3703 2.519165 111.8524 2.108154 112.3345 2.009705 112.8167 2.250671 113.2988 2.925293 113.7809 4.565918 114.2630 6.511047 114.7451 7.878357 115.2272 8.065308 115.7094 7.140320 116.1915 6.445801 116.6736 5.987305 117.1557 5.688904 117.6378 5.708984 118.1199 5.921021 118.6021 5.908936 119.0842 5.220093 119.5663 3.799316 120.0484 3.002808 120.5305 3.147583 121.0126 3.688110 121.4948 4.231689 121.9769 4.741394 122.4590 5.151489 122.9411 5.407715 123.4232 5.521729 123.9053 5.421692 124.3875 4.790894 124.8696 3.906433 125.3517 3.667419 125.8338 4.516357 126.3159 5.678955 126.7980 6.511475 127.2802 7.071777 127.7623 7.529144 128.2444 7.865234 128.7265 8.028381 129.2086 8.566193 129.6907 10.33813 130.1729 12.36017 130.6550 13.51062 131.1371 14.00357 131.6192 13.95114 132.1013 13.20667 132.5834 10.86557 133.0656 9.607788 133.5477 10.06100 134.0298 11.07428 134.5119 11.79245 134.9940 11.91821 135.4761 11.70538 135.9583 11.77011 136.4404 11.81491 136.9225 12.59622 137.4046 14.83145 137.8867 17.67288 138.3688 19.92047 138.8510 21.01096 139.3331 21.18137 139.8152 21.15619 140.2973 20.69943 140.7794 20.41196 141.2615 20.84906 141.7437 21.79581 142.2258 22.23886 142.7079 21.40561 143.1900 19.81174 143.6721 18.70328 144.1542 18.55490 144.6364 18.37955 145.1185 16.97333 145.6006 14.09753 146.0827 11.44952 146.5648 10.05707 147.0469 9.305878 147.5291 8.684784 148.0112 8.107300 148.4933 7.463013 148.9754 6.417694 149.4575 4.526123 149.9396 3.017395 150.4218 2.318848 150.9039 2.149170 151.3860 2.197632 151.8681 2.340851 152.3502 2.528839 152.8323 2.346802 153.3145 1.056274 153.7966 0.1006770 154.2787 3.1403001E-02 154.7608 0.3979190 155.2429 0.8339840 155.7250 0.8292540 156.2072 0.4581600 156.6893 0.2273860 157.1714 0.1705020 157.6535 0.1773680 158.1356 0.2674260 158.6177 0.4032590 159.0999 0.4674990 159.5820 0.3643800 160.0641 7.6629996E-02 160.5462 0.3609010 161.0283 1.497009 161.5104 2.408478 161.9926 2.225983 162.4747 0.8447570 162.9568 0.8849790 163.4389 2.209778 163.9210 3.140686 164.4031 3.598419 164.8853 3.206757 165.3674 2.431030 165.8495 1.928833 166.3316 1.782440 166.8137 1.912445 167.2958 2.401947 167.7780 3.262482 168.2601 4.011200 168.7422 4.419495 169.2243 4.509308 169.7064 4.344208 170.1885 3.687164 170.6707 3.095581 171.1528 2.820435 171.6349 2.878693 172.1170 3.275574 172.5991 4.400055 173.0812 6.336823 173.5634 7.175842 174.0455 5.457031 174.5276 3.638428 175.0097 2.626587 175.4918 2.481506 175.9739 2.875488 176.4561 3.604340 176.9382 4.936157 177.4203 5.659973 177.9024 5.221741 178.3845 4.682526 178.8666 4.559875 179.3488 4.936920 179.8309 5.613953 180.3130 6.339478 180.7951 7.157257 181.2772 7.917206 181.7593 8.558472 182.2415 9.188568 182.7236 10.04727 183.2057 11.14291 183.6878 12.05768 184.1699 12.11234 184.6520 10.71298 185.1342 9.556915 185.6163 8.654266 186.0984 8.020447 186.5805 7.722717 187.0626 7.792450 187.5447 8.080536 188.0269 8.402039 188.5090 8.829559 188.9911 9.038940 189.4732 8.729462 189.9553 8.186462 190.4374 7.958984 190.9196 8.279419 191.4017 8.777802 191.8838 8.798218 192.3659 8.277130 192.8480 8.043945 193.3301 8.776764 193.8123 10.17603 194.2944 11.15231 194.7765 11.40128 195.2586 11.11276 195.7407 10.49344 196.2228 9.539642 196.7050 8.590881 197.1871 7.931641 197.6692 7.547607 198.1513 7.075317 198.6334 6.164825 199.1155 5.415436 199.5977 5.328888 200.0798 5.905762 200.5619 6.617218 201.0440 6.847137 201.5261 6.464813 202.0082 6.485352 202.4904 7.552979 202.9725 8.692932 203.4546 9.384003 203.9367 9.585815 204.4188 9.643555 204.9009 10.02325 205.3831 10.88351 205.8652 11.50583 206.3473 11.82932 206.8294 11.99814 207.3115 12.17514 207.7936 12.30014 208.2758 12.10464 208.7579 11.17795 209.2400 8.838043 209.7221 7.298492 210.2042 6.897644 210.6863 6.930481 211.1685 7.026459 211.6506 7.011963 212.1327 6.864716 212.6148 6.671082 213.0969 6.406860 213.5790 6.141937 214.0612 5.756653 214.5433 5.442535 215.0254 5.426727 215.5075 5.739105 215.9896 6.091827 216.4717 6.038208 216.9539 5.191284 217.4360 4.922913 217.9181 5.835480 218.4002 7.025757 218.8823 7.502716 219.3644 7.045654 219.8466 6.306183 220.3287 6.187225 220.8108 6.788849 221.2929 7.171326 221.7750 7.109772 222.2571 6.804657 222.7393 6.427307 223.2214 5.982117 223.7035 5.654999 224.1856 5.794556 224.6677 6.361938 225.1498 6.862488 225.6320 7.251740 226.1141 7.478241 226.5962 7.404297 227.0783 6.939484 227.5604 6.367523 228.0425 5.754669 228.5247 5.171814 229.0068 5.105133 229.4889 6.165924 229.9710 7.844299 230.4531 9.058014 230.9352 9.737183 231.4174 9.814270 231.8995 8.793365 232.3816 7.096313 232.8637 5.918793 233.3458 6.233521 233.8279 7.556824 234.3101 8.172119 234.7922 7.397369 235.2743 7.026367 235.7564 8.406738 236.2385 10.87039 236.7206 13.09882 237.2028 14.40707 237.6849 14.88416 238.1670 14.89859 238.6491 14.31204 239.1312 13.41180 239.6133 12.06067 240.0955 10.55496 240.5776 9.364899 241.0597 8.801880 241.5418 8.771667 242.0239 8.873932 242.5060 9.351593 242.9882 9.611145 243.4703 9.286377 243.9524 8.694122 244.4345 8.277588 244.9166 8.287720 245.3987 8.670685 245.8809 9.201019 246.3630 10.10953 246.8451 10.86105 247.3272 11.26321 247.8093 11.47800 248.2914 11.66882 248.7736 11.90771 249.2557 12.25174 249.7378 12.96576 250.2199 14.90698 250.7020 16.11975 251.1841 16.02533 251.6663 15.19498 252.1484 14.34277 252.6305 13.81323 253.1126 13.39145 253.5947 12.35947 254.0768 10.08353 254.5590 7.924408 255.0411 5.723297 255.5232 3.769623 256.0053 2.434631 256.4874 1.879059 256.9695 1.824615 257.4517 1.599609 257.9338 0.8992000 258.4159 0.3873290 258.8980 8.9233004E-02 259.3801 3.1493999E-02 259.8622 5.2643001E-02 260.3444 0.3427730 260.8265 0.6718750 261.3086 0.7169800 261.7907 0.1379090 262.2728 0.2006840 262.7549 1.0956000E-02 263.2371 0.3171390 263.7192 0.1646120 264.2013 0.5797120 264.6834 1.457611 265.1655 1.782227 265.6476 1.294495 266.1298 0.8010560 266.6119 8.6304002E-02 267.0940 0.5046080 267.5761 0.4696660 268.0582 0.2561650 268.5403 0.9973750 269.0225 0.9121700 269.5046 0.2631840 269.9867 1.151337 270.4688 1.724030 270.9509 1.999603 271.4330 1.800110 271.9152 1.150665 272.3973 0.6276250 272.8794 0.8763120 273.3615 1.966431 273.8436 2.651062 274.3257 2.678619 274.8079 2.457550 275.2900 2.137512 275.7721 1.770477 276.2542 1.745422 276.7363 2.527008 277.2184 3.979309 277.7006 4.855835 278.1827 4.551697 278.6648 4.139984 279.1469 4.585632 279.6290 5.761688 280.1111 6.549255 280.5933 6.098297 281.0754 4.785950 281.5575 4.052216 282.0396 4.279907 282.5217 4.622772 283.0038 4.421509 283.4860 3.823822 283.9681 3.651947 284.4502 4.466949 284.9323 5.809387 285.4144 6.670380 285.8965 6.988647 286.3787 7.057251 286.8608 6.832336 287.3429 6.428467 287.8250 6.351349 288.3071 6.923706 288.7892 7.648346 289.2714 7.766388 289.7535 7.227600 290.2356 6.680206 290.7177 6.377899 291.1998 6.292511 291.6819 6.386200 292.1641 6.728027 292.6462 7.097443 293.1283 7.201691 293.6104 7.079773 294.0925 7.024841 294.5746 7.343658 295.0568 7.787140 295.5389 7.746979 296.0210 6.945679 296.5031 6.200562 296.9852 6.433899 297.4673 7.347778 297.9495 8.191406 298.4316 8.751526 298.9137 9.084442 299.3958 9.227570 299.8779 9.148468 300.3600 9.051544 300.8422 9.031799 301.3243 9.092072 301.8064 9.254852 302.2885 9.502289 302.7706 9.874573 303.2527 10.49731 303.7349 11.39481 304.2170 12.17093 304.6991 12.43558 305.1812 12.57980 305.6633 13.11755 306.1454 14.14719 306.6276 15.53497 307.1097 17.63721 307.5918 20.35284 308.0739 21.92734 308.5560 20.88455 309.0381 19.20956 309.5203 19.15503 310.0024 20.87640 310.4845 23.15848 310.9666 25.19186 311.4487 27.08008 311.9308 29.40048 312.4130 32.50308 312.8951 35.70181 313.3772 38.01694 313.8593 39.64645 314.3414 41.95663 314.8235 46.12280 315.3057 51.45386 315.7878 56.12488 316.2699 59.68744 316.7520 63.27698 317.2341 67.67487 317.7162 72.69357 318.1984 78.06247 318.6805 83.80490 319.1626 89.76965 319.6447 96.11624 320.1268 103.1672 320.6089 108.9820 321.0911 112.9052 321.5732 114.6816 322.0553 113.5922 322.5374 109.2637 323.0195 102.3916 323.5016 92.97107 323.9838 80.92566 324.4659 69.09390 324.9480 58.11813 325.4301 48.25162 325.9122 39.72186 326.3943 32.46451 326.8765 26.40903 327.3586 21.68045 327.8407 18.11383 328.3228 15.26065 328.8049 13.20038 329.2870 11.61316 329.7692 10.17438 330.2513 8.881561 330.7334 7.724182 331.2155 6.795654 331.6976 5.996704 332.1797 5.039276 332.6619 3.793610 333.1440 2.669250 333.6261 2.085297 334.1082 1.885162 334.5903 1.744293 335.0724 1.401123 335.5546 1.148132 336.0367 1.504028 336.5188 2.534698 337.0009 3.498810 337.4830 4.103882 337.9651 4.296112 338.4473 3.961395 338.9294 2.841431 339.4115 1.581573 339.8936 0.5835270 340.3757 0.1477360 340.8578 0.4924930 341.3400 0.2468570 341.8221 0.2531430 342.3042 0.5185240 342.7863 0.5526120 343.2684 0.3828430 343.7505 0.1752620 344.2327 0.9223330 344.7148 1.367218 345.1969 1.378387 345.6790 1.147308 346.1611 0.7887880 346.6432 0.3276370 347.1254 4.0833000E-02 347.6075 0.2131040 348.0896 0.2911680 348.5717 0.4234010 349.0538 0.6258240 349.5359 0.7546080 350.0181 0.6480100 350.5002 0.3701780 350.9823 0.2241820 351.4644 0.3878780 351.9465 0.5520940 352.4286 0.3768310 352.9108 1.8097000E-02 353.3929 7.1135998E-02 353.8750 0.6119080 354.3571 1.625702 354.8392 1.933167 355.3214 1.170135 355.8035 0.6642150 356.2856 1.124268 356.7677 2.116608 357.2498 2.924652 357.7319 3.366821 358.2141 3.463440 358.6962 3.138306 359.1783 2.303345 359.6604 1.620819 360.1425 1.114990 360.6246 0.8220210 361.1068 0.9627380 361.5889 1.496216 362.0710 1.820862 362.5531 1.333771 363.0352 5.5266999E-02 363.5173 0.6489560 363.9995 0.6055600 364.4816 0.2308650 364.9637 0.4936520 365.4458 1.407013 365.9279 2.143555 366.4100 2.509613 366.8922 2.578186 367.3743 2.569092 367.8564 2.310669 368.3385 2.216858 368.8206 2.441284 369.3027 2.812683 369.7849 3.156158 370.2670 3.418304 370.7491 3.617920 371.2312 3.789520 371.7133 3.974091 372.1954 3.977905 372.6776 3.430328 373.1597 3.014252 373.6418 3.334869 374.1239 4.244263 374.6060 5.008057 375.0881 4.979675 375.5703 4.201477 376.0524 4.112091 376.5345 5.435272 377.0166 6.602234 377.4987 7.159393 377.9808 7.371735 378.4630 7.614349 378.9451 8.059082 379.4272 8.688599 379.9093 9.482635 380.3914 10.67920 380.8735 11.63956 381.3557 12.44189 381.8378 12.96109 382.3199 13.04642 382.8020 12.71201 383.2841 12.13849 383.7662 11.43967 384.2484 10.51996 384.7305 10.11902 385.2126 10.79114 385.6947 11.46384 386.1768 11.75146 386.6589 11.78333 387.1411 11.83243 387.6232 12.02176 388.1053 12.40891 388.5874 13.24997 389.0695 14.84149 389.5516 16.33264 390.0338 17.54074 390.5159 18.57669 390.9980 19.46036 391.4801 20.20746 391.9622 21.01678 392.4443 22.24036 392.9265 23.95020 393.4086 25.37137 393.8907 26.42972 394.3728 27.12576 394.8549 27.52917 395.3370 27.59793 395.8192 27.18408 396.3013 26.06024 396.7834 24.38013 397.2655 22.62402 397.7476 20.74841 398.2297 18.89920 398.7119 17.16724 399.1940 15.55676 399.6761 14.06146 400.1582 12.65570 400.6403 11.32892 401.1224 10.12021 401.6046 8.983215 402.0867 7.713287 402.5688 6.106873 403.0509 4.587891 403.5330 3.600952 404.0151 3.149323 404.4973 3.007202 404.9794 3.279724 405.4615 3.715942 405.9436 3.915466 406.4257 3.832214 406.9078 3.525238 407.3900 2.945160 407.8721 2.156830 408.3542 1.498352 408.8363 1.120178 409.3184 0.7811890 409.8005 0.2205510 410.2827 0.4591670 410.7648 0.9143980 411.2469 0.9795840 411.7290 0.7088320 412.2111 0.2290650 412.6932 0.5735470 413.1754 1.252502 413.6575 1.713867 414.1396 2.025665 414.6217 2.296936 415.1038 2.540100 415.5859 2.652283 416.0681 2.470642 416.5502 1.927521 417.0323 1.904724 417.5144 2.864868 417.9965 3.771118 418.4786 4.177795 418.9608 4.227753 419.4429 4.214081 419.9250 4.279083 420.4071 4.432068 420.8892 4.733643 421.3713 5.817078 421.8535 6.006897 422.3356 4.518005 422.8177 2.740997 423.2998 1.743744 423.7819 1.635010 424.2640 1.786987 424.7462 1.489777 425.2283 0.6720280 425.7104 0.4409790 426.1925 1.545593 426.6746 2.447296 427.1567 2.719391 427.6389 2.499115 428.1210 1.946899 428.6031 1.078125 429.0852 0.1650700 429.5673 0.2057190 430.0494 8.3893001E-02 430.5316 0.4816590 431.0137 0.8811340 431.4958 1.344391 431.9779 1.974243 432.4600 2.755219 432.9421 3.478851 433.4243 3.992249 433.9064 4.318298 434.3885 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