#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:59:51 +0300 (Thu, 26 Apr 2018) $ #$Revision: 583 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000124.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_1000124 loop_ _publ_author_name 'Groat, L. A.' 'Rossman, G. R.' 'Dyar, M. D.' 'Turner, D.' 'Piccoli, P. M. B.' 'Schultz, A. J.' 'Ottolini, L.' _publ_section_title ; Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 597 _journal_page_last 613 _journal_paper_doi 10.3749/canmin.48.3.597 _journal_volume 48 _journal_year 2010 _chemical_compound_source 'True Blue showing, Yukon Territory, Canada' _chemical_formula_sum 'Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6' _chemical_name_mineral Beryl _space_group_IT_number 192 _symmetry_space_group_name_Hall '-P 6 2c' _symmetry_space_group_name_H-M 'P 6/m c c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.2909 _cell_length_b 9.2909 _cell_length_c 9.1996 _cell_volume 687.726 _exptl_crystal_density_diffrn 2.816 _cod_original_formula_sum 'Be3 Al1.356 Mg.258 Fe.384 Si6 O18.912 Na.425 H10.944' _cod_database_code 9015085 _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 R110118.rod _rod_data_source.block 3500000 _rod_database.code 1000124 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 9015085 COD http://www.crystallography.net/cod/9015085.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 156.6893 0.0000000E+00 157.1714 1.503662 157.6535 6.7443997E-02 158.1356 0.1492920 158.6177 1.060516 159.0999 2.249207 159.5820 2.188080 160.0641 0.5175170 160.5462 0.1727600 161.0283 0.6536870 161.5104 1.992462 161.9926 3.170837 162.4747 4.082306 162.9568 4.833801 163.4389 5.373413 163.9210 5.725189 164.4031 6.495300 164.8853 8.261719 165.3674 10.36255 165.8495 11.57834 166.3316 11.38150 166.8137 11.30798 167.2958 13.20544 167.7780 16.58752 168.2601 19.66858 168.7422 21.62439 169.2243 22.59674 169.7064 23.01791 170.1885 22.39737 170.6707 21.91956 171.1528 22.42599 171.6349 23.75952 172.1170 25.22864 172.5991 26.10782 173.0812 26.33420 173.5634 27.28885 174.0455 29.98126 174.5276 32.71021 175.0097 34.58298 175.4918 35.70346 175.9739 36.84393 176.4561 38.87463 176.9382 42.07703 177.4203 45.28134 177.9024 48.96869 178.3845 52.29056 178.8666 54.51080 179.3488 55.67728 179.8309 56.57825 180.3130 58.28949 180.7951 61.28690 181.2772 64.06815 181.7593 66.74142 182.2415 69.17090 182.7236 71.25128 183.2057 72.95050 183.6878 74.33865 184.1699 75.51819 184.6520 76.50684 185.1342 77.18045 185.6163 77.40567 186.0984 77.35989 186.5805 77.24719 187.0626 77.13409 187.5447 76.90323 188.0269 76.17487 188.5090 74.64825 188.9911 73.84070 189.4732 74.59088 189.9553 76.20584 190.4374 77.50793 190.9196 78.15814 191.4017 78.39572 191.8838 78.66919 192.3659 79.05576 192.8480 78.93747 193.3301 77.57248 193.8123 75.35611 194.2944 73.81415 194.7765 73.69257 195.2586 73.94479 195.7407 73.37024 196.2228 71.95773 196.7050 70.54227 197.1871 69.72577 197.6692 69.48880 198.1513 69.33728 198.6334 68.76459 199.1155 68.67386 199.5977 69.94385 200.0798 72.54849 200.5619 75.29843 201.0440 77.00836 201.5261 77.53601 202.0082 78.02267 202.4904 78.54752 202.9725 79.11121 203.4546 79.84738 203.9367 80.71350 204.4188 81.40640 204.9009 81.36774 205.3831 80.08743 205.8652 79.67758 206.3473 81.39819 206.8294 83.04907 207.3115 83.38809 207.7936 82.74057 208.2758 81.43594 208.7579 79.74637 209.2400 77.62167 209.7221 76.28979 210.2042 75.51559 210.6863 75.00674 211.1685 74.71692 211.6506 74.62927 212.1327 74.61093 212.6148 73.56592 213.0969 70.38107 213.5790 68.13785 214.0612 68.13507 214.5433 68.36282 215.0254 66.94781 215.5075 63.52692 215.9896 59.70227 216.4717 57.88107 216.9539 59.51016 217.4360 59.68027 217.9181 57.33911 218.4002 53.96042 218.8823 50.78668 219.3644 48.12503 219.8466 45.97409 220.3287 44.49756 220.8108 43.84778 221.2929 42.90555 221.7750 41.26825 222.2571 39.36273 222.7393 37.78131 223.2214 36.69507 223.7035 35.66586 224.1856 34.00443 224.6677 31.76843 225.1498 29.85596 225.6320 28.70633 226.1141 27.97235 226.5962 27.09656 227.0783 25.97577 227.5604 24.75034 228.0425 23.18811 228.5247 21.46719 229.0068 20.57806 229.4889 21.85864 229.9710 24.16849 230.4531 24.79535 230.9352 22.94485 231.4174 20.48618 231.8995 18.68158 232.3816 17.41302 232.8637 16.43445 233.3458 15.71881 233.8279 15.20862 234.3101 14.68066 234.7922 14.06241 235.2743 13.56912 235.7564 13.36221 236.2385 13.35013 236.7206 13.33319 237.2028 13.07587 237.6849 12.71887 238.1670 13.01221 238.6491 14.93240 239.1312 15.97244 239.6133 14.57153 240.0955 11.79962 240.5776 9.388062 241.0597 8.297882 241.5418 8.399689 242.0239 9.219543 242.5060 11.71667 242.9882 13.59546 243.4703 13.92987 243.9524 13.34155 244.4345 12.74829 244.9166 12.69791 245.3987 13.02350 245.8809 12.89999 246.3630 11.50058 246.8451 10.75003 247.3272 11.42816 247.8093 12.83203 248.2914 14.09286 248.7736 14.74722 249.2557 14.89392 249.7378 14.92682 250.2199 14.65268 250.7020 14.50513 251.1841 14.43265 251.6663 14.55008 252.1484 15.09399 252.6305 16.18970 253.1126 17.57816 253.5947 18.45938 254.0768 18.85388 254.5590 18.59976 255.0411 17.60205 255.5232 16.00189 256.0053 13.87555 256.4874 11.26529 256.9695 8.275146 257.4517 5.158417 257.9338 4.688366 258.4159 2.159943 258.8980 4.045197 259.3801 4.917908 259.8622 4.710052 260.3444 3.433441 260.8265 1.809967 261.3086 1.225311 261.7907 2.842621 262.2728 3.693359 262.7549 3.217285 263.2371 2.220062 263.7192 1.468536 264.2013 1.171631 264.6834 1.080902 265.1655 0.7917180 265.6476 1.0010000E-02 266.1298 0.1646120 266.6119 0.9981990 267.0940 2.384430 267.5761 2.952179 268.0582 2.502960 268.5403 1.492035 269.0225 0.3626100 269.5046 0.9548030 269.9867 2.010010 270.4688 2.923157 270.9509 3.491089 271.4330 3.230896 271.9152 2.158875 272.3973 1.306549 272.8794 1.862732 273.3615 3.948853 273.8436 5.078979 274.3257 4.178040 274.8079 3.046875 275.2900 3.258392 275.7721 4.821167 276.2542 6.475616 276.7363 7.240814 277.2184 7.216217 277.7006 7.593536 278.1827 8.601868 278.6648 9.831879 279.1469 11.09579 279.6290 12.36813 280.1111 13.46237 280.5933 14.16565 281.0754 14.63214 281.5575 15.41159 282.0396 16.78915 282.5217 18.14122 283.0038 18.76303 283.4860 18.88153 283.9681 19.77242 284.4502 22.30704 284.9323 25.74483 285.4144 28.44756 285.8965 30.17137 286.3787 31.80823 286.8608 33.97990 287.3429 36.50562 287.8250 38.72920 288.3071 40.51611 288.7892 41.97691 289.2714 43.48825 289.7535 45.24232 290.2356 46.17081 290.7177 45.43724 291.1998 43.55861 291.6819 41.63135 292.1641 39.75336 292.6462 38.15720 293.1283 36.93317 293.6104 36.06815 294.0925 35.98726 294.5746 37.12863 295.0568 39.12799 295.5389 41.29544 296.0210 43.56189 296.5031 45.95808 296.9852 49.33829 297.4673 53.06505 297.9495 55.01483 298.4316 53.80597 298.9137 50.68858 299.3958 47.18175 299.8779 43.15137 300.3600 39.55389 300.8422 37.19304 301.3243 35.70546 301.8064 34.61900 302.2885 33.85941 302.7706 33.48819 303.2527 33.69884 303.7349 34.47916 304.2170 35.14740 304.6991 35.34631 305.1812 35.40558 305.6633 35.72052 306.1454 36.35588 306.6276 37.22791 307.1097 38.47266 307.5918 40.09549 308.0739 41.27155 308.5560 41.04417 309.0381 40.75911 309.5203 42.07062 310.0024 45.18661 310.4845 48.66914 310.9666 51.44177 311.4487 53.69965 311.9308 56.34708 312.4130 59.35112 312.8951 63.13580 313.3772 68.03410 313.8593 73.95883 314.3414 80.34886 314.8235 87.07002 315.3057 94.03781 315.7878 101.0827 316.2699 107.9145 316.7520 114.9809 317.2341 122.6581 317.7162 130.8544 318.1984 139.4562 318.6805 148.7433 319.1626 158.1749 319.6447 167.2237 320.1268 176.1996 320.6089 183.6395 321.0911 189.4998 321.5732 192.9680 322.0553 192.5425 322.5374 187.7964 323.0195 179.2751 323.5016 166.9164 323.9838 150.5945 324.4659 132.6543 324.9480 112.2778 325.4301 92.08687 325.9122 75.28899 326.3943 62.17181 326.8765 51.25623 327.3586 41.54684 327.8407 33.03693 328.3228 26.24870 328.8049 21.66611 329.2870 18.43222 329.7692 15.78029 330.2513 13.66132 330.7334 11.63983 331.2155 9.217209 331.6976 6.756683 332.1797 5.218582 332.6619 4.863892 333.1440 4.975311 333.6261 5.410004 334.1082 5.906723 334.5903 5.712067 335.0724 3.721054 335.5546 1.356796 336.0367 0.7481990 336.5188 2.080704 337.0009 3.270325 337.4830 2.765182 337.9651 1.447144 338.4473 1.055588 338.9294 2.326553 339.4115 3.682999 339.8936 3.665176 340.3757 2.467438 340.8578 1.572037 341.3400 1.620178 341.8221 2.147522 342.3042 2.502411 342.7863 2.734665 343.2684 2.590088 343.7505 1.407990 344.2327 0.2264560 344.7148 0.6501010 345.1969 0.8660740 345.6790 2.627884 346.1611 2.218887 346.6432 2.2384999E-02 347.1254 1.441299 347.6075 0.9392550 348.0896 0.3635100 348.5717 1.040009 349.0538 0.9574740 349.5359 0.7241970 350.0181 0.7732240 350.5002 1.043411 350.9823 1.223602 351.4644 1.225220 351.9465 1.194366 352.4286 1.125961 352.9108 1.070786 353.3929 1.357681 353.8750 2.356842 354.3571 3.577621 354.8392 3.743912 355.3214 2.425110 355.8035 1.202118 356.2856 0.6232150 356.7677 0.5239870 357.2498 0.7666020 357.7319 1.392715 358.2141 1.899094 358.6962 1.438690 359.1783 2.056280 359.6604 1.439224 360.1425 2.209320 360.6246 2.445129 361.1068 1.847366 361.5889 2.242005 362.0710 1.001266 362.5531 2.066528 363.0352 2.686432 363.5173 2.588867 363.9995 1.141449 364.4816 0.3255770 364.9637 1.388580 365.4458 1.977631 365.9279 1.858444 366.4100 2.094597 366.8922 0.7934110 367.3743 1.531509 367.8564 0.6013340 368.3385 3.3752002E-02 368.8206 0.2616880 369.3027 0.9085080 369.7849 1.684326 370.2670 2.477249 370.7491 3.041153 371.2312 2.971634 371.7133 1.901733 372.1954 1.326965 372.6776 1.459686 373.1597 1.865952 373.6418 2.292847 374.1239 2.739792 374.6060 3.295670 375.0881 3.991425 375.5703 4.843048 376.0524 6.404144 376.5345 9.688919 377.0166 12.51828 377.4987 14.15739 377.9808 15.10791 378.4630 15.99167 378.9451 17.09007 379.4272 18.55632 379.9093 20.81628 380.3914 24.66577 380.8735 28.01048 381.3557 30.90443 381.8378 33.24121 382.3199 34.96959 382.8020 36.08063 383.2841 36.51749 383.7662 35.88988 384.2484 33.78355 384.7305 33.50912 385.2126 36.23276 385.6947 39.77603 386.1768 43.35948 386.6589 47.27444 387.1411 52.21970 387.6232 58.67236 388.1053 66.41592 388.5874 74.65085 389.0695 83.45247 389.5516 92.62546 390.0338 101.3767 390.5159 110.8521 390.9980 122.2941 391.4801 136.0589 391.9622 150.9328 392.4443 166.0349 392.9265 181.5342 393.4086 195.3902 393.8907 207.7694 394.3728 217.7737 394.8549 225.4579 395.3370 230.5200 395.8192 231.9384 396.3013 228.6826 396.7834 221.2955 397.2655 211.4179 397.7476 198.8562 398.2297 184.3103 398.7119 166.0758 399.1940 146.6888 399.6761 129.5397 400.1582 115.7101 400.6403 103.7805 401.1224 92.32904 401.6046 81.31900 402.0867 71.75348 402.5688 64.17117 403.0509 58.13713 403.5330 53.00928 404.0151 48.78777 404.4973 44.61882 404.9794 39.85440 405.4615 35.03094 405.9436 30.81493 406.4257 27.20866 406.9078 24.33539 407.3900 22.54756 407.8721 21.70657 408.3542 20.87065 408.8363 19.70200 409.3184 18.77342 409.8005 18.75383 410.2827 19.35757 410.7648 19.52101 411.2469 18.66641 411.7290 17.31726 412.2111 16.62932 412.6932 16.55931 413.1754 17.07002 413.6575 18.72517 414.1396 20.65768 414.6217 21.68596 415.1038 21.71294 415.5859 21.98489 416.0681 23.81129 416.5502 27.36720 417.0323 30.57547 417.5144 33.13942 417.9965 35.63533 418.4786 38.29788 418.9608 41.13777 419.4429 44.20587 419.9250 47.46751 420.4071 50.69429 420.8892 53.36481 421.3713 55.79988 421.8535 57.02370 422.3356 57.01888 422.8177 55.84109 423.2998 53.41150 423.7819 49.86983 424.2640 45.67957 424.7462 41.07704 425.2283 35.93051 425.7104 31.44218 426.1925 28.15138 426.6746 24.99690 427.1567 21.37038 427.6389 17.74617 428.1210 14.95142 428.6031 13.43259 429.0852 12.70012 429.5673 11.86955 430.0494 10.98947 430.5316 9.865753 431.0137 7.746735 431.4958 5.817520 431.9779 4.959167 432.4600 5.225494 432.9421 6.150635 433.4243 7.721390 433.9064 9.699402 434.3885 11.10164 434.8706 11.62680 435.3527 12.12981 435.8348 12.99098 436.3170 14.23050 436.7991 15.97794 437.2812 18.34119 437.7633 21.20683 438.2454 24.46330 438.7275 27.94052 439.2097 31.35989 439.6918 34.64131 440.1739 37.97464 440.6560 41.55363 441.1381 45.31934 441.6202 49.22000 442.1024 53.53729 442.5845 57.86710 443.0666 61.84853 443.5487 65.31393 444.0308 68.00009 444.5129 69.64580 444.9951 70.33829 445.4772 71.04919 445.9593 71.28287 446.4414 72.09229 446.9235 74.44873 447.4056 77.39496 447.8878 79.65903 448.3699 80.79221 448.8520 80.83856 449.3341 79.84460 449.8162 77.71979 450.2983 74.66397 450.7805 70.34247 451.2626 65.56439 451.7447 60.69283 452.2268 55.71323 452.7089 50.28316 453.1910 44.07697 453.6732 37.50679 454.1553 32.41609 454.6374 29.51125 455.1195 26.96843 455.6016 24.87929 456.0837 22.73502 456.5659 19.83968 457.0480 16.16190 457.5301 12.79605 458.0122 11.16765 458.4943 11.22536 458.9764 10.58662 459.4586 8.820038 459.9407 6.872925 460.4228 4.822464 460.9049 3.017502 461.3870 2.228241 461.8691 3.185440 462.3513 4.500137 462.8334 4.234482 463.3155 2.464096 463.7976 1.182373 464.2797 1.109543 464.7618 1.678574 465.2440 2.358276 465.7261 3.178085 466.2082 3.449341 466.6903 2.471161 467.1724 1.073532 467.6545 0.1967620 468.1367 8.0444001E-02 468.6188 7.2967999E-02 469.1009 0.6958160 469.5830 1.622131 470.0651 2.019135 470.5472 1.397064 471.0294 0.9408420 471.5115 1.112961 471.9936 1.547775 472.4757 1.729874 472.9578 1.545715 473.4399 1.364029 473.9221 1.710175 474.4042 2.817062 474.8863 3.065155 475.3684 1.422501 475.8505 0.1177670 476.3326 0.2891540 476.8148 1.300827 477.2969 1.982895 477.7790 1.757019 478.2611 1.078781 478.7432 0.9612730 479.2253 1.684784 479.7075 2.177048 480.1896 2.341232 480.6717 2.226730 481.1538 1.660431 481.6359 0.7760470 482.1180 4.3442000E-02 482.6002 0.1845700 483.0823 4.1397002E-02 483.5644 0.1084440 484.0465 0.2655490 484.5286 0.4277190 485.0107 0.5312350 485.4929 0.6744080 485.9750 1.111588 486.4571 2.003265 486.9392 2.471359 487.4213 1.463058 487.9034 0.2806240 488.3856 0.9276580 488.8677 7.6430999E-02 489.3498 0.9059600 489.8319 0.7747340 490.3140 0.3846130 490.7961 1.067047 491.2783 1.147522 491.7604 0.8980410 492.2425 1.283821 492.7246 0.6890110 493.2067 1.449875 493.6888 1.964035 494.1710 2.002029 494.6531 1.066086 495.1352 1.551453 495.6173 1.007804 496.0994 1.860138 496.5815 0.7047730 497.0637 0.5324400 497.5458 0.9956820 498.0279 1.087875 498.5100 0.1882480 498.9921 1.140320 499.4742 1.316635 499.9564 0.4124150 500.4385 1.375717 500.9206 0.6493070 501.4027 0.5088960 501.8848 1.550018 502.3669 2.359970 502.8491 2.820862 503.3312 2.464096 503.8133 1.788040 504.2954 2.500229 504.7775 5.049957 505.2596 6.802704 505.7418 5.753510 506.2239 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533.2224 56.49168 533.7045 52.21414 534.1866 48.20152 534.6688 44.14615 535.1509 40.15669 535.6330 36.65608 536.1151 34.05510 536.5972 31.95113 537.0793 29.00580 537.5615 24.82684 538.0436 21.52788 538.5257 20.53499 539.0078 20.09349 539.4899 18.48178 539.9720 15.71840 540.4542 13.40022 540.9363 12.97134 541.4184 13.22685 541.9005 11.98032 542.3826 9.171249 542.8647 6.913284 543.3469 6.503586 543.8290 7.313904 544.3111 7.783463 544.7932 7.999786 545.2753 7.754028 545.7574 6.638702 546.2396 5.259888 546.7217 4.036362 547.2038 3.075760 547.6859 2.696945 548.1680 3.183456 548.6501 4.234894 549.1323 4.587631 549.6144 3.827499 550.0965 3.140213 550.5786 2.636978 551.0607 2.207855 551.5428 1.740723 552.0250 1.261200 552.5071 0.9283750 552.9892 0.7253880 553.4713 0.6831670 553.9534 1.081543 554.4355 2.034073 554.9177 2.816879 555.3998 3.140579 555.8819 3.119308 556.3640 2.895309 556.8461 2.385101 557.3282 2.006104 557.8104 1.938950 558.2925 2.006851 558.7746 2.024933 559.2567 2.039246 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