#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:23:37 +0300 (Thu, 24 May 2018) $ #$Revision: 705 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000215.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_1000215 loop_ _publ_author_name 'Armstrong, J. A.' 'Friis, H.' 'Lieb, A.' 'Finch, A. A.' 'Weller, M. T.' _publ_section_title ; Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals ; _journal_name_full 'American Mineralogist' _journal_page_first 519 _journal_page_last 526 _journal_paper_doi 10.2138/am.2010.3276 _journal_volume 95 _journal_year 2010 _chemical_compound_source 'Vesle Aroya, Langesundsfjord, Norway' _chemical_formula_sum 'Al2.66 Be2 F2 K0.46 Na6.2 O39 Si15.34' _chemical_name_mineral Leifite _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 14.3446 _cell_length_b 14.3446 _cell_length_c 4.8455 _cell_volume 863.468 _exptl_crystal_density_diffrn 2.583 _cod_original_formula_sum 'Na6.2 K.46 Si15.34 Al2.66 Be2 O39 F2' _cod_database_code 9014152 _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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 R060219.rod _rod_data_source.block 3500000 _rod_database.code 1000215 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 9014152 COD http://www.crystallography.net/cod/9014152.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 145.5931 0.0000000E+00 146.0752 0.6632390 146.5573 1.4801000E-02 147.0394 0.3798520 147.5215 0.1674960 148.0036 0.1944430 148.4858 0.3316800 148.9679 1.622101 149.4500 4.527222 149.9321 8.324921 150.4142 11.86441 150.8963 14.48639 151.3785 17.47672 151.8606 21.11430 152.3427 25.58459 152.8248 30.38329 153.3069 35.40103 153.7890 40.75145 154.2712 45.94893 154.7533 50.74565 155.2354 55.23006 155.7175 59.08351 156.1996 61.88818 156.6817 64.67392 157.1639 67.44255 157.6460 70.29944 158.1281 73.40591 158.6102 76.99016 159.0923 80.67505 159.5744 84.33066 160.0566 88.13254 160.5387 91.51993 161.0208 94.18295 161.5029 96.27870 161.9850 98.24918 162.4671 99.89047 162.9493 101.6778 163.4314 104.0284 163.9135 108.2149 164.3956 111.4931 164.8777 112.3600 165.3598 111.2417 165.8420 109.8672 166.3241 108.8391 166.8062 108.0321 167.2883 107.3565 167.7704 106.8788 168.2525 106.4023 168.7346 105.9249 169.2168 105.3675 169.6989 104.3937 170.1810 102.8018 170.6631 100.6890 171.1452 98.15704 171.6273 95.19678 172.1095 91.90912 172.5916 88.19191 173.0737 84.08568 173.5558 80.04883 174.0379 76.48384 174.5201 73.20930 175.0022 69.86270 175.4843 66.15584 175.9664 62.37346 176.4485 59.05168 176.9306 56.14879 177.4128 53.18681 177.8949 49.31288 178.3770 45.06831 178.8591 41.56702 179.3412 39.75156 179.8233 38.78104 180.3055 37.31267 180.7876 35.31184 181.2697 33.19016 181.7518 31.12883 182.2339 29.22398 182.7160 27.71346 183.1982 27.09145 183.6803 26.90128 184.1624 25.93912 184.6445 24.08859 185.1266 22.29416 185.6087 21.81134 186.0909 22.42389 186.5730 23.01750 187.0551 23.12689 187.5372 23.26486 188.0193 23.50076 188.5014 23.90778 188.9836 24.75049 189.4657 26.28198 189.9478 28.38304 190.4299 30.26106 190.9120 31.36617 191.3941 31.98483 191.8763 33.31660 192.3584 35.50514 192.8405 38.09827 193.3226 40.03035 193.8047 41.28917 194.2868 42.70686 194.7690 44.90709 195.2511 47.79172 195.7332 49.97888 196.2153 51.23264 196.6974 52.25826 197.1795 54.22394 197.6617 57.18797 198.1438 60.41374 198.6259 63.61426 199.1080 66.77829 199.5901 69.89542 200.0722 72.85628 200.5544 75.92532 201.0365 79.67078 201.5186 84.22818 202.0007 88.69385 202.4828 92.57222 202.9649 95.81013 203.4471 99.05043 203.9292 102.5248 204.4113 106.1043 204.8934 109.7048 205.3755 113.4241 205.8576 116.6207 206.3398 118.8814 206.8219 120.0782 207.3040 121.2082 207.7861 122.3327 208.2682 123.3396 208.7503 124.0792 209.2325 124.6703 209.7146 124.6205 210.1967 123.6780 210.6788 121.7754 211.1609 119.2607 211.6430 115.9256 212.1252 112.1306 212.6073 108.7127 213.0894 105.7398 213.5715 102.9981 214.0536 100.4501 214.5357 98.16846 215.0179 95.75500 215.5000 93.09517 215.9821 90.35378 216.4642 87.98653 216.9463 86.30803 217.4284 84.36787 217.9105 81.62405 218.3927 77.75911 218.8748 74.26436 219.3569 71.30238 219.8390 68.62428 220.3211 65.64151 220.8032 62.35132 221.2854 58.72958 221.7675 54.63860 222.2496 49.96187 222.7317 45.28816 223.2138 40.52618 223.6959 35.82071 224.1781 31.35098 224.6602 27.16313 225.1423 23.18053 225.6244 19.46545 226.1065 15.97171 226.5886 12.71391 227.0708 9.691803 227.5529 6.876114 228.0350 4.141861 228.5171 1.236877 228.9992 1.213959 229.4813 2.877472 229.9635 3.399307 230.4456 4.261520 230.9277 5.745087 231.4098 7.413269 231.8919 8.436340 232.3740 8.578644 232.8562 8.439651 233.3383 8.233902 233.8204 8.019760 234.3025 7.527817 234.7846 6.620865 235.2667 5.508484 235.7489 4.604767 236.2310 4.087585 236.7131 3.493057 237.1952 2.686829 237.6773 1.708313 238.1594 0.3878940 238.6416 1.395752 239.1237 3.449722 239.6058 5.466034 240.0879 7.467728 240.5700 9.427231 241.0521 11.29808 241.5343 12.98096 242.0164 14.93961 242.4985 17.21173 242.9806 19.73103 243.4627 22.41846 243.9448 25.34175 244.4270 28.30632 244.9091 31.20903 245.3912 33.98466 245.8733 37.07361 246.3554 40.51741 246.8375 44.24960 247.3197 48.23604 247.8018 52.70677 248.2839 57.00664 248.7660 60.87573 249.2481 64.22987 249.7302 67.98021 250.2124 72.37416 250.6945 76.97220 251.1766 81.36073 251.6587 85.58440 252.1408 89.50490 252.6229 92.94551 253.1051 95.87447 253.5872 99.33751 254.0693 103.6793 254.5514 108.2343 255.0335 112.3642 255.5156 116.0077 255.9978 119.2787 256.4799 122.2419 256.9620 124.9018 257.4441 126.9059 257.9262 128.0985 258.4083 128.8316 258.8904 129.4431 259.3726 130.1141 259.8547 130.2113 260.3368 129.5464 260.8189 128.1789 261.3010 126.7640 261.7831 125.4880 262.2653 123.8531 262.7474 121.2854 263.2295 117.1443 263.7116 113.9515 264.1937 112.4858 264.6758 112.3033 265.1580 110.6067 265.6401 106.7648 266.1222 102.5901 266.6043 99.32526 267.0864 97.12354 267.5685 95.35297 268.0507 93.97565 268.5328 92.92813 269.0149 91.93504 269.4970 90.88994 269.9791 90.10652 270.4612 89.70328 270.9434 89.68748 271.4255 90.07970 271.9076 90.95082 272.3897 92.25780 272.8718 93.97491 273.3539 96.13971 273.8361 98.42064 274.3182 100.5751 274.8003 102.5296 275.2824 104.8869 275.7645 107.6607 276.2466 110.8541 276.7288 114.5489 277.2109 118.7818 277.6930 123.2265 278.1751 127.6835 278.6572 132.1659 279.1393 136.6708 279.6215 141.1900 280.1036 145.7463 280.5857 150.3517 281.0678 154.9852 281.5499 159.8120 282.0320 164.9899 282.5142 170.4888 282.9963 175.4341 283.4784 179.8085 283.9605 183.6955 284.4426 187.1201 284.9247 190.0778 285.4069 192.8874 285.8890 196.0038 286.3711 199.0781 286.8532 200.2528 287.3353 199.3595 287.8174 197.5075 288.2996 195.8621 288.7817 194.2976 289.2638 191.8046 289.7459 188.0001 290.2280 183.2688 290.7101 178.2078 291.1923 172.7672 291.6744 167.6384 292.1565 163.4146 292.6386 160.0279 293.1207 157.0301 293.6028 154.3122 294.0850 151.8861 294.5671 149.6717 295.0492 147.6914 295.5313 146.1522 296.0134 145.4526 296.4955 145.3649 296.9777 145.1278 297.4598 144.5671 297.9419 143.8621 298.4240 143.4242 298.9061 143.1592 299.3882 142.5517 299.8704 141.0887 300.3525 139.1136 300.8346 137.4621 301.3167 136.4301 301.7988 134.8868 302.2809 131.3101 302.7631 126.1681 303.2452 120.7243 303.7273 115.7068 304.2094 110.7642 304.6915 105.5838 305.1736 100.1126 305.6558 94.26701 306.1379 87.61118 306.6200 80.53252 307.1021 73.78915 307.5842 67.61343 308.0663 61.91095 308.5485 56.42059 309.0306 51.17555 309.5127 46.48535 309.9948 42.89052 310.4769 39.87871 310.9590 36.80186 311.4412 33.13057 311.9233 29.59273 312.4054 26.68044 312.8875 24.32414 313.3696 22.29120 313.8517 20.76653 314.3339 19.37177 314.8160 17.72768 315.2981 15.47318 315.7802 13.41048 316.2623 12.15207 316.7444 11.43213 317.2266 10.51181 317.7087 8.715195 318.1908 6.885574 318.6729 5.552124 319.1550 4.918243 319.6371 4.453339 320.1193 4.085892 320.6014 3.755707 321.0835 3.361359 321.5656 2.691360 322.0477 2.104019 322.5298 1.845535 323.0120 2.051270 323.4941 1.936096 323.9762 1.051514 324.4583 0.1289830 324.9404 1.092896 325.4225 1.645355 325.9047 2.092148 326.3868 2.503967 326.8689 2.887177 327.3510 3.151535 327.8331 3.016235 328.3152 2.917953 328.7974 3.160873 329.2795 4.420929 329.7616 5.222214 330.2437 5.291153 330.7258 4.753555 331.2079 4.282501 331.6901 3.867920 332.1722 3.531158 332.6543 3.295120 333.1364 3.285645 333.6185 3.159271 334.1006 2.902313 334.5828 2.534225 335.0649 2.113907 335.5470 1.646744 336.0291 1.109650 336.5112 0.4902040 336.9933 0.2346800 337.4755 0.9288940 337.9576 1.502975 338.4397 2.140396 338.9218 3.153214 339.4039 4.635788 339.8860 6.121613 340.3681 7.476822 340.8503 8.720184 341.3324 9.853592 341.8145 10.83669 342.2966 11.87248 342.7787 13.17296 343.2608 14.72679 343.7430 16.53368 344.2251 18.67203 344.7072 20.99422 345.1893 22.90472 345.6714 24.38443 346.1535 25.93640 346.6357 27.88303 347.1178 30.20645 347.5999 32.86945 348.0820 36.00710 348.5641 39.20598 349.0462 41.71313 349.5284 43.62686 350.0105 45.78195 350.4926 48.69933 350.9747 52.15919 351.4568 55.81082 351.9389 59.66351 352.4211 63.34073 352.9032 66.20555 353.3853 68.53947 353.8674 71.02644 354.3495 74.11693 354.8316 77.38605 355.3138 80.30937 355.7959 82.91731 356.2780 85.50058 356.7601 88.15518 357.2422 90.97009 357.7243 94.14743 358.2065 98.02597 358.6886 101.7798 359.1707 104.4851 359.6528 106.5254 360.1349 109.0560 360.6170 112.9528 361.0992 117.3429 361.5813 121.5829 362.0634 125.3955 362.5455 129.5016 363.0276 134.2801 363.5097 139.5041 363.9919 144.8375 364.4740 150.4897 364.9561 155.9494 365.4382 160.7167 365.9203 164.6768 366.4024 169.4810 366.8846 176.1960 367.3667 183.5247 367.8488 190.4169 368.3309 196.2410 368.8130 202.2054 369.2951 208.3068 369.7773 214.6573 370.2594 221.7240 370.7415 230.1407 371.2236 238.7464 371.7057 247.0901 372.1878 255.0073 372.6700 263.0205 373.1521 271.0521 373.6342 279.1508 374.1163 287.3741 374.5984 295.5588 375.0805 304.1324 375.5627 313.4223 376.0448 323.5526 376.5269 333.0652 377.0090 341.6984 377.4911 350.2690 377.9732 360.0141 378.4554 371.1190 378.9375 381.7873 379.4196 391.6220 379.9017 400.7426 380.3838 410.2110 380.8659 420.0757 381.3481 429.4039 381.8302 437.2607 382.3123 443.7565 382.7944 449.9059 383.2765 455.9023 383.7586 461.5052 384.2408 466.7057 384.7229 471.4319 385.2050 475.2787 385.6871 478.2984 386.1692 480.1810 386.6513 480.2708 387.1335 478.4539 387.6156 475.4564 388.0977 471.9141 388.5798 467.7437 389.0619 462.6825 389.5440 456.8461 390.0262 449.8788 390.5083 441.1326 390.9904 430.7363 391.4725 419.7343 391.9546 408.5440 392.4367 397.1556 392.9189 385.4507 393.4010 373.5172 393.8831 361.1461 394.3652 347.5697 394.8473 333.7357 395.3294 321.0875 395.8116 311.2413 396.2937 301.7981 396.7758 291.6542 397.2579 280.6234 397.7400 270.0894 398.2221 260.4625 398.7043 251.4552 399.1864 242.8698 399.6685 234.4181 400.1506 226.7122 400.6327 220.2354 401.1148 214.6738 401.5970 208.4441 402.0791 200.6900 402.5612 193.3409 403.0433 187.2989 403.5254 182.9634 404.0075 178.8158 404.4897 174.7271 404.9718 170.9496 405.4539 167.9086 405.9360 165.7292 406.4181 163.9129 406.9002 162.4112 407.3824 161.1872 407.8645 159.6231 408.3466 157.5508 408.8287 155.7687 409.3108 155.2769 409.7929 155.9944 410.2751 156.1365 410.7572 155.3464 411.2393 153.9842 411.7214 152.7663 412.2035 151.6447 412.6856 150.2379 413.1678 148.3411 413.6499 145.9973 414.1320 143.3596 414.6141 140.4366 415.0962 137.0081 415.5783 132.7207 416.0605 127.7859 416.5426 122.5123 417.0247 116.9615 417.5068 111.1537 417.9889 104.9676 418.4710 98.50110 418.9532 92.03918 419.4353 85.76508 419.9174 79.59537 420.3995 73.52568 420.8816 67.41803 421.3637 61.57748 421.8459 55.94359 422.3280 50.69286 422.8101 46.02232 423.2922 42.56429 423.7743 39.18280 424.2564 35.51112 424.7386 31.52228 425.2207 27.67358 425.7028 23.71355 426.1849 20.13902 426.6670 17.31279 427.1491 15.94980 427.6313 14.20116 428.1134 11.73538 428.5955 8.889923 429.0776 6.601349 429.5597 5.032227 430.0418 3.659821 430.5240 2.312012 431.0061 1.002777 431.4882 0.4067840 431.9703 1.936050 432.4524 3.511002 432.9345 5.127991 433.4167 6.792557 433.8988 8.186325 434.3809 9.183151 434.8630 9.882523 435.3451 10.54883 435.8272 11.17569 436.3094 11.55208 436.7915 11.45195 437.2736 11.00017 437.7557 10.49547 438.2378 9.960831 438.7199 9.373062 439.2020 8.897141 439.6841 8.342178 440.1663 7.317795 440.6484 5.492188 441.1305 3.242935 441.6126 0.8959050 442.0947 1.579559 442.5768 4.317230 443.0590 7.445969 443.5411 10.82845 444.0232 14.38400 444.5053 18.17821 444.9874 21.97380 445.4695 25.86737 445.9517 29.64035 446.4338 32.98267 446.9159 35.49979 447.3980 37.92023 447.8801 40.45424 448.3622 43.13937 448.8444 45.58334 449.3265 47.64478 449.8086 49.59853 450.2907 51.54248 450.7728 53.12624 451.2549 55.54988 451.7371 59.01213 452.2192 63.24026 452.7013 67.54156 453.1834 71.70285 453.6655 76.60057 454.1476 82.54860 454.6298 89.48941 455.1119 97.22351 455.5940 105.7110 456.0761 114.8586 456.5582 124.7831 457.0403 135.3240 457.5225 145.3636 458.0046 154.2309 458.4867 162.9467 458.9688 172.8414 459.4509 183.7929 459.9330 194.8865 460.4152 205.9316 460.8973 216.8638 461.3794 227.6179 461.8615 238.3423 462.3436 248.4107 462.8257 257.0191 463.3079 265.0285 463.7900 273.4121 464.2721 282.6895 464.7542 292.2365 465.2363 302.0719 465.7184 312.0263 466.2006 321.6156 466.6827 330.5783 467.1648 339.2888 467.6469 347.9118 468.1290 356.6165 468.6111 364.5654 469.0933 372.1063 469.5754 378.7135 470.0575 384.2471 470.5396 389.8788 471.0217 392.0618 471.5038 390.1370 471.9860 384.5487 472.4681 376.8147 472.9502 367.0250 473.4323 354.7180 473.9144 339.2811 474.3965 320.7481 474.8787 301.6671 475.3608 281.9156 475.8429 262.4561 476.3250 244.1472 476.8071 227.1456 477.2892 212.0944 477.7714 199.0117 478.2535 188.4444 478.7356 181.2864 479.2177 177.4239 479.6998 176.4646 480.1819 178.1932 480.6641 182.6627 481.1462 189.8674 481.6283 199.8187 482.1104 212.5369 482.5925 227.9092 483.0746 246.1107 483.5568 267.4119 484.0389 291.7866 484.5210 319.0920 485.0031 349.5043 485.4852 382.7095 485.9673 418.7305 486.4495 457.6866 486.9316 498.9362 487.4137 542.2662 487.8958 587.9025 488.3779 635.0439 488.8600 683.5142 489.3422 734.0029 489.8243 787.7875 490.3064 844.2462 490.7885 904.0720 491.2706 967.1026 491.7527 1033.645 492.2349 1106.335 492.7170 1184.613 493.1991 1268.519 493.6812 1357.000 494.1633 1450.089 494.6454 1550.838 495.1276 1658.534 495.6097 1771.901 496.0918 1889.001 496.5739 2010.778 497.0560 2134.671 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252.3706 524.5367 250.4280 525.0188 249.2522 525.5009 248.8325 525.9830 249.1060 526.4651 249.3404 526.9473 249.4027 527.4294 249.8083 527.9115 249.8796 528.3936 250.5268 528.8757 250.9960 529.3578 251.4029 529.8400 251.3387 530.3221 250.5208 530.8042 248.9112 531.2863 246.2201 531.7684 242.3833 532.2505 237.3494 532.7327 231.0733 533.2148 223.4886 533.6969 215.0100 534.1790 206.1681 534.6611 196.3791 535.1432 185.1321 535.6254 170.4687 536.1075 156.4885 536.5896 143.8383 537.0717 132.1714 537.5538 120.9184 538.0359 109.7588 538.5181 99.47948 539.0002 90.46236 539.4823 82.72968 539.9644 74.89435 540.4465 66.81363 540.9286 59.26740 541.4108 53.07396 541.8929 48.02429 542.3750 43.55229 542.8571 39.61185 543.3392 36.05682 543.8214 32.68187 544.3035 29.53958 544.7856 26.61221 545.2677 24.00116 545.7498 21.52522 546.2319 19.04539 546.7141 16.58348 547.1962 14.31070 547.6783 12.21783 548.1604 10.41663 548.6425 8.995987 549.1246 8.188980 549.6068 7.156998 550.0889 5.502823 550.5710 3.787125 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