#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:17:46 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1070 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000513.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_1000513 loop_ _publ_author_name 'Onac, B. P.' 'Effenberger, H. S.' _publ_section_title ; Re-examination of berlinite (AlPO4) from the Cioclovina Cave, Romania Locality: Cioclovina Cave, Romania ; _journal_name_full 'American Mineralogist' _journal_page_first 1998 _journal_page_last 2001 _journal_paper_doi 10.2138/am.2007.2581 _journal_volume 92 _journal_year 2007 _chemical_compound_source R130243 _chemical_formula_sum 'Al O4 P' _chemical_name_mineral Berlinite _space_group_IT_number 152 _symmetry_space_group_name_Hall 'P 31 2"' _symmetry_space_group_name_H-M 'P 31 2 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.9458 _cell_length_b 4.9458 _cell_length_c 10.9526 _cell_volume 232.018 _exptl_crystal_density_diffrn 2.618 _cod_original_formula_sum 'Al P O4' _cod_database_code 9010367 _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 R130243.rod _rod_data_source.block 3500000 _rod_database.code 1000513 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 9010367 COD http://www.crystallography.net/cod/9010367.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 103.2825 0.0000000E+00 103.7646 0.2688520 104.2467 2.936440 104.7288 8.968597 105.2109 17.75333 105.6931 29.14253 106.1752 42.38460 106.6573 57.72511 107.1394 79.34709 107.6215 95.92461 108.1036 108.0860 108.5858 115.5191 109.0679 115.6103 109.5500 103.5857 110.0321 88.26334 110.5142 74.24951 110.9963 58.90282 111.4785 47.42764 111.9606 40.62629 112.4427 38.34586 112.9248 38.83721 113.4069 41.96617 113.8890 47.55644 114.3712 55.51534 114.8533 65.63441 115.3354 78.17326 115.8175 94.46105 116.2996 113.7982 116.7817 134.9768 117.2639 160.0443 117.7460 186.5995 118.2281 211.8342 118.7102 241.2513 119.1923 264.3557 119.6744 275.1703 120.1566 272.9781 120.6387 260.5793 121.1208 234.9255 121.6029 200.3590 122.0850 165.7577 122.5671 133.1079 123.0493 103.7124 123.5314 79.08459 124.0135 59.83878 124.4956 44.32228 124.9777 31.79139 125.4598 21.97588 125.9420 14.14290 126.4241 8.211998 126.9062 3.892929 127.3883 0.7211760 127.8704 1.239296 128.3525 2.306526 128.8347 2.754593 129.3168 2.607147 129.7989 2.268562 130.2810 2.020004 130.7631 1.842598 131.2452 1.651749 131.7274 1.388214 132.2095 1.113007 132.6916 1.050064 133.1737 1.231934 133.6558 1.385414 134.1379 1.183830 134.6201 0.6328350 135.1022 0.1511990 135.5843 0.1351780 136.0664 0.2444230 136.5485 0.2513500 137.0306 0.3173830 137.5128 1.531494 137.9949 3.929329 138.4770 6.913719 138.9591 9.484970 139.4412 11.36840 139.9233 12.23449 140.4055 12.56368 140.8876 12.72134 141.3697 12.96468 141.8518 13.40663 142.3339 13.91677 142.8160 14.90918 143.2982 16.64925 143.7803 19.43251 144.2624 21.93766 144.7445 23.89955 145.2266 25.66605 145.7087 28.00074 146.1909 31.50546 146.6730 34.86298 147.1551 37.57195 147.6372 39.22081 148.1193 40.87202 148.6014 42.50123 149.0836 44.12977 149.5657 45.89488 150.0478 47.66161 150.5299 49.63415 151.0120 51.91975 151.4941 54.56578 151.9763 57.43471 152.4584 60.46725 152.9405 63.70004 153.4226 67.36950 153.9047 71.43542 154.3868 75.97839 154.8690 81.04153 155.3511 86.36656 155.8332 92.48644 156.3153 99.23177 156.7974 106.6863 157.2795 115.5186 157.7617 125.8077 158.2438 137.5608 158.7259 150.7840 159.2080 165.9406 159.6901 182.1317 160.1722 199.1093 160.6544 216.8779 161.1365 235.6601 161.6186 256.7458 162.1007 278.1530 162.5828 298.5546 163.0649 322.8228 163.5471 341.3149 164.0292 351.3091 164.5113 352.6767 164.9934 341.7065 165.4755 310.6372 165.9576 267.4987 166.4398 222.7346 166.9219 174.2902 167.4040 129.1839 167.8861 92.57764 168.3682 64.62597 168.8503 42.68690 169.3325 26.61971 169.8146 15.23116 170.2967 6.786095 170.7788 1.590149 171.2609 1.752083 171.7430 4.334568 172.2252 6.246563 172.7073 7.447456 173.1894 7.645336 173.6715 7.094509 174.1536 6.353329 174.6357 5.787945 175.1179 5.135399 175.6000 4.052597 176.0821 2.494366 176.5642 0.6503680 177.0463 1.331997 177.5284 3.466736 178.0106 5.758274 178.4927 8.307205 178.9748 11.00439 179.4569 13.59237 179.9390 16.04604 180.4211 18.48392 180.9033 21.08046 181.3854 23.82875 181.8675 26.61954 182.3496 29.31505 182.8317 32.00974 183.3138 35.11344 183.7960 38.70237 184.2781 42.53238 184.7602 46.12161 185.2423 49.54409 185.7244 53.03921 186.2065 56.92063 186.6887 61.16220 187.1708 65.59279 187.6529 70.14806 188.1350 74.97954 188.6171 80.18206 189.0992 85.80423 189.5814 91.93189 190.0635 98.60328 190.5456 105.8874 191.0277 113.5875 191.5098 121.6195 191.9919 130.2589 192.4741 139.9788 192.9562 150.7546 193.4383 162.1016 193.9204 173.8377 194.4025 185.9128 194.8846 197.6969 195.3668 209.3448 195.8489 220.4102 196.3310 230.2587 196.8131 239.0378 197.2952 245.4226 197.7773 248.0557 198.2595 246.8343 198.7416 244.6848 199.2237 241.5232 199.7058 238.0090 200.1879 235.8336 200.6700 234.9407 201.1522 235.5711 201.6343 237.8953 202.1164 241.9326 202.5985 247.5346 203.0806 254.6792 203.5627 263.3229 204.0449 273.3451 204.5270 284.8454 205.0091 297.3913 205.4912 310.5578 205.9733 324.1962 206.4554 339.4304 206.9376 356.7662 207.4197 375.6325 207.9018 394.4389 208.3839 412.9680 208.8660 432.0806 209.3481 452.3488 209.8303 474.2056 210.3124 495.7903 210.7945 517.0471 211.2766 537.7975 211.7587 558.2717 212.2408 578.9224 212.7230 598.4474 213.2051 616.2662 213.6872 632.4021 214.1693 646.8009 214.6514 659.3912 215.1335 670.1964 215.6157 678.7297 216.0978 684.7759 216.5799 689.0312 217.0620 691.7658 217.5441 692.4714 218.0262 693.0813 218.5084 693.6995 218.9905 694.3657 219.4726 695.3428 219.9547 696.9780 220.4368 698.3726 220.9189 698.9805 221.4011 698.7862 221.8832 697.9836 222.3653 696.8950 222.8474 695.2443 223.3295 691.6813 223.8116 686.2893 224.2938 679.0038 224.7759 669.6755 225.2580 658.0090 225.7401 645.1542 226.2222 630.7782 226.7043 615.2632 227.1865 599.4762 227.6686 583.6495 228.1507 567.6462 228.6328 551.4136 229.1149 534.6364 229.5970 518.1647 230.0792 502.3054 230.5613 486.9000 231.0434 471.7367 231.5255 457.1664 232.0076 442.7393 232.4897 428.4436 232.9719 414.6239 233.4540 400.2454 233.9361 384.8811 234.4182 368.9412 234.9003 353.5447 235.3824 338.7086 235.8646 324.2528 236.3467 310.0242 236.8288 295.7136 237.3109 282.2588 237.7930 269.7195 238.2751 257.9892 238.7573 247.1465 239.2394 237.2574 239.7215 228.1336 240.2036 219.6318 240.6857 211.8201 241.1678 204.4917 241.6500 197.7679 242.1321 191.5194 242.6142 185.2978 243.0963 179.1047 243.5784 172.9819 244.0605 167.0011 244.5427 161.1082 245.0248 155.4126 245.5069 149.9352 245.9890 144.6289 246.4711 139.5248 246.9532 134.7967 247.4354 129.9095 247.9175 124.6671 248.3996 118.8748 248.8817 113.2642 249.3638 107.8259 249.8459 102.5771 250.3281 97.55575 250.8102 92.78241 251.2923 88.18685 251.7744 83.68138 252.2565 79.27885 252.7386 75.08417 253.2208 71.04775 253.7029 67.25875 254.1850 63.81958 254.6671 60.87335 255.1492 57.97819 255.6313 54.99324 256.1135 51.88868 256.5956 48.94120 257.0777 46.14175 257.5598 43.54119 258.0419 41.27646 258.5240 39.55989 259.0062 37.75210 259.4883 35.58002 259.9704 33.03623 260.4525 30.85025 260.9346 29.14923 261.4167 27.69455 261.8989 26.20275 262.3810 24.64254 262.8631 23.15095 263.3452 21.81097 263.8273 20.61179 264.3094 19.41461 264.7916 18.13588 265.2737 16.89614 265.7558 15.82058 266.2379 14.98241 266.7200 14.09812 267.2021 13.06750 267.6843 11.92201 268.1664 10.87962 268.6485 9.925835 269.1306 9.113388 269.6127 8.567314 270.0948 8.384041 270.5770 8.017715 271.0591 7.314907 271.5412 6.369553 272.0233 5.612770 272.5054 5.106403 272.9875 4.658756 273.4697 4.129791 273.9518 3.494835 274.4339 2.903160 274.9160 2.374794 275.3981 1.902367 275.8802 1.433300 276.3624 0.9570620 276.8445 0.5618590 277.3266 0.3626520 277.8087 0.3822400 278.2908 0.2428780 278.7729 0.1282920 279.2551 0.6238250 279.7372 1.010654 280.2193 1.289768 280.7014 1.459980 281.1835 1.460556 281.6656 1.295986 282.1478 1.281712 282.6299 1.460205 283.1120 1.733032 283.5941 1.951218 284.0762 2.115330 284.5583 2.234962 285.0405 2.332985 285.5226 2.398956 286.0047 2.332951 286.4868 2.110233 286.9689 1.829788 287.4510 1.623745 287.9332 1.486755 288.4153 1.352097 288.8974 1.195396 289.3795 1.016911 289.8616 0.8250390 290.3438 0.6093600 290.8259 0.3843460 291.3080 0.2027240 291.7901 4.6246000E-02 292.2722 0.2264290 292.7543 0.7466660 293.2365 1.387825 293.7186 1.804752 294.2007 1.990505 294.6828 2.166031 295.1649 2.431053 295.6470 2.824890 296.1292 3.527328 296.6113 4.724155 297.0934 6.077641 297.5755 7.006866 298.0576 7.548603 298.5397 8.092705 299.0219 8.926773 299.5040 9.956669 299.9861 10.96421 300.4682 11.89642 300.9503 12.89416 301.4324 14.19557 301.9146 15.73838 302.3967 17.29474 302.8788 18.71282 303.3609 20.05111 303.8430 21.39897 304.3251 22.80218 304.8073 24.08590 305.2894 25.13375 305.7715 25.94280 306.2536 26.53393 306.7357 27.08130 307.2178 27.32095 307.7000 26.92397 308.1821 25.83488 308.6642 24.39549 309.1463 22.67682 309.6284 20.80790 310.1105 18.96311 310.5927 17.19325 311.0748 15.51916 311.5569 13.81183 312.0390 12.08198 312.5211 10.79253 313.0032 10.76064 313.4854 11.08078 313.9675 10.79168 314.4496 9.056820 314.9317 7.112221 315.4138 5.374950 315.8959 3.870743 316.3781 2.687706 316.8602 2.035351 317.3423 1.633587 317.8244 1.278503 318.3065 0.8545760 318.7886 0.5731430 319.2708 0.6495970 319.7529 0.9441830 320.2350 1.063778 320.7171 0.6398810 321.1992 0.2003710 321.6813 2.0992000E-02 322.1635 0.2479170 322.6456 0.4795530 323.1277 0.6081090 323.6098 0.6984980 324.0919 0.8600160 324.5740 1.198883 325.0562 1.527718 325.5383 1.780636 326.0204 1.931519 326.5025 2.101650 326.9846 2.193897 327.4667 2.352051 327.9489 2.731564 328.4310 3.590115 328.9131 4.384361 329.3952 5.034950 329.8773 5.540096 330.3594 5.987396 330.8416 6.185032 331.3237 6.482025 331.8058 7.147812 332.2879 8.356476 332.7700 9.719341 333.2521 11.20952 333.7343 12.82111 334.2164 14.60058 334.6985 16.66183 335.1806 18.65645 335.6627 20.47148 336.1448 22.23265 336.6270 23.36641 337.1091 23.85003 337.5912 23.69240 338.0733 22.80432 338.5554 21.05868 339.0375 18.95193 339.5197 16.54653 340.0018 13.84414 340.4839 11.61134 340.9660 9.948547 341.4481 8.604610 341.9302 7.298191 342.4124 6.010963 342.8945 4.925209 343.3766 4.131966 343.8587 3.588364 344.3408 3.038914 344.8229 2.480991 345.3051 1.972851 345.7872 1.621216 346.2693 1.393204 346.7514 1.033890 347.2335 0.4142300 347.7156 0.2587890 348.1978 0.5120510 348.6799 0.3751640 349.1620 0.2166820 349.6441 0.2675670 350.1262 0.4800910 350.6083 0.7772290 351.0905 1.181427 351.5726 1.557091 352.0547 1.733009 352.5368 1.748505 353.0189 1.721752 353.5010 1.746620 353.9832 1.743999 354.4653 1.595463 354.9474 1.293823 355.4295 0.9645040 355.9116 0.8245580 356.3937 0.6936110 356.8759 0.3060840 357.3580 0.5722200 357.8401 1.628990 358.3222 2.693947 358.8043 3.772938 359.2864 4.836174 359.7686 5.741035 360.2507 6.697369 360.7328 7.861862 361.2149 9.250034 361.6970 10.89806 362.1791 12.85959 362.6613 15.09233 363.1434 17.49941 363.6255 20.21040 364.1076 22.95926 364.5897 25.60228 365.0718 27.97840 365.5540 30.56484 366.0361 33.38725 366.5182 36.47924 367.0003 39.88134 367.4824 43.28234 367.9645 47.31842 368.4467 52.14801 368.9288 57.70081 369.4109 63.96354 369.8930 70.80291 370.3751 78.45749 370.8572 87.08513 371.3394 96.23890 371.8215 106.9806 372.3036 119.7162 372.7857 134.0984 373.2678 149.5640 373.7499 168.3675 374.2321 184.5051 374.7142 195.0057 375.1963 199.3452 375.6784 199.8148 376.1605 194.4120 376.6426 187.6772 377.1248 186.5166 377.6069 191.2025 378.0890 199.9059 378.5711 214.2129 379.0532 232.6915 379.5353 245.5324 380.0175 253.6276 380.4996 252.2297 380.9817 233.3332 381.4638 198.9174 381.9459 163.7434 382.4280 129.7121 382.9102 98.40877 383.3923 73.99061 383.8744 56.00091 384.3565 41.89727 384.8386 30.96321 385.3207 22.61612 385.8029 16.31045 386.2850 12.09679 386.7671 9.024040 387.2492 6.337540 387.7313 4.021206 388.2134 2.092594 388.6956 0.6915130 389.1777 0.3859020 389.6598 1.304394 390.1419 2.063084 390.6240 2.664688 391.1061 3.100769 391.5883 3.389072 392.0704 3.545799 392.5525 3.532330 393.0346 3.447002 393.5167 3.305618 393.9988 3.121872 394.4810 2.932068 394.9631 2.911659 395.4452 2.761234 395.9273 2.300659 396.4094 1.422401 396.8915 0.5106960 397.3737 0.3375700 397.8558 1.190884 398.3379 2.133358 398.8200 2.924412 399.3021 4.070950 399.7842 5.717793 400.2664 7.859703 400.7485 10.16946 401.2306 12.69389 401.7127 15.30814 402.1948 17.92342 402.6769 20.50654 403.1591 23.13553 403.6412 25.76108 404.1233 28.45655 404.6054 31.51618 405.0875 34.98933 405.5696 38.50502 406.0518 41.86568 406.5339 45.08029 407.0160 48.73053 407.4981 52.77490 407.9802 57.20283 408.4623 61.84686 408.9445 66.73835 409.4266 72.47590 409.9087 79.18671 410.3908 86.87586 410.8729 95.53354 411.3550 105.1968 411.8372 115.6159 412.3193 126.6058 412.8014 138.3447 413.2835 151.2852 413.7656 165.5667 414.2477 181.0273 414.7299 197.9331 415.2120 215.9211 415.6941 233.5481 416.1762 251.4753 416.6583 268.0597 417.1404 282.8398 417.6226 295.7707 418.1047 303.8695 418.5868 305.7508 419.0689 301.9168 419.5510 292.6758 420.0331 276.0605 420.5153 256.8015 420.9974 234.8935 421.4795 211.6385 421.9616 191.2225 422.4437 174.3871 422.9258 160.6257 423.4080 149.9864 423.8901 142.7855 424.3722 137.1331 424.8543 133.2516 425.3364 130.6905 425.8185 129.0196 426.3007 127.9858 426.7828 128.2078 427.2649 129.9238 427.7470 133.0017 428.2291 136.5930 428.7112 140.2453 429.1934 145.1618 429.6755 152.0580 430.1576 160.9462 430.6397 171.3812 431.1218 182.8602 431.6039 196.5963 432.0861 214.5274 432.5682 236.6986 433.0503 262.9559 433.5324 293.3515 434.0145 327.9345 434.4966 366.7493 434.9788 409.7837 435.4609 457.2751 435.9430 509.3997 436.4251 566.7275 436.9072 630.9238 437.3893 703.9559 437.8715 780.7711 438.3536 869.9023 438.8357 960.2648 439.3178 1020.913 439.7999 1043.227 440.2820 1023.864 440.7642 947.3153 441.2463 812.1318 441.7284 671.7375 442.2105 537.8381 442.6926 419.8226 443.1747 326.9128 443.6569 268.8029 444.1390 227.2917 444.6211 201.3872 445.1032 188.5303 445.5853 182.1768 446.0674 183.6591 446.5496 189.0022 447.0317 197.0996 447.5138 208.5013 447.9959 220.7871 448.4780 233.8297 448.9601 247.9414 449.4423 263.6129 449.9244 280.5608 450.4065 299.3443 450.8886 320.0873 451.3707 342.6401 451.8528 366.9779 452.3350 392.9585 452.8171 421.7910 453.2992 454.0746 453.7813 489.9529 454.2634 530.8623 454.7455 576.8322 455.2277 628.8353 455.7098 688.5981 456.1919 755.7188 456.6740 831.8486 457.1561 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