#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:06 +0300 (Thu, 07 Jun 2018) $ #$Revision: 919 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000392.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_1000392 loop_ _publ_author_name 'Araki, T.' 'Finney, J. J.' 'Zoltai, T.' _publ_section_title ; The crystal structure of augelite ; _journal_name_full 'American Mineralogist' _journal_page_first 1096 _journal_page_last 1103 _journal_volume 53 _journal_year 1968 _chemical_compound_source R050100 _chemical_formula_sum 'Al2 H3 O7 P' _chemical_name_mineral Augelite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 112.25 _cell_angle_gamma 90 _cell_length_a 13.124 _cell_length_b 7.988 _cell_length_c 5.066 _cell_volume 491.547 _exptl_crystal_density_diffrn 2.702 _cod_original_formula_sum 'Al2 P O7 H3' _cod_database_code 9000172 _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 R050100.rod _rod_data_source.block 3500000 _rod_database.code 1000392 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 9000172 COD http://www.crystallography.net/cod/9000172.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 139.2989 0.0000000E+00 139.7810 4.917969 140.2631 7.060059 140.7453 4.095703 141.2274 27.15381 141.7095 61.52148 142.1916 101.0864 142.6737 142.7910 143.1558 204.3428 143.6380 282.9375 144.1201 381.7983 144.6022 510.3257 145.0843 691.8564 145.5664 820.6660 146.0485 918.3931 146.5307 964.9185 147.0128 1029.389 147.4949 1114.756 147.9770 1217.013 148.4591 1323.727 148.9412 1443.578 149.4234 1560.845 149.9055 1668.640 150.3876 1754.436 150.8697 1846.063 151.3518 1940.033 151.8339 2038.154 152.3161 2152.194 152.7982 2301.063 153.2803 2458.894 153.7624 2607.166 154.2445 2737.735 154.7266 2864.184 155.2087 2986.912 155.6909 3104.112 156.1730 3221.977 156.6551 3345.016 157.1372 3467.939 157.6193 3586.074 158.1014 3695.629 158.5836 3800.896 159.0657 3907.898 159.5478 4023.685 160.0299 4118.520 160.5120 4184.956 160.9941 4222.810 161.4763 4231.553 161.9584 4203.395 162.4405 4150.993 162.9226 4083.719 163.4047 4001.446 163.8868 3904.136 164.3690 3790.138 164.8511 3663.410 165.3332 3525.148 165.8153 3387.549 166.2974 3252.675 166.7795 3105.676 167.2617 2946.026 167.7438 2774.102 168.2259 2595.297 168.7080 2437.929 169.1901 2295.744 169.6722 2163.094 170.1544 2036.002 170.6365 1907.427 171.1186 1791.434 171.6007 1682.849 172.0828 1570.836 172.5649 1461.257 173.0471 1355.600 173.5292 1255.864 174.0113 1163.534 174.4934 1081.796 174.9755 1026.364 175.4576 979.6614 175.9397 910.3850 176.4219 804.8428 176.9040 697.9175 177.3861 633.8481 177.8682 607.7305 178.3503 587.8584 178.8324 554.6128 179.3146 511.6633 179.7967 466.1709 180.2788 418.9729 180.7609 372.0151 181.2430 327.7280 181.7251 286.5000 182.2073 250.5813 182.6894 225.5618 183.1715 208.8945 183.6536 191.0476 184.1357 168.7302 184.6178 143.3464 185.1000 114.9338 185.5821 82.14014 186.0642 54.42676 186.5463 44.32129 187.0284 50.50000 187.5105 59.14136 187.9927 68.59863 188.4748 77.03516 188.9569 72.32983 189.4390 51.04932 189.9211 25.90552 190.4032 19.61084 190.8854 32.68311 191.3675 40.22632 191.8496 23.25415 192.3317 15.83154 192.8138 40.44165 193.2959 44.25708 193.7781 38.36499 194.2602 51.25024 194.7423 86.79004 195.2244 112.4382 195.7065 96.27441 196.1886 36.54541 196.6708 1.642822 197.1529 4.626221 197.6350 35.02271 198.1171 57.47217 198.5992 71.26685 199.0813 80.11108 199.5634 88.42847 200.0456 97.35327 200.5277 95.73169 201.0098 77.09229 201.4919 44.77979 201.9740 27.99854 202.4561 31.94434 202.9383 39.99292 203.4204 33.13672 203.9025 7.885254 204.3846 16.33350 204.8667 32.43237 205.3488 40.33960 205.8310 57.57031 206.3131 86.96069 206.7952 121.5566 207.2773 152.6377 207.7594 180.8374 208.2415 203.1736 208.7237 214.5823 209.2058 211.2463 209.6879 223.8594 210.1700 256.1792 210.6521 301.2676 211.1342 348.4504 211.6164 401.5901 212.0985 446.8057 212.5806 473.3630 213.0627 470.0613 213.5448 487.9873 214.0269 534.8601 214.5091 600.8804 214.9912 657.0669 215.4733 695.6375 215.9554 737.3394 216.4375 797.5994 216.9196 887.0532 217.4018 959.2717 217.8839 999.9868 218.3660 1019.845 218.8481 1074.307 219.3302 1176.335 219.8123 1293.052 220.2945 1399.419 220.7766 1485.351 221.2587 1585.063 221.7408 1707.163 222.2229 1850.301 222.7050 1982.362 223.1871 2108.544 223.6693 2219.035 224.1514 2311.142 224.6335 2400.034 225.1156 2437.643 225.5977 2411.485 226.0798 2320.931 226.5620 2201.638 227.0441 2039.480 227.5262 1863.902 228.0083 1704.147 228.4904 1569.042 228.9725 1436.316 229.4547 1296.595 229.9368 1143.831 230.4189 1022.192 230.9010 940.8232 231.3831 882.5083 231.8652 822.9646 232.3474 754.1621 232.8295 696.2700 233.3116 655.2190 233.7937 631.4106 234.2758 619.8652 234.7579 629.7422 235.2401 647.4004 235.7222 647.1829 236.2043 615.5659 236.6864 587.0205 237.1685 574.7729 237.6507 586.4858 238.1328 592.1912 238.6149 585.3059 239.0970 574.6663 239.5791 581.5815 240.0612 615.7705 240.5434 653.3938 241.0255 684.6172 241.5076 708.1721 241.9897 728.5051 242.4718 743.2876 242.9539 755.4624 243.4360 773.9734 243.9182 803.2290 244.4003 832.0193 244.8824 853.7495 245.3645 859.3672 245.8466 877.8943 246.3287 910.6067 246.8109 956.9688 247.2930 1016.463 247.7751 1093.125 248.2572 1175.923 248.7393 1260.688 249.2214 1351.486 249.7036 1432.000 250.1857 1499.483 250.6678 1554.036 251.1499 1600.309 251.6320 1646.627 252.1141 1673.762 252.5963 1666.445 253.0784 1618.084 253.5605 1555.270 254.0426 1484.113 254.5247 1402.647 255.0068 1295.894 255.4890 1146.688 255.9711 991.8530 256.4532 857.4951 256.9353 744.6160 257.4174 650.9751 257.8995 579.7415 258.3817 530.2578 258.8638 476.4539 259.3459 413.8206 259.8280 354.2769 260.3101 307.7925 260.7922 277.7329 261.2744 252.7383 261.7565 234.4126 262.2386 221.8711 262.7207 201.0359 263.2028 166.7461 263.6849 130.6797 264.1671 102.9224 264.6492 83.03784 265.1313 73.11475 265.6134 77.41309 266.0955 95.08032 266.5776 102.4011 267.0598 95.62183 267.5419 84.59570 268.0240 80.77832 268.5061 86.54492 268.9882 90.94482 269.4703 91.20508 269.9525 87.42871 270.4346 81.98096 270.9167 74.27881 271.3988 66.10449 271.8809 57.92139 272.3630 48.36475 272.8452 46.46191 273.3273 59.18311 273.8094 85.57764 274.2915 98.55029 274.7736 95.21631 275.2557 84.88135 275.7379 80.16943 276.2200 82.23682 276.7021 80.89453 277.1842 68.24463 277.6663 45.98584 278.1484 44.38623 278.6305 69.77246 279.1126 99.29248 279.5948 97.51855 280.0769 62.03125 280.5590 30.05078 281.0411 17.53516 281.5232 22.39258 282.0053 21.42773 282.4875 13.09961 282.9696 3.628418 283.4517 2.464355 283.9338 9.607910 284.4159 16.34814 284.8980 21.61572 285.3802 24.39844 285.8623 14.85596 286.3444 9.708008 286.8265 36.02393 287.3086 45.65918 287.7907 39.65527 288.2729 31.34912 288.7550 26.35352 289.2371 23.69629 289.7192 21.59961 290.2013 21.22266 290.6834 16.15283 291.1656 7.429688 291.6477 45.84473 292.1298 77.05811 292.6119 84.78760 293.0940 77.92383 293.5761 80.15625 294.0583 92.64990 294.5404 110.2764 295.0225 131.8979 295.5046 155.3604 295.9867 171.8242 296.4688 174.1191 296.9510 167.5547 297.4331 163.3418 297.9152 162.6045 298.3973 158.1597 298.8794 141.8120 299.3615 115.9150 299.8437 86.51709 300.3258 44.50391 300.8079 5.395996 301.2900 4.816406 301.7721 17.77686 302.2542 44.15186 302.7364 45.56934 303.2185 31.59570 303.7006 21.87793 304.1827 30.55176 304.6648 45.14990 305.1469 53.45654 305.6291 54.70703 306.1112 51.70312 306.5933 40.26611 307.0754 26.60840 307.5575 21.33789 308.0396 37.79932 308.5218 58.67188 309.0039 68.86230 309.4860 66.83203 309.9681 66.50195 310.4502 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337.4487 320.4185 337.9308 269.2627 338.4130 247.4009 338.8951 257.8760 339.3772 263.9189 339.8593 261.6416 340.3414 253.1973 340.8235 237.9458 341.3057 213.5552 341.7878 204.2295 342.2699 239.4604 342.7520 312.8989 343.2341 349.6519 343.7162 334.3994 344.1984 296.8579 344.6805 291.3623 345.1626 316.8765 345.6447 341.5049 346.1268 342.6953 346.6089 328.0112 347.0911 320.6636 347.5732 323.7710 348.0553 328.9966 348.5374 323.8994 349.0195 312.3530 349.5016 305.2524 349.9838 310.8311 350.4659 323.7803 350.9480 337.3975 351.4301 351.9438 351.9122 364.3823 352.3943 369.8960 352.8765 371.2871 353.3586 374.3594 353.8407 381.0767 354.3228 390.9399 354.8049 401.7578 355.2870 413.0972 355.7692 431.7578 356.2513 467.9458 356.7334 512.5088 357.2155 553.4194 357.6976 580.8608 358.1797 607.6069 358.6619 640.3013 359.1440 679.0474 359.6261 721.0854 360.1082 762.1216 360.5903 806.7437 361.0724 859.1250 361.5546 920.6885 362.0367 989.8726 362.5188 1067.934 363.0009 1154.364 363.4830 1244.669 363.9651 1343.958 364.4473 1442.981 364.9294 1536.372 365.4115 1646.589 365.8936 1723.267 366.3757 1760.709 366.8578 1760.925 367.3399 1734.228 367.8221 1671.525 368.3042 1590.344 368.7863 1497.639 369.2684 1389.713 369.7505 1275.583 370.2326 1154.420 370.7148 1028.875 371.1969 905.5435 371.6790 778.6748 372.1611 666.5913 372.6432 579.6875 373.1253 524.9600 373.6075 468.5044 374.0896 407.5527 374.5717 348.5713 375.0538 304.2744 375.5359 277.7471 376.0180 249.9785 376.5002 209.5020 376.9823 157.6689 377.4644 121.9663 377.9465 105.6675 378.4286 95.54590 378.9107 72.09277 379.3929 36.56104 379.8750 11.00000 380.3571 8.718750 380.8392 20.27002 381.3213 17.67578 381.8034 0.3227540 382.2856 18.85205 382.7677 31.50586 383.2498 36.83545 383.7319 31.11963 384.2140 2.557617 384.6961 27.09424 385.1783 24.21680 385.6604 7.337891 386.1425 36.51611 386.6246 38.06787 387.1067 26.83984 387.5888 22.36475 388.0710 33.69775 388.5531 45.22803 389.0352 45.73242 389.5173 37.42480 389.9994 26.85107 390.4815 14.96094 390.9637 3.336426 391.4458 7.131836 391.9279 16.58936 392.4100 23.90479 392.8921 25.81250 393.3742 25.43604 393.8564 28.31201 394.3385 34.14844 394.8206 44.77002 395.3027 63.98193 395.7848 97.05078 396.2669 118.4575 396.7491 100.6426 397.2312 79.67920 397.7133 98.30908 398.1954 201.4761 398.6775 287.8789 399.1596 333.9458 399.6418 338.4858 400.1239 354.8433 400.6060 390.9897 401.0881 430.3809 401.5702 457.0571 402.0523 461.9800 402.5345 480.0537 403.0166 518.9321 403.4987 574.2324 403.9808 629.5142 404.4629 686.1538 404.9450 735.5820 405.4272 771.8535 405.9093 794.8271 406.3914 807.5708 406.8735 808.5830 407.3556 802.1562 407.8377 796.9956 408.3199 792.7661 408.8020 783.1606 409.2841 764.6670 409.7662 738.0674 410.2483 705.3076 410.7304 666.3984 411.2126 623.4478 411.6946 568.0781 412.1768 509.7520 412.6589 471.5864 413.1410 477.9858 413.6231 502.2188 414.1052 516.1714 414.5873 519.7349 415.0695 524.3750 415.5516 542.3398 416.0337 563.9644 416.5158 577.7549 416.9979 573.0552 417.4800 566.9756 417.9622 563.4722 418.4443 563.8862 418.9264 574.9971 419.4085 614.2554 419.8906 654.7466 420.3727 679.1797 420.8549 673.3931 421.3370 669.8613 421.8191 678.1611 422.3012 692.5312 422.7833 697.2539 423.2654 683.4595 423.7476 665.7153 424.2297 647.7339 424.7118 628.2383 425.1939 613.4170 425.6760 604.9341 426.1581 601.1138 426.6403 598.8818 427.1224 598.5527 427.6045 593.4258 428.0866 580.2627 428.5687 560.0625 429.0508 542.5791 429.5330 526.4023 430.0151 519.5894 430.4972 535.2188 430.9793 571.6743 431.4614 595.4155 431.9435 595.7881 432.4257 585.1499 432.9078 591.6279 433.3899 614.7383 433.8720 636.9385 434.3541 639.5381 434.8362 631.9517 435.3184 636.2026 435.8005 656.4453 436.2826 683.7441 436.7647 716.4360 437.2468 750.0659 437.7289 773.6230 438.2111 775.3643 438.6932 770.4761 439.1753 771.8491 439.6574 780.0610 440.1395 780.6665 440.6216 757.3745 441.1038 728.1265 441.5859 711.8232 442.0680 730.9204 442.5501 746.2046 443.0322 746.7261 443.5143 733.3594 443.9965 713.5410 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214.1792 471.4771 220.3232 471.9592 200.5776 472.4413 170.6665 472.9234 141.9810 473.4055 115.6680 473.8877 100.0234 474.3698 100.8994 474.8519 109.2153 475.3340 108.3511 475.8161 100.1079 476.2982 95.80371 476.7804 115.0728 477.2625 137.2168 477.7446 133.9321 478.2267 95.94141 478.7088 53.93799 479.1909 21.05078 479.6731 1.546387 480.1552 11.95898 480.6373 0.7563480 481.1194 16.47803 481.6015 29.30420 482.0836 38.96045 482.5658 39.40723 483.0479 14.99121 483.5300 10.12158 484.0121 18.55420 484.4942 9.631836 484.9763 26.71533 485.4585 27.63037 485.9406 16.82715 486.4227 5.200684 486.9048 9.163086 487.3869 19.88623 487.8690 23.18652 488.3512 18.35791 488.8333 14.52490 489.3154 10.74072 489.7975 10.61475 490.2796 23.72949 490.7617 48.57178 491.2439 61.43506 491.7260 51.41504 492.2081 29.16113 492.6902 13.50488 493.1723 4.498047 493.6544 0.4238280 494.1366 2.748047 494.6187 2.060059 495.1008 4.259277 495.5829 19.54395 496.0650 30.29492 496.5471 23.56006 497.0293 6.320801 497.5114 9.295898 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