#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:39 +0300 (Thu, 07 Jun 2018) $ #$Revision: 982 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000440.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_1000440 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 R050316 _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 R050316.rod _rod_data_source.block 3500000 _rod_database.code 1000440 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 106.8170 0.0000000E+00 107.2991 1.121330 107.7813 2.174366 108.2634 2.786598 108.7455 2.748653 109.2276 2.242878 109.7097 1.063683 110.1918 7.8277998E-02 110.6740 0.5543210 111.1561 0.9974980 111.6382 0.9999470 112.1203 0.6939930 112.6024 1.7227000E-02 113.0845 1.335091 113.5667 3.327881 114.0488 6.005646 114.5309 9.453110 115.0130 14.32101 115.4951 19.28713 115.9772 23.82871 116.4594 28.01055 116.9415 32.61806 117.4236 38.09120 117.9057 44.09087 118.3878 50.22200 118.8699 55.72112 119.3521 61.85173 119.8342 69.41488 120.3163 78.48795 120.7984 88.63715 121.2805 99.96132 121.7626 112.1560 122.2448 124.7027 122.7269 138.4639 123.2090 151.9202 123.6911 163.4868 124.1732 172.8306 124.6553 180.9712 125.1375 188.8143 125.6196 196.2255 126.1017 202.7811 126.5838 207.9887 127.0659 212.2057 127.5480 216.0389 128.0302 219.5091 128.5123 222.8370 128.9944 226.7038 129.4765 230.9820 129.9586 234.4617 130.4407 236.5438 130.9229 237.1725 131.4050 235.9749 131.8871 232.4887 132.3692 227.5099 132.8513 222.6682 133.3334 217.4070 133.8156 210.7424 134.2977 203.1437 134.7798 195.8410 135.2619 189.2143 135.7440 182.9657 136.2261 177.4597 136.7083 174.2097 137.1904 173.3497 137.6725 174.1406 138.1546 176.0254 138.6367 179.1238 139.1188 182.6030 139.6010 185.8911 140.0831 188.9516 140.5652 194.6802 141.0473 203.7249 141.5294 214.5430 142.0115 225.0388 142.4937 235.1129 142.9758 245.3131 143.4579 255.8092 143.9400 266.4178 144.4221 277.8718 144.9042 290.1147 145.3864 303.2151 145.8685 317.0387 146.3506 332.0408 146.8327 347.2812 147.3148 362.6527 147.7969 378.1090 148.2791 393.5493 148.7612 408.3379 149.2433 423.0923 149.7254 439.5497 150.2075 457.7968 150.6896 477.5727 151.1718 498.7299 151.6539 522.4710 152.1360 545.7202 152.6181 567.5930 153.1002 588.8277 153.5823 611.4928 154.0645 636.1973 154.5466 662.2707 155.0287 689.3285 155.5108 718.4224 155.9929 747.6928 156.4750 776.4229 156.9572 804.9099 157.4393 833.7631 157.9214 865.4312 158.4035 896.4089 158.8856 924.6100 159.3677 949.8442 159.8499 972.1459 160.3320 991.8081 160.8141 1008.669 161.2962 1021.461 161.7783 1031.346 162.2604 1036.134 162.7426 1034.014 163.2247 1024.490 163.7068 1008.026 164.1889 983.4281 164.6710 950.7524 165.1531 914.6256 165.6353 875.5250 166.1174 834.6016 166.5995 793.0926 167.0816 750.6505 167.5637 708.3340 168.0458 666.2454 168.5280 624.7525 169.0101 584.5131 169.4922 546.3462 169.9743 510.0243 170.4564 475.4760 170.9385 442.5074 171.4207 411.3676 171.9028 382.1942 172.3849 355.1366 172.8670 330.0496 173.3491 306.7548 173.8312 285.1608 174.3134 265.0154 174.7955 246.5404 175.2776 229.4887 175.7597 213.9287 176.2418 199.8411 176.7239 186.5210 177.2061 172.5372 177.6882 158.3593 178.1703 145.5292 178.6524 135.1204 179.1345 126.2804 179.6166 117.8916 180.0988 109.8704 180.5809 101.9497 181.0630 93.40210 181.5451 84.46521 182.0272 76.46452 182.5093 70.16870 182.9915 65.21107 183.4736 61.03915 183.9557 57.74994 184.4378 54.58832 184.9199 50.28246 185.4020 45.04974 185.8842 39.85712 186.3663 35.23935 186.8484 31.10730 187.3305 27.31850 187.8126 23.81792 188.2947 20.66267 188.7769 18.12250 189.2590 16.16365 189.7411 14.08083 190.2232 11.04530 190.7053 7.334854 191.1874 4.756989 191.6696 3.616760 192.1517 3.297333 192.6338 2.781372 193.1159 2.070129 193.5980 1.147903 194.0801 0.2013700 194.5623 1.914398 195.0444 3.140091 195.5265 3.744720 196.0086 3.896576 196.4907 3.872284 196.9728 3.652969 197.4550 3.426392 197.9371 3.363876 198.4192 3.471741 198.9013 3.414368 199.3834 3.215805 199.8655 2.786758 200.3477 1.808701 200.8298 0.1852870 201.3119 1.551056 201.7940 2.780441 202.2761 3.340393 202.7582 5.384567 203.2404 9.561905 203.7225 14.99826 204.2046 19.06985 204.6867 21.35066 205.1688 23.74944 205.6509 27.50018 206.1331 32.80698 206.6152 38.25478 207.0973 43.81659 207.5794 49.39833 208.0615 54.66084 208.5436 59.49960 209.0258 64.31804 209.5079 69.34731 209.9900 74.62982 210.4721 80.01302 210.9542 85.26637 211.4363 90.61655 211.9185 97.07259 212.4006 105.0528 212.8827 113.2911 213.3648 120.5884 213.8469 126.3723 214.3290 133.5596 214.8112 142.6477 215.2933 153.1393 215.7754 163.6323 216.2575 173.8486 216.7396 184.9835 217.2217 197.6046 217.7038 211.8584 218.1860 226.3555 218.6681 240.8914 219.1502 255.7283 219.6323 271.5015 220.1144 288.5911 220.5965 305.7126 221.0787 321.8005 221.5608 336.0364 222.0429 351.4203 222.5250 368.7652 223.0071 387.3362 223.4892 404.1529 223.9714 420.7062 224.4535 433.3728 224.9356 441.1131 225.4177 446.2192 225.8998 440.4570 226.3819 421.3644 226.8641 391.2646 227.3462 358.2308 227.8283 320.1105 228.3104 282.3535 228.7925 247.8978 229.2746 215.6179 229.7568 188.4416 230.2389 166.8686 230.7210 150.0445 231.2031 136.2402 231.6852 126.2054 232.1673 118.1374 232.6495 111.3032 233.1316 105.6842 233.6137 101.4187 234.0958 98.89799 234.5779 97.70364 235.0600 96.68700 235.5422 95.71846 236.0243 95.09702 236.5064 94.97289 236.9885 95.48592 237.4706 96.14165 237.9527 96.63770 238.4349 97.35429 238.9170 99.27895 239.3991 102.7414 239.8812 106.9181 240.3633 111.5230 240.8454 116.6675 241.3276 121.8980 241.8097 126.7791 242.2918 131.8429 242.7739 138.3220 243.2560 146.9677 243.7381 155.9044 244.2203 164.1828 244.7024 170.8098 245.1845 179.6057 245.6666 191.1888 246.1487 204.5986 246.6308 218.1627 247.1130 231.2197 247.5951 245.6310 248.0772 262.4951 248.5593 283.3717 249.0414 301.3815 249.5235 316.5170 250.0057 328.7690 250.4878 338.8417 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331.0013 104.0430 331.4834 101.7749 331.9655 99.40108 332.4476 97.36088 332.9297 94.81933 333.4119 91.42501 333.8940 87.47030 334.3761 84.56684 334.8582 83.38169 335.3403 82.20803 335.8224 80.09938 336.3046 76.59449 336.7867 73.60695 337.2688 71.29486 337.7509 69.41522 338.2330 67.39855 338.7151 65.12981 339.1973 63.15575 339.6794 61.84514 340.1615 61.23410 340.6436 59.95630 341.1257 57.73594 341.6078 55.48349 342.0899 54.40485 342.5721 54.57791 343.0542 55.18648 343.5363 56.11097 344.0184 57.22981 344.5005 58.08572 344.9826 58.61476 345.4648 59.30751 345.9469 60.70598 346.4290 62.72795 346.9111 64.57951 347.3932 65.99869 347.8753 67.30339 348.3575 69.16017 348.8396 71.51717 349.3217 73.91562 349.8038 76.00549 350.2859 77.85838 350.7680 79.62923 351.2502 81.30615 351.7323 83.00545 352.2144 84.89494 352.6965 86.93468 353.1786 88.94127 353.6607 90.60802 354.1429 92.29907 354.6250 94.47891 355.1071 97.17577 355.5892 100.1756 356.0713 103.1018 356.5534 106.2739 357.0356 110.1608 357.5177 114.8737 357.9998 120.4383 358.4819 126.8785 358.9640 134.1520 359.4461 141.8799 359.9283 149.3132 360.4104 157.4274 360.8925 167.1051 361.3746 178.9851 361.8567 191.6776 362.3388 204.6761 362.8210 218.0091 363.3031 232.0503 363.7852 248.1666 364.2673 263.9936 364.7494 278.6305 365.2315 292.1631 365.7137 303.8712 366.1958 314.5976 366.6779 322.9593 367.1600 327.4251 367.6421 329.1518 368.1242 325.6013 368.6064 315.6428 369.0885 299.0018 369.5706 279.4142 370.0527 254.1507 370.5348 227.9585 371.0169 203.5182 371.4991 181.3479 371.9812 160.4478 372.4633 140.4449 372.9454 121.6098 373.4275 105.4138 373.9096 92.47433 374.3918 80.79260 374.8739 69.66191 375.3560 58.78543 375.8381 49.22099 376.3202 41.14624 376.8023 34.27911 377.2845 28.30571 377.7666 23.31540 378.2487 18.98170 378.7308 15.38855 379.2129 12.42183 379.6950 9.591827 380.1772 6.826080 380.6593 4.450348 381.1414 2.928574 381.6235 2.175064 382.1056 1.253571 382.5877 0.1031340 383.0699 1.607330 383.5520 2.764389 384.0341 3.588638 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438.0312 119.5883 438.5133 120.4772 438.9954 120.9493 439.4775 121.8505 439.9596 124.2799 440.4417 126.9094 440.9239 128.3690 441.4060 128.5784 441.8881 128.6877 442.3702 129.3468 442.8523 130.2553 443.3344 131.1409 443.8166 132.4860 444.2987 133.0973 444.7808 132.2174 445.2629 130.2944 445.7450 128.5963 446.2271 127.6259 446.7093 126.7723 447.1914 125.6914 447.6735 124.0504 448.1556 123.2433 448.6377 123.7314 449.1198 124.6924 449.6020 125.3755 450.0841 125.8499 450.5662 125.8690 451.0483 125.3438 451.5304 124.3342 452.0125 123.0153 452.4947 121.2082 452.9768 119.6146 453.4589 118.7201 453.9410 118.5388 454.4231 118.2545 454.9052 117.9050 455.3874 117.2482 455.8695 115.9391 456.3516 114.0065 456.8337 111.7144 457.3158 108.9912 457.7979 106.0600 458.2801 103.2216 458.7622 100.5011 459.2443 97.97696 459.7264 95.81412 460.2085 93.86554 460.6906 92.06985 461.1728 90.51743 461.6549 88.67908 462.1370 86.09462 462.6191 83.02765 463.1012 79.91356 463.5833 76.56136 464.0655 73.51863 464.5476 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