#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:45 +0300 (Thu, 07 Jun 2018) $ #$Revision: 997 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000454.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_1000454 loop_ _publ_author_name 'Hazen, R. M.' 'Burnham, C. W.' _publ_section_title ; The crystal structures of one-layer phlogopite and annite ; _journal_name_full 'American Mineralogist' _journal_page_first 889 _journal_page_last 900 _journal_volume 58 _journal_year 1973 _chemical_compound_source R060204 _chemical_formula_sum 'Al1.282 Ca0.03 Cl0.05 F0.22 Fe2.43 H1.38 K0.88 Mg0.12 Mn0.03 Na0.07 O11.73 Si2.808 Ti0.21' _chemical_name_mineral Annite _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 100.63 _cell_angle_gamma 90 _cell_length_a 5.3860 _cell_length_b 9.3241 _cell_length_c 10.2683 _cell_volume 506.820 _exptl_crystal_density_diffrn 3.250 _cod_original_formula_sum ;Al1.282 Ca0.03 Cl0.05 F0.22 Fe2.43 H1.38 K0.88 Mg0.12 Mn0.03 Na0.07 O11.73 Si2.808 Ti0.21 ; _cod_database_code 9000377 _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 R060204.rod _rod_data_source.block 3500000 _rod_database.code 1000454 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 9000377 COD http://www.crystallography.net/cod/9000377.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 145.5931 0.0000000E+00 146.0752 6.811035 146.5573 3.857056 147.0394 1.347595 147.5215 2.172424 148.0036 3.7842002E-02 148.4858 4.713501 148.9679 12.75745 149.4500 23.65320 149.9321 37.60345 150.4142 54.62653 150.8963 76.68494 151.3785 100.0947 151.8606 123.3655 152.3427 146.2160 152.8248 170.4233 153.3069 195.7087 153.7890 222.4171 154.2712 247.6349 154.7533 267.9414 155.2354 287.8130 155.7175 307.0833 156.1996 325.0269 156.6817 342.9514 157.1639 361.0673 157.6460 379.3416 158.1281 397.2724 158.6102 414.4991 159.0923 431.5482 159.5744 448.7053 160.0566 465.4932 160.5387 482.8517 161.0208 501.0854 161.5029 520.0111 161.9850 539.0687 162.4671 558.2686 162.9493 577.4685 163.4314 596.5000 163.9135 614.5536 164.3956 633.4965 164.8777 653.9882 165.3598 676.0846 165.8420 700.0204 166.3241 727.4261 166.8062 755.9167 167.2883 783.3522 167.7704 807.8710 168.2525 832.3168 168.7346 858.8642 169.2168 887.2081 169.6989 915.6609 170.1810 943.3960 170.6631 970.5906 171.1452 997.6132 171.6273 1025.664 172.1095 1052.409 172.5916 1075.871 173.0737 1096.226 173.5558 1115.193 174.0379 1134.927 174.5201 1153.929 175.0022 1170.115 175.4843 1182.840 175.9664 1192.402 176.4485 1198.609 176.9306 1201.573 177.4128 1202.201 177.8949 1202.276 178.3770 1200.649 178.8591 1194.733 179.3412 1182.024 179.8233 1164.867 180.3055 1147.204 180.7876 1128.985 181.2697 1108.637 181.7518 1083.015 182.2339 1053.642 182.7160 1024.410 183.1982 998.5009 183.6803 974.2309 184.1624 946.8990 184.6445 916.3533 185.1266 885.3348 185.6087 857.1959 186.0909 830.9174 186.5730 804.1625 187.0551 775.2363 187.5372 744.8691 188.0193 714.4359 188.5014 684.1650 188.9836 654.8385 189.4657 626.3809 189.9478 599.1434 190.4299 573.0927 190.9120 548.3351 191.3941 524.4406 191.8763 500.2687 192.3584 476.5343 192.8405 453.9489 193.3226 432.6401 193.8047 412.8976 194.2868 393.3809 194.7690 373.0585 195.2511 352.1396 195.7332 332.0663 196.2153 312.8549 196.6974 294.5652 197.1795 278.1034 197.6617 263.4567 198.1438 249.7427 198.6259 236.8140 199.1080 224.7273 199.5901 212.2691 200.0722 199.1531 200.5544 186.1608 201.0365 175.0759 201.5186 166.0247 202.0007 157.5576 202.4828 149.0771 202.9649 140.5692 203.4471 131.4818 203.9292 122.3207 204.4113 113.2478 204.8934 104.2631 205.3755 95.28381 205.8576 87.24249 206.3398 80.78644 206.8219 76.16156 207.3040 71.30872 207.7861 66.11151 208.2682 60.82123 208.7503 56.04327 209.2325 51.96155 209.7146 47.99524 210.1967 43.88220 210.6788 39.57275 211.1609 35.37213 211.6430 31.25354 212.1252 27.25476 212.6073 23.49432 213.0894 19.94409 213.5715 16.75397 214.0536 13.98071 214.5357 11.58801 215.0179 9.770569 215.5000 8.741638 215.9821 8.118164 216.4642 6.998474 216.9463 5.181824 217.4284 3.321533 217.9105 1.638000 218.3927 0.1461180 218.8748 1.116638 219.3569 2.034790 219.8390 2.791260 220.3211 3.899475 220.8032 5.669312 221.2854 7.232849 221.7675 8.224243 222.2496 8.381653 222.7317 8.740723 223.2138 9.415100 223.6959 10.23804 224.1781 10.92950 224.6602 11.57642 225.1423 11.92419 225.6244 11.80322 226.1065 11.08728 226.5886 10.33936 227.0708 9.587585 227.5529 8.796082 228.0350 7.812378 228.5171 6.271545 228.9992 5.149170 229.4813 4.830872 229.9635 5.458984 230.4456 6.538696 230.9277 8.730286 231.4098 11.00952 231.8919 11.32068 232.3740 8.653076 232.8562 5.603271 233.3383 2.868713 233.8204 8.9050002E-02 234.3025 1.121582 234.7846 5.7128999E-02 235.2667 2.182495 235.7489 3.651855 236.2310 4.427185 236.7131 4.282898 237.1952 2.779602 237.6773 0.9074710 238.1594 2.805725 238.6416 1.911438 239.1237 0.1492310 239.6058 0.7183230 240.0879 0.9080810 240.5700 2.866577 241.0521 4.600525 241.5343 6.024414 242.0164 7.576233 242.4985 9.414551 242.9806 11.25629 243.4627 12.62793 243.9448 13.10986 244.4270 13.83862 244.9091 15.21661 245.3912 17.41888 245.8733 19.17163 246.3554 20.17328 246.8375 20.97302 247.3197 22.35168 247.8018 24.82587 248.2839 26.86591 248.7660 27.88947 249.2481 27.69196 249.7302 28.52173 250.2124 30.90607 250.6945 33.67639 251.1766 35.45966 251.6587 35.62628 252.1408 36.13043 252.6229 37.57318 253.1051 40.06134 253.5872 41.86523 254.0693 42.27203 254.5514 42.80048 255.0335 45.40265 255.5156 51.80011 255.9978 56.39862 256.4799 57.46039 256.9620 55.01569 257.4441 54.37360 257.9262 56.29883 258.4083 58.96283 258.8904 60.60693 259.3726 60.53217 259.8547 61.26050 260.3368 63.46130 260.8189 66.96240 261.3010 69.71399 261.7831 71.50659 262.2653 72.89905 262.7474 74.15417 263.2295 74.93225 263.7116 76.66168 264.1937 80.01312 264.6758 84.52972 265.1580 87.54401 265.6401 88.43787 266.1222 88.99152 266.6043 90.55737 267.0864 93.59607 267.5685 96.02368 268.0507 97.45056 268.5328 98.18835 269.0149 99.45721 269.4970 101.4475 269.9791 103.4622 270.4612 105.0120 270.9434 105.9097 271.4255 107.2651 271.9076 109.3619 272.3897 111.8151 272.8718 113.6823 273.3539 114.9125 273.8361 115.6907 274.3182 116.0283 274.8003 115.8716 275.2824 114.6821 275.7645 115.2613 276.2466 115.2416 276.7288 114.6553 277.2109 111.8055 277.6930 111.8787 278.1751 110.7805 278.6572 109.6343 279.1393 110.1188 279.6215 105.7108 280.1036 103.3513 280.5857 100.6989 281.0678 97.77087 281.5499 94.43115 282.0320 90.55627 282.5142 86.19165 282.9963 82.15167 283.4784 78.52661 283.9605 75.10028 284.4426 71.38898 284.9247 67.37372 285.4069 64.00433 285.8890 61.87469 286.3711 60.72113 286.8532 58.89374 287.3353 56.25165 287.8174 53.34570 288.2996 50.88812 288.7817 48.75128 289.2638 46.28064 289.7459 43.31470 290.2280 40.23541 290.7101 37.63464 291.1923 35.50879 291.6744 33.44214 292.1565 30.62531 292.6386 27.19183 293.1207 24.38019 293.6028 22.61462 294.0850 21.55042 294.5671 20.68054 295.0492 20.04272 295.5313 19.24841 296.0134 17.56366 296.4955 15.17749 296.9777 12.90326 297.4598 10.92163 297.9419 9.401001 298.4240 8.633545 298.9061 8.500000 299.3882 8.446777 299.8704 8.333923 300.3525 8.051208 300.8346 7.221741 301.3167 5.706848 301.7988 4.175903 302.2809 3.428894 302.7631 3.277832 303.2452 3.098877 303.7273 2.373108 304.2094 1.528503 304.6915 1.312317 305.1736 1.811096 305.6558 2.238098 306.1379 1.552979 306.6200 0.3167720 307.1021 0.4081420 307.5842 0.2277220 308.0663 1.294739 308.5485 1.908508 309.0306 2.064270 309.5127 2.145569 309.9948 2.370422 310.4769 2.680054 310.9590 3.014343 311.4412 3.527527 311.9233 3.874817 312.4054 3.755615 312.8875 3.224548 313.3696 2.600403 313.8517 1.831909 314.3339 1.189514 314.8160 0.9593510 315.2981 1.597778 315.7802 2.089111 316.2623 1.706726 316.7444 0.7780760 317.2266 0.1457520 317.7087 0.4500730 318.1908 0.9971920 318.6729 1.354736 319.1550 1.407593 319.6371 1.409546 320.1193 1.270935 320.6014 1.150696 321.0835 1.302246 321.5656 2.127808 322.0477 2.958679 322.5298 3.618591 323.0120 4.149292 323.4941 4.127930 323.9762 2.998657 324.4583 1.439331 324.9404 0.1853640 325.4225 0.6043700 325.9047 1.130676 326.3868 1.336914 326.8689 1.216492 327.3510 1.073059 327.8331 0.9432370 328.3152 0.7740480 328.7974 0.5277100 329.2795 0.3740230 329.7616 8.9844003E-02 330.2437 1.207153 330.7258 2.773254 331.2079 3.657227 331.6901 3.428467 332.1722 2.928772 332.6543 2.514526 333.1364 1.912048 333.6185 1.931396 334.1006 2.942261 334.5828 4.460754 335.0649 5.306152 335.5470 5.094910 336.0291 4.878662 336.5112 5.150024 336.9933 6.111084 337.4755 6.430176 337.9576 5.749878 338.4397 4.856384 338.9218 4.845093 339.4039 5.910034 339.8860 7.223694 340.3681 8.743652 340.8503 10.41504 341.3324 11.29645 341.8145 11.28302 342.2966 10.79260 342.7787 9.960144 343.2608 8.755859 343.7430 8.140503 344.2251 8.449463 344.7072 9.374817 345.1893 9.957886 345.6714 10.15405 346.1535 10.55646 346.6357 11.65637 347.1178 13.36407 347.5999 15.31226 348.0820 17.69977 348.5641 19.75214 349.0462 19.92816 349.5284 18.44696 350.0105 16.97888 350.4926 16.43701 350.9747 16.53088 351.4568 16.58777 351.9389 16.55627 352.4211 16.72168 352.9032 17.70428 353.3853 19.13800 353.8674 20.13245 354.3495 20.07703 354.8316 19.57489 355.3138 19.24463 355.7959 19.08618 356.2780 19.07037 356.7601 19.37311 357.2422 19.74188 357.7243 19.83221 358.2065 19.44733 358.6886 18.93701 359.1707 18.41998 359.6528 17.93469 360.1349 17.63300 360.6170 17.97925 361.0992 18.29016 361.5813 17.92566 362.0634 16.50616 362.5455 15.37708 363.0276 15.32416 363.5097 15.86017 363.9919 16.23810 364.4740 16.13538 364.9561 15.88031 365.4382 15.70160 365.9203 15.62256 366.4024 15.36426 366.8846 14.62952 367.3667 13.79962 367.8488 13.18915 368.3309 13.34204 368.8130 13.15497 369.2951 12.17841 369.7773 10.59473 370.2594 9.638733 370.7415 9.787964 371.2236 10.09912 371.7057 10.17041 372.1878 10.06042 372.6700 9.587280 373.1521 8.513306 373.6342 7.220215 374.1163 6.491699 374.5984 6.650085 375.0805 6.714172 375.5627 6.423157 376.0448 5.758301 376.5269 4.765442 377.0090 3.121338 377.4911 1.634766 377.9732 1.369385 378.4554 2.572876 378.9375 3.403198 379.4196 3.376709 379.9017 2.752502 380.3838 2.432373 380.8659 2.436584 381.3481 2.601196 381.8302 2.838989 382.3123 3.148682 382.7944 3.548523 383.2765 4.102234 383.7586 4.608643 384.2408 4.526123 384.7229 3.983093 385.2050 3.697723 385.6871 4.424561 386.1692 5.606232 386.6513 5.945190 387.1335 5.300140 387.6156 4.651855 388.0977 4.725067 388.5798 5.492493 389.0619 6.837891 389.5440 9.234497 390.0262 11.41635 390.5083 11.85596 390.9904 10.98660 391.4725 10.36407 391.9546 10.98471 392.4367 11.93857 392.9189 12.52173 393.4010 12.58124 393.8831 12.45010 394.3652 12.01215 394.8473 11.51962 395.3294 11.34467 395.8116 12.19806 396.2937 12.96378 396.7758 12.98309 397.2579 12.11392 397.7400 11.81406 398.2221 12.87811 398.7043 14.37872 399.1864 15.57077 399.6685 16.13272 400.1506 16.66837 400.6327 17.21378 401.1148 17.73175 401.5970 18.13834 402.0791 18.37393 402.5612 18.54111 403.0433 18.62473 403.5254 18.66586 404.0075 18.81110 404.4897 19.15646 404.9718 19.55566 405.4539 19.78638 405.9360 19.83371 406.4181 19.77444 406.9002 19.56525 407.3824 19.24661 407.8645 19.04395 408.3466 18.91074 408.8287 17.96650 409.3108 19.29004 409.7929 20.01483 410.2751 20.17301 410.7572 18.06761 411.2393 18.88517 411.7214 18.53133 412.2035 18.30042 412.6856 18.09598 413.1678 18.14850 413.6499 18.35300 414.1320 18.60034 414.6141 18.92151 415.0962 18.91144 415.5783 17.67365 416.0605 15.89554 416.5426 14.85147 417.0247 15.46490 417.5068 16.58466 417.9889 17.51517 418.4710 18.18942 418.9532 18.28394 419.4353 17.07361 419.9174 15.52380 420.3995 14.45621 420.8816 14.17673 421.3637 12.76617 421.8459 13.77637 422.3280 14.18786 422.8101 14.03277 423.2922 11.61407 423.7743 12.11836 424.2564 11.45123 424.7386 10.73602 425.2207 11.65168 425.7028 9.562232 426.1849 10.45203 426.6670 10.15258 427.1491 10.39740 427.6313 9.463558 428.1134 8.893798 428.5955 9.368042 429.0776 9.577240 429.5597 9.556366 430.0418 9.192383 430.5240 8.321716 431.0061 6.890442 431.4882 5.794037 431.9703 5.122986 432.4524 4.613922 432.9345 3.857666 433.4167 2.834503 433.8988 2.251862 434.3809 2.425537 434.8630 3.018280 435.3451 3.236877 435.8272 3.093475 436.3094 2.838623 436.7915 2.458282 437.2736 2.095032 437.7557 2.288483 438.2378 3.205414 438.7199 3.947723 439.2020 3.415070 439.6841 2.045807 440.1663 0.7369080 440.6484 0.4845580 441.1305 1.241333 441.6126 0.7876890 442.0947 0.6365970 442.5768 1.575256 443.0590 0.5600890 443.5411 0.8267210 444.0232 1.219299 444.5053 0.3020020 444.9874 1.327026 445.4695 0.3423770 445.9517 1.495605 446.4338 2.333099 446.9159 0.1688840 447.3980 1.395386 447.8801 0.8170780 448.3622 2.130646 448.8444 3.579926 449.3265 2.345093 449.8086 0.6453860 450.2907 4.7455002E-02 450.7728 0.8251650 451.2549 1.480652 451.7371 1.980560 452.2192 2.104767 452.7013 1.038788 453.1834 1.724396 453.6655 3.776794 454.1476 3.934967 454.6298 2.383514 455.1119 1.120300 455.5940 0.1825870 456.0761 0.6147460 456.5582 1.519348 457.0403 2.467682 457.5225 3.059998 458.0046 3.157135 458.4867 2.952637 458.9688 2.817505 459.4509 2.659271 459.9330 2.082642 460.4152 0.3754270 460.8973 1.632904 461.3794 2.949371 461.8615 3.530823 462.3436 3.729065 462.8257 3.346252 463.3079 2.881805 463.7900 2.910095 464.2721 4.024628 464.7542 5.140167 465.2363 5.979218 465.7184 6.506226 466.2006 6.616119 466.6827 5.209900 467.1648 4.323608 467.6469 5.101074 468.1290 8.313507 468.6111 10.36432 469.0933 10.41180 469.5754 9.805145 470.0575 9.738129 470.5396 10.52127 471.0217 11.22363 471.5038 11.73883 471.9860 12.10397 472.4681 12.43768 472.9502 12.72852 473.4323 13.02234 473.9144 13.19797 474.3965 13.27512 474.8787 14.11670 475.3608 15.84750 475.8429 17.71616 476.3250 18.86270 476.8071 19.38715 477.2892 19.74637 477.7714 19.88824 478.2535 20.16333 478.7356 21.30847 479.2177 23.12677 479.6998 24.74408 480.1819 25.70596 480.6641 26.20026 481.1462 26.21732 481.6283 25.71332 482.1104 25.49954 482.5925 26.25424 483.0746 27.46078 483.5568 28.58823 484.0389 28.96017 484.5210 30.52725 485.0031 31.64951 485.4852 32.35284 485.9673 31.40961 486.4495 32.58875 486.9316 32.91602 487.4137 33.20621 487.8958 34.67679 488.3779 33.95966 488.8600 35.39749 489.3422 35.96533 489.8243 36.92334 490.3064 37.02124 490.7885 37.39606 491.2706 37.94107 491.7527 37.82440 492.2349 37.48215 492.7170 36.85992 493.1991 36.73099 493.6812 37.59860 494.1633 37.20563 494.6454 38.59323 495.1276 39.54077 495.6097 40.07635 496.0918 38.97287 496.5739 39.99280 497.0560 40.15781 497.5381 40.27563 498.0203 41.56448 498.5024 40.64841 498.9845 41.86203 499.4666 42.22916 499.9487 43.02072 500.4308 42.96213 500.9130 43.15720 501.3951 43.99026 501.8772 43.58881 502.3593 43.08075 502.8414 42.85098 503.3235 43.19492 503.8057 45.12167 504.2878 46.05371 504.7699 45.46210 505.2520 44.13873 505.7341 43.51550 506.2162 43.65021 506.6984 44.09244 507.1805 45.11383 507.6626 46.60458 508.1447 47.22867 508.6268 46.75653 509.1089 45.98593 509.5911 45.29309 510.0732 44.73792 510.5553 45.01477 511.0374 46.36279 511.5195 47.73660 512.0016 47.51617 512.4838 46.16006 512.9659 45.27240 513.4480 45.78940 513.9301 46.66626 514.4122 46.48462 514.8943 45.51462 515.3765 44.97717 515.8586 45.28574 516.3407 46.07483 516.8228 46.44836 517.3049 46.43588 517.7870 44.82840 518.2692 45.44330 518.7513 45.23831 519.2334 45.00970 519.7155 45.97018 520.1976 44.75729 520.6797 45.72452 521.1619 45.85327 521.6440 46.41138 522.1261 46.09747 522.6082 46.16064 523.0903 46.85281 523.5724 48.18179 524.0546 49.06778 524.5367 49.43878 525.0188 49.50708 525.5009 49.36844 525.9830 48.21927 526.4651 49.59000 526.9473 50.49777 527.4294 50.97165 527.9115 49.83850 528.3936 50.88632 528.8757 51.11588 529.3578 51.29788 529.8400 52.65082 530.3221 51.81949 530.8042 53.16254 531.2863 53.66934 531.7684 54.70404 532.2505 54.92215 532.7327 55.26062 533.2148 56.19693 533.6969 56.54727 534.1790 56.25476 534.6611 57.04285 535.1432 56.09399 535.6254 56.61526 536.1075 57.77213 536.5896 57.56149 537.0717 58.31335 537.5538 58.64777 538.0359 57.24396 538.5181 58.65558 539.0002 58.82648 539.4823 57.73575 539.9644 59.06247 540.4465 58.14142 540.9286 57.99097 541.4108 58.40262 541.8929 58.11646 542.3750 58.77081 542.8571 58.47031 543.3392 58.08179 543.8214 58.06165 544.3035 56.98682 544.7856 57.86057 545.2677 57.39847 545.7498 56.62662 546.2319 56.32443 546.7141 56.55780 547.1962 56.52353 547.6783 55.69598 548.1604 54.66013 548.6425 53.67178 549.1246 52.67093 549.6068 52.01172 550.0889 52.02362 550.5710 52.20493 551.0531 52.10242 551.5352 51.62421 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