#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:07 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1225 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000637.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_1000637 loop_ _publ_author_name 'Andreozzi G B' 'Lucchesi S' 'Graziani G' 'Russo U' _publ_section_title ; Site distribution of Fe2+ and Fe3+ in axinite mineral group: New crystal-chemical formula Sample 47 ; _journal_name_full 'American Mineralogist' _journal_page_first 1763 _journal_page_last 1771 _journal_volume 89 _journal_year 2004 _chemical_compound_source R060183 _chemical_formula_sum 'Al1.86 B Ca1.95 Fe0.18 H0.9 Mg0.015 Mn0.995 O16 Si4' _chemical_name_mineral Manganaxinite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.761 _cell_angle_beta 98.153 _cell_angle_gamma 77.150 _cell_length_a 7.1849 _cell_length_b 9.2152 _cell_length_c 8.9765 _cell_volume 573.595 _cod_original_formula_sum 'Si4 B Ca1.95 Mn.995 Fe.18 Mg.015 Al1.86 O16 H.9' _cod_database_code 9003566 _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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 R060183.rod _rod_data_source.block 3500000 _rod_database.code 1000637 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 9003566 COD http://www.crystallography.net/cod/9003566.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 142.6476 0.0000000E+00 143.1297 0.4514010 143.6118 8.2641996E-02 144.0939 7.9079002E-02 144.5761 0.7546840 145.0582 2.325668 145.5403 4.528481 146.0224 7.343567 146.5045 10.78953 146.9866 14.71838 147.4688 19.05651 147.9509 23.88168 148.4330 29.68816 148.9151 36.72149 149.3972 43.16656 149.8793 47.74554 150.3615 51.11668 150.8436 53.96049 151.3257 56.80031 151.8078 59.10583 152.2899 59.62248 152.7720 58.05070 153.2542 55.11123 153.7363 50.57870 154.2184 45.17774 154.7005 39.96204 155.1826 35.60056 155.6647 32.05329 156.1469 28.99529 156.6290 27.22164 157.1111 25.21162 157.5932 22.36441 158.0753 18.94532 158.5574 15.55963 159.0396 12.67970 159.5217 10.31527 160.0038 8.455307 160.4859 7.090630 160.9680 6.144341 161.4501 5.675476 161.9323 5.640648 162.4144 5.949760 162.8965 6.861305 163.3786 8.687073 163.8607 11.73402 164.3428 15.76797 164.8250 19.98858 165.3071 23.88824 165.7892 27.36663 166.2713 30.71914 166.7534 33.93520 167.2355 37.14260 167.7177 41.31714 168.1998 47.00797 168.6819 53.59267 169.1640 60.51488 169.6461 67.84250 170.1282 74.79754 170.6104 80.49152 171.0925 85.08942 171.5746 88.46265 172.0567 90.73811 172.5388 91.75968 173.0209 90.93515 173.5031 87.65372 173.9852 83.01475 174.4673 78.01112 174.9494 72.67097 175.4315 67.11381 175.9136 61.32323 176.3958 55.30255 176.8779 49.49640 177.3600 43.81808 177.8421 38.53828 178.3242 33.99138 178.8063 30.10592 179.2885 26.41089 179.7706 22.29517 180.2527 17.54002 180.7348 13.30478 181.2169 9.708168 181.6990 6.594215 182.1812 3.983429 182.6633 1.841286 183.1454 8.1123002E-02 183.6275 1.411415 184.1096 2.601082 184.5917 3.552467 185.0738 4.411865 185.5560 5.001785 186.0381 5.162125 186.5202 4.843391 187.0023 4.013336 187.4844 2.991104 187.9665 1.449905 188.4487 0.3162690 188.9308 1.326706 189.4129 2.465843 189.8950 4.703484 190.3771 8.425858 190.8592 13.05103 191.3414 17.24113 191.8235 20.74315 192.3056 24.25536 192.7877 28.29948 193.2698 32.24731 193.7519 35.36236 194.2341 37.42333 194.7162 38.42410 195.1983 37.97990 195.6804 35.82775 196.1625 33.69704 196.6446 32.00475 197.1268 30.70610 197.6089 29.61449 198.0910 28.51856 198.5731 27.89254 199.0552 28.38207 199.5373 29.98134 200.0195 32.30117 200.5016 35.24888 200.9837 38.75446 201.4658 42.98206 201.9479 48.26006 202.4300 54.11107 202.9122 59.81958 203.3943 65.36100 203.8764 71.09483 204.3585 77.49358 204.8406 84.56383 205.3227 91.31549 205.8048 97.59772 206.2870 103.3292 206.7691 108.4636 207.2512 112.9823 207.7333 116.8537 208.2154 119.9357 208.6975 122.1525 209.1797 124.0178 209.6618 125.5563 210.1439 126.7907 210.6260 127.5867 211.1081 127.9610 211.5902 128.2040 212.0724 128.7784 212.5545 129.9543 213.0366 130.6076 213.5187 130.3496 214.0008 129.8194 214.4829 129.3695 214.9651 129.0813 215.4472 128.8306 215.9293 128.4019 216.4114 127.5608 216.8935 127.0482 217.3756 127.7781 217.8578 128.1732 218.3399 127.1894 218.8220 124.5917 219.3041 120.7967 219.7862 116.5131 220.2683 112.3388 220.7505 106.2157 221.2326 97.06475 221.7147 86.84440 222.1968 76.70255 222.6789 67.02674 223.1610 58.00095 223.6432 49.91401 224.1253 43.13233 224.6074 36.76244 225.0895 30.63435 225.5716 24.98798 226.0537 20.10228 226.5358 16.02041 227.0180 12.56022 227.5001 9.490532 227.9822 6.832596 228.4643 4.644852 228.9464 3.139999 229.4285 2.017288 229.9107 0.9871220 230.3928 1.5830999E-02 230.8749 0.8862990 231.3570 1.372566 231.8391 1.410385 232.3212 1.752060 232.8034 2.987007 233.2855 4.406479 233.7676 5.056961 234.2497 4.711716 234.7318 3.936020 235.2139 3.285378 235.6961 2.741714 236.1782 2.141541 236.6603 1.524422 237.1424 0.8026200 237.6245 0.2515950 238.1066 1.778000 238.5888 3.278679 239.0709 4.188644 239.5530 4.670578 240.0351 5.201782 240.5172 6.111732 240.9993 7.082886 241.4815 7.463547 241.9636 7.039925 242.4457 6.577271 242.9278 6.832184 243.4099 7.485817 243.8920 7.858780 244.3742 7.542053 244.8563 6.819214 245.3384 6.227859 245.8205 5.703247 246.3026 5.557343 246.7847 5.850777 247.2668 6.552757 247.7490 7.681595 248.2311 9.270180 248.7132 11.20714 249.1953 13.27405 249.6774 15.34100 250.1595 17.83605 250.6417 20.95786 251.1238 24.53144 251.6059 28.40772 252.0880 32.63065 252.5701 36.97775 253.0522 40.95509 253.5344 44.49554 254.0165 47.71568 254.4986 50.79343 254.9807 53.58154 255.4628 56.03696 255.9449 58.19104 256.4271 59.76884 256.9092 60.00629 257.3913 58.17801 257.8734 56.31552 258.3555 54.90363 258.8376 53.63419 259.3198 52.14471 259.8019 50.29463 260.2840 48.35695 260.7661 46.77136 261.2482 44.97184 261.7303 44.78121 262.2125 46.99452 262.6946 50.23273 263.1767 53.54280 263.6588 56.58984 264.1409 59.30639 264.6230 61.56917 265.1052 63.17195 265.5873 64.68405 266.0694 66.04999 266.5515 67.40227 267.0336 68.93194 267.5157 70.63553 267.9979 72.24107 268.4800 73.31468 268.9621 73.58517 269.4442 73.87120 269.9263 74.67318 270.4084 75.13432 270.8906 74.41375 271.3727 72.56066 271.8548 70.53267 272.3369 69.59171 272.8190 70.38395 273.3011 70.09264 273.7833 68.01763 274.2654 65.67397 274.7475 63.98425 275.2296 62.92290 275.7117 61.87131 276.1938 60.23047 276.6760 57.94521 277.1581 55.32950 277.6402 51.89968 278.1223 48.65325 278.6044 46.12490 279.0865 44.20829 279.5686 42.44135 280.0508 40.43662 280.5329 38.18686 281.0150 36.23498 281.4971 34.32050 281.9792 32.88281 282.4613 32.29272 282.9435 32.32433 283.4256 32.43824 283.9077 32.26917 284.3898 31.88430 284.8719 31.91332 285.3540 32.88656 285.8362 33.61250 286.3183 33.59155 286.8004 33.12489 287.2825 32.80824 287.7646 32.97136 288.2467 33.40065 288.7289 33.31499 289.2110 32.28654 289.6931 31.38703 290.1752 30.76131 290.6573 30.28410 291.1394 29.96608 291.6216 29.89011 292.1037 29.82294 292.5858 29.11171 293.0679 27.17422 293.5500 25.69733 294.0321 25.14124 294.5143 25.00510 294.9964 24.73544 295.4785 24.16051 295.9606 23.47150 296.4427 22.97942 296.9248 22.78110 297.4070 22.49160 297.8891 22.06257 298.3712 21.55842 298.8533 20.94819 299.3354 20.25446 299.8175 19.69593 300.2997 19.50204 300.7818 19.73751 301.2639 20.08327 301.7460 20.31835 302.2281 20.82610 302.7102 22.01511 303.1924 23.85098 303.6745 25.88419 304.1566 27.78136 304.6387 29.55972 305.1208 31.56004 305.6029 33.77631 306.0851 36.05578 306.5672 38.33594 307.0493 40.61853 307.5314 42.99998 308.0135 45.63010 308.4956 48.32935 308.9778 50.24281 309.4599 50.59589 309.9420 51.29203 310.4241 52.92660 310.9062 55.27025 311.3883 57.91621 311.8705 60.69367 312.3526 63.73904 312.8347 67.29344 313.3168 71.18446 313.7989 75.87478 314.2810 81.59562 314.7632 88.10945 315.2453 95.18389 315.7274 102.7413 316.2095 110.8018 316.6916 119.6906 317.1737 129.8783 317.6559 138.7925 318.1380 146.2617 318.6201 152.3518 319.1022 157.2253 319.5843 160.8948 320.0664 162.9977 320.5485 163.2070 321.0306 161.2927 321.5128 157.7314 321.9949 152.0386 322.4770 145.1632 322.9591 137.1507 323.4412 128.3207 323.9233 119.5934 324.4055 111.4941 324.8876 104.0792 325.3697 97.95604 325.8518 93.60986 326.3339 89.77087 326.8160 85.72873 327.2982 81.83890 327.7803 78.93197 328.2624 77.47671 328.7445 77.02967 329.2266 76.39972 329.7087 75.10742 330.1909 74.49273 330.6730 75.03750 331.1551 76.31921 331.6372 77.85465 332.1193 79.50624 332.6014 81.26085 333.0836 83.08201 333.5657 84.87540 334.0478 87.10240 334.5299 89.64791 335.0120 92.70068 335.4941 96.57025 335.9763 101.2128 336.4584 106.1862 336.9405 110.9953 337.4226 115.6131 337.9047 120.9853 338.3868 127.3950 338.8690 134.2416 339.3511 141.6652 339.8332 149.3603 340.3153 156.4585 340.7974 162.3915 341.2795 167.2946 341.7617 171.8958 342.2438 177.3300 342.7259 181.2000 343.2080 183.4278 343.6901 183.6525 344.1722 181.2030 344.6544 175.8024 345.1365 167.9671 345.6186 158.7215 346.1007 146.9111 346.5828 135.2944 347.0649 123.6833 347.5471 112.4696 348.0292 101.8415 348.5113 91.96227 348.9934 83.01357 349.4755 75.42267 349.9576 69.46249 350.4398 63.75637 350.9219 58.06567 351.4040 52.78841 351.8861 48.39643 352.3682 44.69674 352.8503 41.06096 353.3325 37.03031 353.8146 32.64426 354.2967 28.38695 354.7788 24.06107 355.2609 20.09762 355.7430 16.59265 356.2252 13.51376 356.7073 10.81577 357.1894 8.487778 357.6715 6.478642 358.1536 4.623787 358.6357 2.793667 359.1179 1.365791 359.5999 0.6482700 360.0821 0.1139140 360.5642 0.6286660 361.0463 1.674076 361.5284 2.904011 362.0105 4.267544 362.4926 5.975533 362.9748 6.973557 363.4569 6.883320 363.9390 6.490940 364.4211 5.996609 364.9032 5.472649 365.3853 4.982872 365.8675 4.572578 366.3496 4.238716 366.8317 3.968269 367.3138 4.000023 367.7959 3.772961 368.2780 3.025742 368.7602 2.015919 369.2423 1.110172 369.7244 0.4812010 370.2065 0.1311110 370.6886 1.348927 371.1707 3.583271 371.6529 5.370281 372.1350 6.371788 372.6171 6.994041 373.0992 7.377861 373.5813 7.593605 374.0634 7.834232 374.5456 8.355301 375.0277 9.176971 375.5098 9.813679 375.9919 10.10815 376.4740 10.36674 376.9561 10.70875 377.4383 11.12671 377.9204 11.58393 378.4025 12.05007 378.8846 12.54879 379.3667 13.08226 379.8488 13.50386 380.3310 14.35472 380.8131 16.06477 381.2952 18.20942 381.7773 20.34692 382.2594 22.31900 382.7415 24.49138 383.2237 27.28493 383.7058 30.70124 384.1879 34.36671 384.6700 38.47707 385.1521 42.51101 385.6342 46.02753 386.1164 49.02827 386.5985 51.88360 387.0806 54.96479 387.5627 58.00289 388.0448 60.36147 388.5269 61.93734 389.0091 62.98767 389.4912 63.79480 389.9733 64.20959 390.4554 63.75527 390.9375 62.00232 391.4196 59.64984 391.9018 57.31073 392.3839 54.94790 392.8660 52.25642 393.3481 48.92582 393.8302 45.35369 394.3123 42.29696 394.7945 39.80721 395.2766 37.57071 395.7587 35.52650 396.2408 33.64561 396.7229 31.83211 397.2050 30.02224 397.6872 28.53748 398.1693 27.84001 398.6514 28.02070 399.1335 27.94194 399.6156 27.41872 400.0977 26.70725 400.5798 25.79716 401.0620 24.81728 401.5441 24.23567 402.0262 24.41146 402.5083 25.13542 402.9904 25.44901 403.4725 25.08752 403.9547 24.74917 404.4368 24.52499 404.9189 24.40869 405.4010 24.33619 405.8831 24.29893 406.3652 24.46450 406.8474 25.10728 407.3295 26.41702 407.8116 27.67349 408.2937 28.72038 408.7758 29.85109 409.2579 31.07668 409.7401 32.51574 410.2222 34.43790 410.7043 37.09377 411.1864 40.40919 411.6685 43.80083 412.1506 47.15015 412.6328 50.73660 413.1149 54.59187 413.5970 58.70285 414.0791 63.01111 414.5612 67.50642 415.0433 72.33043 415.5255 77.80077 416.0076 84.19993 416.4897 90.35896 416.9718 95.89651 417.4539 101.4190 417.9360 107.3319 418.4182 113.4968 418.9003 119.3054 419.3824 124.3152 419.8645 128.6355 420.3466 132.8771 420.8287 137.1088 421.3109 141.2707 421.7930 145.4216 422.2751 149.4430 422.7572 153.2814 423.2393 157.0165 423.7214 160.0863 424.2036 161.8226 424.6857 162.2401 425.1678 161.9512 425.6499 161.1075 426.1320 159.5854 426.6141 157.4642 427.0963 154.7258 427.5784 151.0621 428.0605 145.9766 428.5426 140.0332 429.0247 134.1143 429.5068 128.2493 429.9890 122.0526 430.4711 115.2237 430.9532 107.8816 431.4353 100.5980 431.9174 93.49593 432.3995 86.25649 432.8817 78.25398 433.3638 70.07597 433.8459 62.92305 434.3280 57.21856 434.8101 52.52888 435.2922 48.33099 435.7744 44.68329 436.2565 41.45823 436.7386 38.55834 437.2207 36.15272 437.7028 34.46582 438.1849 33.42324 438.6671 32.70668 439.1492 32.08376 439.6313 31.62769 440.1134 31.79758 440.5955 32.86392 441.0776 34.24488 441.5598 36.03832 442.0418 38.03618 442.5240 40.08932 443.0061 42.12497 443.4882 44.09063 443.9703 46.06768 444.4524 48.39156 444.9345 49.15918 445.4167 47.32675 445.8988 44.93987 446.3809 42.77445 446.8630 40.58637 447.3451 37.69327 447.8272 33.64547 448.3094 28.87727 448.7915 24.42202 449.2736 20.26152 449.7557 16.48017 450.2378 12.99117 450.7199 9.945755 451.2021 7.574188 451.6842 5.870907 452.1663 4.438808 452.6484 2.904362 453.1305 1.363060 453.6126 0.3356780 454.0948 4.4590002E-03 454.5769 0.1577530 455.0590 0.4258730 455.5411 0.7443350 456.0232 1.007336 456.5053 1.236740 456.9875 1.339382 457.4696 1.093281 457.9517 0.6056330 458.4338 0.4345280 458.9159 0.8939210 459.3980 1.499916 459.8802 1.440536 460.3623 0.6650920 460.8444 3.0642999E-02 461.3265 0.4304810 461.8086 0.7225990 462.2907 0.9982530 462.7729 1.305744 463.2550 1.783260 463.7371 2.527996 464.2192 3.622856 464.7013 5.122112 465.1834 7.452690 465.6656 9.438671 466.1477 10.57838 466.6298 11.53518 467.1119 13.10450 467.5940 15.42607 468.0761 17.91012 468.5583 19.82863 469.0404 21.08363 469.5225 22.48795 470.0046 24.34584 470.4867 26.06652 470.9688 27.51936 471.4510 28.66102 471.9331 29.38972 472.4152 29.63316 472.8973 29.70588 473.3794 30.20972 473.8615 31.22088 474.3437 32.19769 474.8258 32.81176 475.3079 33.52572 475.7900 34.57492 476.2721 36.01733 476.7542 37.88833 477.2364 40.21812 477.7185 42.94495 478.2006 45.99301 478.6827 49.37920 479.1648 52.93671 479.6469 56.38902 480.1291 60.08813 480.6112 64.59231 481.0933 70.05454 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