#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:33 +0300 (Thu, 07 Jun 2018) $ #$Revision: 994 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000451.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_1000451 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 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 R060183.rod _rod_data_source.block 3500000 _rod_database.code 1000451 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 142.3323 0.0000000E+00 142.8145 0.9083710 143.2966 0.5540920 143.7787 0.7279360 144.2608 4.296829 144.7429 8.240814 145.2251 11.99034 145.7072 16.27841 146.1893 21.90610 146.6714 29.64561 147.1535 37.27950 147.6356 43.79404 148.1178 48.56543 148.5999 56.11584 149.0820 68.02985 149.5641 81.95889 150.0462 95.06888 150.5283 107.8687 151.0105 119.1347 151.4926 124.9729 151.9747 127.9488 152.4568 130.4624 152.9389 132.2594 153.4210 133.3852 153.9032 134.2681 154.3853 135.7479 154.8674 136.3229 155.3495 135.5255 155.8316 133.1784 156.3138 129.8522 156.7959 126.1462 157.2780 121.5208 157.7601 114.9691 158.2422 104.9083 158.7243 93.84091 159.2065 82.48564 159.6886 69.09845 160.1707 58.63733 160.6528 53.49004 161.1349 52.56070 161.6170 53.82439 162.0992 55.35345 162.5813 58.51651 163.0634 63.14391 163.5455 69.08789 164.0276 75.22726 164.5097 80.01166 164.9919 83.92763 165.4740 88.86163 165.9561 95.72189 166.4382 103.9189 166.9203 113.0422 167.4025 123.6268 167.8846 134.4297 168.3667 145.1948 168.8488 155.8111 169.3309 165.4920 169.8130 176.1239 170.2952 184.9475 170.7773 188.4050 171.2594 183.2776 171.7415 174.0244 172.2236 163.9313 172.7057 152.9783 173.1879 140.8064 173.6700 125.9162 174.1521 109.7458 174.6342 94.68436 175.1163 81.50977 175.5984 69.76276 176.0806 59.38766 176.5627 50.33752 177.0448 41.72246 177.5269 32.23280 178.0090 22.57207 178.4911 14.14481 178.9733 7.764130 179.4554 3.010651 179.9375 0.6385960 180.4196 3.108292 180.9017 5.012772 181.3839 7.189850 181.8660 9.380142 182.3481 10.73878 182.8302 11.07835 183.3123 10.28162 183.7944 7.573715 184.2766 1.713318 184.7587 6.111008 185.2408 14.14775 185.7229 22.00931 186.2050 30.53581 186.6871 41.05768 187.1693 52.69189 187.6514 62.05641 188.1335 69.19801 188.6156 75.49817 189.0977 85.15627 189.5798 98.50601 190.0620 112.7780 190.5441 127.5576 191.0262 142.5392 191.5083 155.6149 191.9904 166.7979 192.4725 176.3208 192.9547 185.2723 193.4368 193.8165 193.9189 199.2618 194.4010 199.3769 194.8831 194.4498 195.3652 188.4075 195.8474 180.8301 196.3295 173.3356 196.8116 169.2284 197.2937 168.6776 197.7758 169.8649 198.2579 171.4785 198.7401 173.4676 199.2222 178.2592 199.7043 186.5621 200.1864 197.2394 200.6685 206.9450 201.1507 215.3486 201.6328 224.2149 202.1149 234.7472 202.5970 247.0999 203.0791 259.5924 203.5612 272.2024 204.0434 284.6471 204.5255 296.3257 205.0076 307.5737 205.4897 316.9398 205.9718 323.3293 206.4539 326.4527 206.9361 328.4666 207.4182 329.7730 207.9003 330.0085 208.3824 327.9704 208.8645 323.4754 209.3466 317.1749 209.8288 309.1577 210.3109 299.0996 210.7930 288.6599 211.2751 277.6597 211.7572 266.4922 212.2393 256.3561 212.7215 247.8325 213.2036 239.2900 213.6857 229.6607 214.1678 218.5914 214.6499 207.4174 215.1321 195.8372 215.6142 184.1574 216.0963 174.2094 216.5784 166.8357 217.0605 159.6620 217.5426 151.1612 218.0248 141.1184 218.5069 130.5827 218.9890 119.2801 219.4711 107.5381 219.9532 96.86880 220.4353 87.74124 220.9175 78.76236 221.3996 68.75739 221.8817 57.06198 222.3638 46.30240 222.8459 36.84872 223.3280 28.49513 223.8102 20.94710 224.2923 14.18811 224.7744 8.045853 225.2565 2.408051 225.7386 2.903580 226.2208 7.268890 226.7029 10.56496 227.1850 12.86369 227.6671 14.29358 228.1492 14.51422 228.6313 14.35342 229.1135 14.23787 229.5956 13.98056 230.0777 14.27133 230.5598 15.74983 231.0419 17.90060 231.5240 18.08084 232.0062 15.29965 232.4883 11.89639 232.9704 9.391876 233.4525 8.734619 233.9346 6.797592 234.4167 2.596176 234.8989 3.151108 235.3810 6.836334 235.8631 6.914764 236.3452 7.020905 236.8273 9.356201 237.3095 15.06311 237.7916 20.47737 238.2737 25.49184 238.7558 30.02748 239.2379 33.61122 239.7200 35.69078 240.2022 37.61487 240.6843 40.17302 241.1664 43.66995 241.6485 47.50989 242.1306 52.00093 242.6127 56.80508 243.0949 60.97725 243.5770 64.30157 244.0591 67.32285 244.5412 70.32932 245.0233 73.62613 245.5054 76.23047 245.9876 77.64194 246.4697 78.40997 246.9518 80.37553 247.4339 84.09814 247.9160 88.20343 248.3981 91.94205 248.8803 94.93307 249.3624 98.56158 249.8445 103.1577 250.3266 108.3235 250.8087 112.8993 251.2909 116.2861 251.7730 119.9713 252.2551 124.7820 252.7372 131.7130 253.2193 137.2567 253.7014 141.0257 254.1836 143.5338 254.6657 145.9884 255.1478 148.8642 255.6299 150.8522 256.1120 151.2423 256.5941 149.3983 257.0763 147.9696 257.5584 147.0122 258.0405 146.4247 258.5226 145.9666 259.0047 145.4601 259.4868 145.4452 259.9690 146.1606 260.4511 147.6975 260.9332 149.5438 261.4153 151.7021 261.8974 154.1899 262.3795 157.0737 262.8617 160.5897 263.3438 163.9840 263.8259 166.9424 264.3080 169.3275 264.7901 172.1944 265.2722 175.7186 265.7544 179.5086 266.2365 183.0180 266.7186 186.3013 267.2007 189.1176 267.6829 191.3906 268.1650 193.1513 268.6471 194.3241 269.1292 195.0575 269.6113 195.0179 270.0934 193.3988 270.5756 189.5502 271.0577 186.6746 271.5398 186.3458 272.0219 188.4168 272.5040 187.4050 272.9861 182.6058 273.4683 176.3101 273.9504 171.0224 274.4325 167.1271 274.9146 162.1733 275.3967 155.3447 275.8788 146.8426 276.3610 138.5467 276.8431 130.3728 277.3252 122.8987 277.8073 116.8163 278.2894 112.2071 278.7715 108.1189 279.2537 104.4694 279.7358 101.1473 280.2179 97.26343 280.7000 92.48750 281.1821 88.60837 281.6642 87.32965 282.1464 88.66306 282.6285 90.12532 283.1106 91.00060 283.5927 91.67732 284.0748 93.93771 284.5569 98.00534 285.0391 102.4934 285.5212 106.2739 286.0033 109.5459 286.4854 113.9095 286.9675 119.7139 287.4496 126.4558 287.9318 132.8762 288.4139 138.9541 288.8960 145.6978 289.3781 154.5211 289.8602 165.1719 290.3424 175.5515 290.8245 185.4766 291.3066 194.8242 291.7887 203.2064 292.2708 210.9155 292.7530 219.0345 293.2351 227.6444 293.7172 236.7823 294.1993 246.7320 294.6814 257.7700 295.1635 268.7227 295.6457 277.8144 296.1278 285.3855 296.6099 292.7768 297.0920 300.5279 297.5741 308.4163 298.0562 315.8493 298.5384 322.7284 299.0205 329.4517 299.5026 336.8354 299.9847 344.3698 300.4668 350.9289 300.9489 355.2510 301.4311 358.6565 301.9132 362.9707 302.3953 368.1929 302.8774 373.2888 303.3595 378.0671 303.8416 382.1715 304.3238 385.2800 304.8059 387.7199 305.2880 388.3240 305.7701 386.1738 306.2522 381.2083 306.7343 373.2099 307.2165 361.2150 307.6986 346.1836 308.1807 329.0810 308.6628 309.0869 309.1449 288.4023 309.6270 268.1666 310.1092 248.1572 310.5913 228.4233 311.0734 206.4009 311.5555 186.0134 312.0376 171.6225 312.5197 165.5309 313.0019 161.1012 313.4840 154.0884 313.9661 145.9332 314.4482 139.6505 314.9304 137.3051 315.4125 136.6058 315.8946 136.3601 316.3767 136.4772 316.8588 136.8065 317.3409 137.9226 317.8231 139.0560 318.3052 139.1920 318.7873 138.4711 319.2694 136.3027 319.7515 131.9957 320.2336 125.3818 320.7158 118.7702 321.1979 113.1026 321.6800 107.6465 322.1621 101.7625 322.6442 94.00250 323.1263 87.15872 323.6085 81.80914 324.0906 77.94823 324.5727 75.25490 325.0548 73.71353 325.5369 73.33820 326.0190 74.14832 326.5012 76.61194 326.9833 79.73112 327.4654 83.81578 327.9475 88.60411 328.4296 92.97202 328.9117 95.76727 329.3939 99.15723 329.8760 104.1355 330.3581 111.9082 330.8402 119.0638 331.3223 125.3542 331.8044 131.1260 332.2866 137.0084 332.7687 142.3394 333.2508 148.6432 333.7329 156.4036 334.2150 165.7098 334.6971 176.3328 335.1793 189.0258 335.6614 202.4324 336.1435 214.3421 336.6256 223.7783 337.1077 234.6891 337.5899 248.4532 338.0720 265.0133 338.5541 279.2953 339.0362 290.7460 339.5183 301.4593 340.0005 313.5051 340.4826 327.3718 340.9647 339.9843 341.4468 350.8924 341.9289 360.1480 342.4110 368.6290 342.8932 376.5983 343.3753 381.6022 343.8574 381.1392 344.3395 375.4677 344.8216 368.7610 345.3037 361.2469 345.7859 353.1938 346.2680 344.8016 346.7501 336.0440 347.2322 327.8268 347.7143 320.3988 348.1964 313.8138 348.6786 308.3924 349.1607 304.2146 349.6428 300.3626 350.1249 296.3418 350.6070 291.8658 351.0891 285.9112 351.5713 278.4489 352.0534 269.1805 352.5355 257.8357 353.0176 244.5084 353.4997 228.1010 353.9818 205.6191 354.4640 180.0966 354.9461 155.7431 355.4282 133.6319 355.9103 113.6261 356.3924 95.84273 356.8745 80.07063 357.3567 65.88626 357.8388 52.75854 358.3209 41.12682 358.8030 31.42940 359.2851 24.25816 359.7672 17.83490 360.2494 11.18765 360.7315 4.597839 361.2136 1.308044 361.6957 6.994339 362.1779 11.45781 362.6600 13.70219 363.1421 13.33244 363.6242 13.40585 364.1063 15.59149 364.5884 18.37552 365.0706 20.18854 365.5527 20.04065 366.0348 19.60207 366.5169 19.47649 366.9990 19.59871 367.4811 18.74294 367.9633 15.89578 368.4454 12.64648 368.9275 9.915970 369.4096 8.358551 369.8917 6.454758 370.3738 4.240280 370.8560 1.649399 371.3381 1.518448 371.8202 5.919922 372.3023 10.04779 372.7844 13.16005 373.2665 14.83357 373.7487 17.16617 374.2308 20.25093 374.7129 23.90233 375.1950 28.02808 375.6771 32.84297 376.1592 37.47816 376.6414 41.68349 377.1235 45.50351 377.6056 49.43422 378.0877 53.40672 378.5698 57.82011 379.0519 63.27086 379.5341 69.72237 380.0162 76.09950 380.4983 82.05869 380.9804 87.99524 381.4625 94.46893 381.9446 101.5543 382.4268 109.1338 382.9089 117.5004 383.3910 126.3510 383.8731 134.9900 384.3553 143.3083 384.8374 151.4467 385.3195 159.6078 385.8016 167.6979 386.2837 175.6013 386.7658 183.7953 387.2480 191.4067 387.7301 197.4065 388.2122 201.7790 388.6943 204.9942 389.1764 207.4262 389.6585 208.8786 390.1407 209.0491 390.6228 207.8597 391.1049 205.3736 391.5870 201.8271 392.0691 197.0609 392.5512 190.5926 393.0334 180.5708 393.5155 169.9124 393.9976 160.6342 394.4797 153.5036 394.9618 146.1191 395.4439 137.1227 395.9261 127.6244 396.4082 119.1353 396.8903 112.1605 397.3724 105.8328 397.8545 99.37419 398.3366 92.66814 398.8188 88.07010 399.3009 87.04424 399.7830 87.43311 400.2651 87.80579 400.7472 87.60071 401.2293 88.14026 401.7115 89.78296 402.1936 92.24577 402.6757 94.57343 403.1578 96.44742 403.6399 98.61906 404.1220 101.4215 404.6042 104.8668 405.0863 108.9950 405.5684 113.7343 406.0505 119.1949 406.5326 125.6382 407.0147 133.1926 407.4969 140.8767 407.9790 148.1239 408.4611 155.4163 408.9432 164.8913 409.4254 176.6171 409.9075 189.4062 410.3896 202.3671 410.8717 215.6626 411.3538 230.1606 411.8359 245.9940 412.3181 262.6670 412.8002 279.7881 413.2823 297.0092 413.7644 314.1966 414.2465 331.3952 414.7286 348.3518 415.2108 365.6422 415.6929 383.1977 416.1750 398.8834 416.6571 411.5227 417.1392 421.0357 417.6213 427.7477 418.1035 431.7337 418.5856 432.8369 419.0677 429.4564 419.5498 422.3571 420.0319 415.4785 420.5140 410.0151 420.9962 405.8746 421.4783 403.0231 421.9604 401.7582 422.4425 400.4431 422.9246 399.0256 423.4067 397.4928 423.8889 395.6681 424.3710 393.7903 424.8531 391.2882 425.3352 388.3680 425.8173 385.1826 426.2994 380.6169 426.7816 374.1817 427.2637 366.7508 427.7458 359.2039 428.2279 352.5263 428.7100 343.0270 429.1921 329.9243 429.6743 314.1709 430.1564 298.8583 430.6385 284.3480 431.1206 268.8584 431.6028 251.1717 432.0849 231.2924 432.5670 212.7820 433.0491 195.5114 433.5312 179.9317 434.0133 166.4218 434.4955 154.8889 434.9776 144.7216 435.4597 135.8311 435.9418 128.1529 436.4239 121.7373 436.9060 116.6306 437.3882 112.7489 437.8703 110.2707 438.3524 108.9171 438.8345 108.1787 439.3166 107.9223 439.7987 108.8127 440.2809 112.0758 440.7630 116.7131 441.2451 121.1349 441.7272 125.5132 442.2093 128.8035 442.6914 130.3493 443.1736 130.2436 443.6557 129.1407 444.1378 128.0304 444.6199 125.4789 445.1020 120.5471 445.5841 112.6228 446.0663 103.3381 446.5484 91.95705 447.0305 79.54387 447.5126 67.78104 447.9947 56.76852 448.4768 46.48657 448.9590 36.78592 449.4411 27.69691 449.9232 19.92480 450.4053 13.49121 450.8874 8.222427 451.3695 4.174728 451.8517 1.508118 452.3338 0.7778780 452.8159 2.781021 453.2980 4.407059 453.7801 5.489822 454.2622 6.016037 454.7444 6.045563 455.2265 5.237320 455.7086 3.903336 456.1907 3.608978 456.6729 4.432602 457.1550 5.259811 457.6371 4.860016 458.1192 3.682846 458.6013 2.878281 459.0834 2.944138 459.5656 3.081482 460.0477 2.428329 460.5298 1.130798 461.0119 0.3447720 461.4940 1.674805 461.9761 3.168594 462.4583 4.993805 462.9404 7.174332 463.4225 9.944870 463.9046 13.97485 464.3867 18.52783 464.8688 22.79097 465.3510 25.78729 465.8331 29.33131 466.3152 33.57414 466.7973 38.45435 467.2794 43.99710 467.7615 51.29382 468.2437 58.40927 468.7258 64.81889 469.2079 70.47231 469.6900 75.20833 470.1721 78.81439 470.6542 81.60359 471.1364 83.76791 471.6185 85.10429 472.1006 86.87959 472.5827 89.44684 473.0648 92.52740 473.5469 95.10631 474.0291 97.11778 474.5112 99.38307 474.9933 102.4037 475.4754 106.0908 475.9575 109.9938 476.4396 114.0718 476.9218 118.5838 477.4039 123.6206 477.8860 129.2686 478.3681 135.7627 478.8503 143.6532 479.3324 151.8267 479.8145 159.0890 480.2966 165.7243 480.7787 172.4539 481.2608 180.5021 481.7430 188.3347 482.2251 195.0311 482.7072 200.5299 483.1893 204.6042 483.6714 208.0571 484.1535 209.6492 484.6357 208.1705 485.1178 202.7890 485.5999 195.0975 486.0820 184.9931 486.5641 172.7580 487.0462 158.7189 487.5284 141.1243 488.0105 124.0322 488.4926 108.6214 488.9747 94.96915 489.4568 83.39887 489.9389 74.27211 490.4211 66.74873 490.9032 60.05199 491.3853 54.11908 491.8674 49.45943 492.3495 46.34531 492.8316 44.41812 493.3138 42.79840 493.7959 41.53170 494.2780 41.28422 494.7601 43.00348 495.2422 45.87216 495.7243 48.34406 496.2065 50.36690 496.6886 52.25502 497.1707 54.31047 497.6528 56.41915 498.1349 58.41992 498.6170 60.20492 499.0992 61.98861 499.5813 63.79831 500.0634 65.70351 500.5455 67.88869 501.0276 71.23007 501.5097 74.12454 501.9919 75.69415 502.4740 75.61781 502.9561 76.04997 503.4382 77.28372 503.9203 78.99023 504.4025 81.08435 504.8846 84.29534 505.3667 86.33341 505.8488 86.85475 506.3309 86.24986 506.8130 85.22044 507.2952 83.65980 507.7773 82.16984 508.2594 80.95374 508.7415 80.00903 509.2236 79.45923 509.7057 79.36626 510.1879 78.82932 510.6700 76.97476 511.1521 74.08618 511.6342 71.03005 512.1163 68.11525 512.5984 64.69791 513.0806 59.70370 513.5627 53.78551 514.0448 48.17295 514.5269 43.69090 515.0090 39.36572 515.4911 34.28967 515.9733 28.70715 516.4554 24.09164 516.9375 21.64223 517.4196 19.72659 517.9017 17.47777 518.3839 14.78604 518.8660 11.89330 519.3481 8.046143 519.8302 4.258125 520.3123 1.784058 520.7944 1.593948 521.2766 0.8946150 521.7587 0.9381870 522.2408 3.554428 522.7229 5.808586 523.2050 7.830666 523.6871 9.014534 524.1693 8.647507 524.6514 6.893906 525.1335 5.916595 525.6156 5.799072 526.0977 5.891380 526.5798 5.673370 527.0620 5.139793 527.5441 4.211502 528.0262 2.698586 528.5083 1.145042 528.9904 0.2326510 529.4725 0.2442700 529.9547 0.7799760 530.4368 1.211578 530.9189 2.096352 531.4010 3.953003 531.8831 6.797241 532.3652 9.667122 532.8474 12.80322 533.3295 15.52528 533.8116 17.35590 534.2937 17.14618 534.7758 17.90623 535.2579 20.31923 535.7401 23.43289 536.2222 25.77982 536.7043 27.05943 537.1865 28.34322 537.6686 29.75557 538.1507 31.36817 538.6328 33.60259 539.1149 36.60341 539.5970 39.46214 540.0792 41.34723 540.5613 42.55811 541.0434 44.65433 541.5255 47.81310 542.0076 50.64420 542.4897 50.96484 542.9719 50.06924 543.4540 50.78061 543.9361 54.90456 544.4182 59.00204 544.9003 60.17449 545.3824 59.24980 545.8646 58.07133 546.3467 57.62896 546.8288 56.87801 547.3109 55.11043 547.7930 52.29639 548.2751 49.85721 548.7573 48.47398 549.2394 47.15771 549.7215 45.30560 550.2036 42.29794 550.6857 40.20256 551.1678 39.31651 551.6500 39.03925 552.1321 38.56482 552.6142 37.84985 553.0963 37.17386 553.5784 36.47503 554.0605 35.96654 554.5427 36.22282 555.0248 37.22868 555.5069 38.71721 555.9890 40.86109 556.4711 43.26354 556.9532 45.05156 557.4354 46.19564 557.9175 47.53791 558.3996 49.84135 558.8817 52.60595 559.3638 55.40392 559.8459 58.52997 560.3281 60.80670 560.8102 60.98392 561.2923 60.16409 561.7744 60.07736 562.2565 62.20612 562.7386 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