#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:38 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1233 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000645.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_1000645 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 R060558 _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 R060558.rod _rod_data_source.block 3500000 _rod_database.code 1000645 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 90.59570 0.0000000E+00 91.07782 0.2507320 91.55994 4.399414 92.04205 11.80560 92.52417 20.93707 93.00629 31.08081 93.48840 38.07019 93.97052 38.40918 94.45264 31.44348 94.93475 27.42780 95.41687 22.80658 95.89898 16.92365 96.38110 11.67767 96.86321 8.729858 97.34533 8.176392 97.82745 8.269348 98.30956 9.069092 98.79168 10.04572 99.27380 12.24060 99.75591 16.28522 100.2380 21.90601 100.7201 27.89734 101.2023 33.30042 101.6844 38.43744 102.1665 44.61694 102.6486 50.99500 103.1307 58.41763 103.6128 67.79205 104.0950 79.52942 104.5771 93.97794 105.0592 111.4308 105.5413 131.5927 106.0234 154.2776 106.5055 179.9038 106.9877 207.7141 107.4698 236.4234 107.9519 269.9394 108.4340 300.1298 108.9161 327.4090 109.3982 349.2977 109.8804 363.0482 110.3625 367.2470 110.8446 361.8913 111.3267 349.8895 111.8088 327.7595 112.2909 302.4469 112.7731 274.9290 113.2552 245.6281 113.7373 216.4370 114.2194 190.2946 114.7015 167.9907 115.1836 148.3739 115.6658 132.5776 116.1479 119.0180 116.6300 106.2734 117.1121 93.84085 117.5942 82.19156 118.0763 72.66986 118.5584 65.56403 119.0406 59.08099 119.5227 52.73337 120.0048 46.58325 120.4869 40.80765 120.9690 35.47916 121.4511 30.93890 121.9333 27.50812 122.4154 25.48108 122.8975 24.03171 123.3796 22.68329 123.8617 21.47556 124.3438 19.94092 124.8260 18.15115 125.3081 15.80411 125.7902 12.21338 126.2723 6.661469 126.7544 0.3767700 127.2365 3.721924 127.7187 4.653015 128.2008 4.846924 128.6829 4.692413 129.1650 4.476013 129.6471 4.617340 130.1292 5.472565 130.6114 6.955566 131.0935 7.778748 131.5756 7.283569 132.0577 6.722656 132.5398 6.461517 133.0219 6.393402 133.5041 6.221436 133.9862 5.730927 134.4683 4.951385 134.9504 3.431763 135.4325 1.108154 135.9146 1.769226 136.3968 4.828339 136.8789 8.073334 137.3610 12.35947 137.8431 18.89185 138.3252 28.27548 138.8073 36.78973 139.2895 43.69934 139.7716 49.79053 140.2537 56.15637 140.7358 63.14142 141.2179 69.89398 141.7000 75.27066 142.1821 79.45462 142.6643 82.53485 143.1464 84.59219 143.6285 85.58386 144.1106 85.19778 144.5927 82.53159 145.0748 79.34845 145.5570 77.13431 146.0391 75.92004 146.5212 75.25803 147.0033 74.69717 147.4854 74.17715 147.9675 74.35556 148.4497 76.53815 148.9318 79.85666 149.4139 85.03091 149.8960 92.15573 150.3781 100.5871 150.8602 109.5743 151.3424 119.9677 151.8245 129.1053 152.3066 137.4031 152.7887 144.3173 153.2708 149.3667 153.7529 152.3681 154.2351 153.6539 154.7172 153.9709 155.1993 151.7308 155.6814 150.4175 156.1635 150.7371 156.6456 151.9000 157.1278 152.8739 157.6099 153.1111 158.0920 152.9749 158.5741 154.0769 159.0562 157.9302 159.5383 161.1303 160.0205 162.4797 160.5026 162.5208 160.9847 162.4392 161.4668 162.7910 161.9489 163.6459 162.4310 165.0772 162.9131 166.6553 163.3953 169.1039 163.8774 172.7778 164.3595 177.6683 164.8416 183.6352 165.3237 190.3720 165.8058 198.3892 166.2880 208.5166 166.7701 221.4074 167.2522 236.0474 167.7343 251.2197 168.2164 266.7629 168.6985 283.5074 169.1807 303.6104 169.6628 324.7530 170.1449 344.5648 170.6270 363.7533 171.1091 380.0553 171.5912 387.9600 172.0734 385.5816 172.5555 377.2865 173.0376 364.2589 173.5197 347.7286 174.0018 329.0694 174.4839 308.6996 174.9661 287.0464 175.4482 266.4687 175.9303 247.9731 176.4124 229.3694 176.8945 209.6959 177.3766 189.5074 177.8588 170.0096 178.3409 151.8984 178.8230 135.0783 179.3051 119.4138 179.7872 104.3832 180.2693 90.92392 180.7515 79.58527 181.2336 70.12811 181.7157 62.13657 182.1978 55.32071 182.6799 49.79521 183.1620 44.60936 183.6441 39.24916 184.1263 34.40994 184.6084 30.35941 185.0905 27.14363 185.5726 24.81020 186.0547 23.24193 186.5368 22.55441 187.0190 22.87256 187.5011 24.14067 187.9832 26.28470 188.4653 29.27838 188.9474 33.14206 189.4296 37.87225 189.9117 43.22028 190.3938 49.25287 190.8759 57.20699 191.3580 67.32303 191.8401 79.37329 192.3223 93.46243 192.8044 109.8643 193.2865 127.4306 193.7686 146.7768 194.2507 166.9147 194.7328 183.7518 195.2150 197.2994 195.6971 206.5822 196.1792 209.0994 196.6613 203.1341 197.1434 193.2477 197.6255 181.1257 198.1077 167.7448 198.5898 156.0045 199.0719 146.9319 199.5540 140.5437 200.0361 137.0936 200.5182 137.1895 201.0004 139.7688 201.4825 144.0224 201.9646 149.8881 202.4467 157.2329 202.9288 166.2438 203.4109 176.8626 203.8930 187.7710 204.3752 198.6345 204.8573 210.1919 205.3394 222.8566 205.8215 236.3782 206.3036 250.3283 206.7857 264.5963 207.2679 279.2906 207.7500 292.3293 208.2321 302.2244 208.7142 311.6938 209.1963 321.6908 209.6784 331.9842 210.1606 341.7886 210.6427 350.4792 211.1248 358.0159 211.6069 364.2554 212.0890 369.5980 212.5711 373.4378 213.0533 375.6623 213.5354 376.1772 214.0175 374.8607 214.4996 371.5652 214.9817 366.1866 215.4638 359.0925 215.9460 350.3561 216.4281 340.2896 216.9102 328.4236 217.3923 315.1459 217.8744 301.5996 218.3565 288.9437 218.8387 277.3514 219.3208 265.0278 219.8029 251.9457 220.2850 238.2139 220.7671 223.6707 221.2492 208.4053 221.7314 192.8796 222.2135 177.3415 222.6956 161.8342 223.1777 147.1144 223.6598 133.0522 224.1419 119.8248 224.6240 107.7561 225.1062 96.80594 225.5883 86.54860 226.0704 76.76625 226.5525 67.48384 227.0346 58.34549 227.5167 48.61967 227.9989 39.49481 228.4810 32.51329 228.9631 27.80704 229.4452 23.51123 229.9273 18.15941 230.4094 12.22426 230.8916 6.993988 231.3737 3.001358 231.8558 0.3523410 232.3379 3.862411 232.8200 7.635849 233.3021 10.81711 233.7843 12.33128 234.2664 12.98372 234.7485 14.01483 235.2306 16.17624 235.7127 18.47450 236.1948 19.51724 236.6770 19.12178 237.1591 18.22865 237.6412 17.17876 238.1233 15.93866 238.6054 14.39403 239.0875 12.46916 239.5697 10.36786 240.0518 8.470078 240.5339 6.861359 241.0160 5.113342 241.4981 3.094360 241.9802 0.8453830 242.4624 1.713455 242.9445 4.687271 243.4266 7.726685 243.9087 10.08949 244.3908 11.35532 244.8729 13.12935 245.3550 15.73561 245.8372 19.03520 246.3193 23.02322 246.8014 27.72456 247.2835 32.92203 247.7656 38.38557 248.2477 44.24886 248.7299 50.03922 249.2120 55.49155 249.6941 60.87875 250.1762 66.47148 250.6583 72.35124 251.1404 78.23349 251.6226 83.62527 252.1047 88.11209 252.5868 92.99951 253.0689 98.75583 253.5510 104.6619 254.0331 110.4410 254.5153 115.9363 254.9974 120.9001 255.4795 125.0142 255.9616 128.3171 256.4437 130.5117 256.9258 131.2751 257.4080 131.4143 257.8901 131.2452 258.3722 130.9273 258.8543 130.6664 259.3364 130.6407 259.8185 130.4458 260.3007 131.6602 260.7828 134.3130 261.2649 138.0198 261.7470 142.6542 262.2291 148.1500 262.7112 154.3395 263.1934 161.0781 263.6755 168.3892 264.1576 176.2683 264.6397 184.5693 265.1218 193.3957 265.6039 202.6225 266.0861 212.3201 266.5682 222.8754 267.0503 234.7999 267.5324 248.3779 268.0145 261.3203 268.4966 274.0196 268.9788 285.8922 269.4609 296.6898 269.9430 306.3716 270.4251 314.9464 270.9072 322.4403 271.3893 328.8061 271.8715 333.8212 272.3536 338.2105 272.8357 340.8931 273.3178 341.0804 273.7999 339.1265 274.2820 335.9524 274.7642 332.1294 275.2463 327.6413 275.7284 322.2852 276.2105 316.5808 276.6926 309.7056 277.1747 300.8960 277.6568 290.6583 278.1389 280.2318 278.6211 270.3588 279.1032 260.7110 279.5853 249.6510 280.0674 235.9065 280.5495 222.5128 281.0316 210.4123 281.5138 199.1445 281.9959 187.7589 282.4780 175.7751 282.9601 163.7021 283.4422 153.1241 283.9243 143.7159 284.4065 135.9308 284.8886 130.1233 285.3707 125.9339 285.8528 122.9037 286.3349 120.9018 286.8170 119.8724 287.2992 119.6001 287.7813 119.5319 288.2634 121.8593 288.7455 127.9800 289.2276 136.2551 289.7097 144.6757 290.1919 152.6997 290.6740 160.9129 291.1561 170.2093 291.6382 180.7155 292.1203 192.0510 292.6024 203.9845 293.0846 216.7524 293.5667 230.8315 294.0488 246.3893 294.5309 262.6729 295.0130 279.2030 295.4951 295.9674 295.9773 312.1571 296.4594 327.3579 296.9415 342.2910 297.4236 358.0366 297.9057 374.3694 298.3878 389.5421 298.8700 402.3699 299.3521 412.7527 299.8342 421.8839 300.3163 429.8945 300.7984 436.4057 301.2805 441.3632 301.7627 444.7073 302.2448 446.2170 302.7269 445.5426 303.2090 443.0227 303.6911 439.9487 304.1732 436.3607 304.6554 432.2410 305.1375 427.4775 305.6196 422.1713 306.1017 416.7318 306.5838 411.5470 307.0659 405.8694 307.5481 398.0225 308.0302 387.6825 308.5123 377.2950 308.9944 368.1329 309.4765 359.3947 309.9586 349.6657 310.4408 338.4585 310.9229 326.9531 311.4050 316.7535 311.8871 307.7635 312.3692 299.5214 312.8513 291.2079 313.3335 283.9662 313.8156 278.9459 314.2977 276.2765 314.7798 275.6337 315.2619 276.7179 315.7440 279.7222 316.2262 285.2982 316.7083 295.1154 317.1904 306.4295 317.6725 317.3833 318.1546 327.8174 318.6367 337.5804 319.1188 347.2201 319.6010 355.8785 320.0831 360.8902 320.5652 363.0165 321.0473 360.8971 321.5294 353.4138 322.0115 341.0898 322.4937 325.1792 322.9758 305.9274 323.4579 283.8764 323.9400 260.5937 324.4221 234.7645 324.9042 210.5034 325.3864 189.2709 325.8685 170.5423 326.3506 153.0530 326.8327 136.3201 327.3148 120.9971 327.7969 108.3076 328.2791 98.26544 328.7612 89.73201 329.2433 82.66121 329.7254 76.96918 330.2075 72.79274 330.6896 70.15533 331.1718 68.30005 331.6539 66.35574 332.1360 64.32793 332.6181 63.64943 333.1002 64.99078 333.5823 67.22641 334.0645 69.42798 334.5466 71.64897 335.0287 74.71097 335.5108 79.22643 335.9929 85.12460 336.4750 91.35196 336.9572 97.19965 337.4393 104.1052 337.9214 112.8640 338.4035 123.1671 338.8856 133.9937 339.3677 144.6802 339.8499 156.0001 340.3320 170.3079 340.8141 188.4478 341.2962 207.4047 341.7783 226.1213 342.2604 245.5424 342.7426 267.3696 343.2247 292.0108 343.7068 317.4552 344.1889 341.1851 344.6710 363.4998 345.1531 382.0382 345.6353 397.5005 346.1174 408.5327 346.5995 413.7290 347.0816 413.1636 347.5637 408.1056 348.0458 399.3831 348.5280 386.7805 349.0101 372.8270 349.4922 355.4706 349.9743 339.0603 350.4564 325.4522 350.9385 314.3838 351.4207 305.0070 351.9028 296.9712 352.3849 290.1037 352.8670 283.6132 353.3491 278.0107 353.8312 272.1693 354.3134 267.2472 354.7955 261.5226 355.2776 252.8564 355.7597 240.5216 356.2418 225.5302 356.7239 209.3722 357.2061 191.3814 357.6882 173.4837 358.1703 155.0762 358.6524 137.1627 359.1345 120.3329 359.6166 104.6689 360.0987 90.29898 360.5808 77.27733 361.0630 65.63519 361.5451 55.10292 362.0272 45.83022 362.5093 37.44345 362.9914 29.91824 363.4735 23.16101 363.9557 17.22435 364.4378 12.14531 364.9199 7.819382 365.4020 3.783905 365.8841 0.3048100 366.3662 3.527710 366.8484 5.411469 367.3305 6.612427 367.8126 7.713211 368.2947 8.906998 368.7768 10.10359 369.2589 11.16470 369.7411 12.05191 370.2232 12.89806 370.7053 14.13472 371.1874 14.99084 371.6695 14.90863 372.1516 13.99130 372.6338 12.83095 373.1159 11.90424 373.5980 11.20633 374.0801 10.59906 374.5622 10.43776 375.0443 9.896637 375.5265 8.540024 376.0086 6.691376 376.4907 4.883118 376.9728 3.405609 377.4549 2.014755 377.9370 0.1666720 378.4192 2.202988 378.9013 4.865143 379.3834 7.701996 379.8655 10.83672 380.3476 14.43814 380.8297 18.53580 381.3119 22.91029 381.7940 27.16730 382.2761 31.33011 382.7582 36.24721 383.2403 42.05539 383.7224 48.71300 384.2046 56.17426 384.6867 64.33864 385.1688 73.05081 385.6509 81.98439 386.1330 91.37321 386.6151 101.9473 387.0973 113.8840 387.5794 126.2722 388.0615 139.3116 388.5436 152.3327 389.0257 164.3783 389.5078 175.3019 389.9900 185.1457 390.4721 194.1109 390.9542 202.1460 391.4363 208.5381 391.9184 212.8809 392.4005 215.5999 392.8827 217.6393 393.3648 219.1761 393.8469 218.8493 394.3290 215.9434 394.8111 210.9035 395.2932 204.1855 395.7754 195.7071 396.2575 186.4817 396.7396 177.3472 397.2217 168.2048 397.7038 158.2442 398.1859 146.3191 398.6681 134.4285 399.1501 123.5724 399.6323 113.7921 400.1144 105.1054 400.5965 97.58311 401.0786 91.06507 401.5607 85.24083 402.0428 79.72030 402.5250 75.40504 403.0071 73.12055 403.4892 71.84001 403.9713 70.32040 404.4534 68.30856 404.9355 66.48540 405.4177 65.67842 405.8998 66.09638 406.3819 66.53114 406.8640 66.44817 407.3461 66.83479 407.8282 68.33071 408.3104 70.71230 408.7925 73.28392 409.2746 75.58645 409.7567 77.83188 410.2388 81.03714 410.7209 85.52589 411.2031 90.58759 411.6852 96.10439 412.1673 102.1881 412.6494 108.7992 413.1315 116.0155 413.6136 124.2063 414.0958 133.8102 414.5779 144.8918 415.0600 157.3886 415.5421 171.8791 416.0242 187.2525 416.5063 203.1487 416.9885 219.6587 417.4706 237.1091 417.9527 256.5029 418.4348 276.4273 418.9169 292.4683 419.3990 304.5598 419.8812 312.5100 420.3633 314.9672 420.8454 314.2209 421.3275 311.4580 421.8096 306.8809 422.2917 302.5298 422.7739 300.1856 423.2560 299.8437 423.7381 301.2496 424.2202 304.0373 424.7023 309.0379 425.1844 316.7857 425.6666 326.9952 426.1487 338.8165 426.6308 352.0622 427.1129 366.6771 427.5950 383.0107 428.0771 401.2905 428.5593 419.1321 429.0414 435.6899 429.5235 450.7161 430.0056 464.3356 430.4877 477.3671 430.9698 487.1985 431.4520 493.3961 431.9341 495.3134 432.4162 491.2344 432.8983 480.5866 433.3804 465.3836 433.8625 447.5280 434.3447 426.7794 434.8268 403.8629 435.3089 377.2915 435.7910 349.8514 436.2731 322.7141 436.7552 296.2296 437.2374 270.9692 437.7195 247.2229 438.2016 225.1183 438.6837 205.6157 439.1658 188.6887 439.6479 174.4633 440.1301 163.6417 440.6122 155.1912 441.0943 148.2931 441.5764 142.7790 442.0585 138.8799 442.5406 136.9596 443.0227 137.1328 443.5049 138.4293 443.9870 141.9006 444.4691 145.4209 444.9512 148.9880 445.4333 152.0231 445.9154 154.0111 446.3976 154.7869 446.8797 153.7170 447.3618 149.1088 447.8439 140.0798 448.3260 130.1240 448.8081 119.0875 449.2903 107.8283 449.7724 96.62299 450.2545 85.59812 450.7366 75.12665 451.2187 65.46654 451.7008 56.58813 452.1830 48.64931 452.6651 41.75549 453.1472 35.64037 453.6293 30.18937 454.1114 25.42086 454.5935 21.54827 455.0757 18.88840 455.5578 16.63796 456.0399 14.09605 456.5220 11.38159 457.0041 8.946014 457.4862 6.889145 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484.4847 82.52301 484.9669 89.68854 485.4490 96.35085 485.9311 102.1254 486.4132 106.6715 486.8953 109.8688 487.3774 111.0800 487.8596 109.1645 488.3417 103.3228 488.8238 96.29841 489.3059 87.55777 489.7880 78.37670 490.2701 68.84277 490.7523 59.41756 491.2344 50.91316 491.7165 43.86501 492.1986 38.02087 492.6807 32.68755 493.1628 27.79404 493.6450 23.64656 494.1271 20.41694 494.6092 17.92429 495.0913 16.17406 495.5734 15.12951 496.0555 14.57240 496.5377 14.53062 497.0198 14.85560 497.5019 15.10284 497.9840 15.20536 498.4661 15.50456 498.9482 16.16874 499.4304 17.18372 499.9125 18.50930 500.3946 20.25559 500.8767 22.04620 501.3588 23.72594 501.8409 25.32693 502.3231 26.90414 502.8052 28.46330 503.2873 30.06015 503.7694 31.69794 504.2515 33.38961 504.7336 35.47508 505.2158 38.27524 505.6979 41.06128 506.1800 43.38985 506.6621 45.59602 507.1442 48.23944 507.6263 51.50847 508.1085 55.04366 508.5906 58.29378 509.0727 61.23776 509.5548 63.98032 510.0369 66.23046 510.5190 68.56165 511.0012 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