#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:17 +0300 (Thu, 24 May 2018) $ #$Revision: 667 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000193.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_1000193 loop_ _publ_author_name 'Evans, B. W.' 'Yang, H.' _publ_section_title ; Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient and high temperature Sample: NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock ; _journal_name_full 'American Mineralogist' _journal_page_first 458 _journal_page_last 475 _journal_volume 83 _journal_year 1998 _chemical_compound_source R050336 _chemical_formula_sum 'Al0.122 Ca1.802 Fe0.575 H1.94 K0.014 Mg4.479 Mn0.016 Na0.124 O24 Si7.94 Ti0.002' _chemical_name_mineral Actinolite _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 104.63 _cell_angle_gamma 90 _cell_length_a 9.834 _cell_length_b 18.078 _cell_length_c 5.283 _cell_volume 908.755 _exptl_crystal_density_diffrn 3.033 _cod_original_formula_sum ;Al0.122 Ca1.802 Fe0.575 H1.94 K0.014 Mg4.479 Mn0.016 Na0.124 O24 Si7.94 Ti0.002 ; _cod_database_code 9001920 _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 R050336.rod _rod_data_source.block 3500000 _rod_database.code 1000193 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 9001920 COD http://www.crystallography.net/cod/9001920.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 140.0831 0.0000000E+00 140.5652 1.716003 141.0473 2.777191 141.5294 0.4885250 142.0115 0.4945980 142.4937 0.2644040 142.9758 1.127991 143.4579 1.579285 143.9400 1.447357 144.4221 1.513794 144.9042 1.554932 145.3864 1.869263 145.8685 3.054413 146.3506 5.959991 146.8327 8.563751 147.3148 10.12112 147.7969 9.834259 148.2791 10.25754 148.7612 11.50577 149.2433 13.42719 149.7254 15.73709 150.2075 19.07617 150.6896 22.23621 151.1718 24.70831 151.6539 25.44855 152.1360 27.03748 152.6181 29.35828 153.1002 32.52255 153.5823 36.86411 154.0645 43.92853 154.5466 51.10138 155.0287 57.15417 155.5108 61.28363 155.9929 65.21277 156.4750 68.81973 156.9572 72.29224 157.4393 76.34531 157.9214 82.75894 158.4035 88.85941 158.8856 93.00397 159.3677 95.07858 159.8499 94.95563 160.3320 91.74133 160.8141 85.89273 161.2962 80.02090 161.7783 75.30002 162.2604 70.87875 162.7426 66.05457 163.2247 59.28775 163.7068 53.23489 164.1889 49.16251 164.6710 47.03464 165.1531 45.70331 165.6353 45.17197 166.1174 44.95456 166.5995 44.52844 167.0816 43.23257 167.5637 42.00928 168.0458 41.31033 168.5280 41.15292 169.0101 41.71518 169.4922 43.77811 169.9743 46.49756 170.4564 48.68607 170.9385 49.48279 171.4207 49.76877 171.9028 50.18961 172.3849 50.76129 172.8670 51.63687 173.3491 53.28766 173.8312 55.32440 174.3134 57.00476 174.7955 57.75574 175.2776 58.07272 175.7597 58.71213 176.2418 59.80603 176.7239 60.43790 177.2061 59.70956 177.6882 57.84048 178.1703 55.45242 178.6524 52.33188 179.1345 48.98087 179.6166 46.55347 180.0988 45.28070 180.5809 43.87823 181.0630 40.47324 181.5451 35.50018 182.0272 30.86240 182.5093 27.55551 182.9915 25.24814 183.4736 23.27502 183.9557 21.61047 184.4378 20.11057 184.9199 18.61450 185.4020 17.13516 185.8842 15.52591 186.3663 13.55566 186.8484 11.36484 187.3305 9.621002 187.8126 8.447784 188.2947 7.481659 188.7769 5.917542 189.2590 3.804230 189.7411 2.154266 190.2232 1.925171 190.7053 2.840179 191.1874 2.936035 191.6696 1.787506 192.1517 0.2723690 192.6338 0.1092530 193.1159 1.336945 193.5980 2.846252 194.0801 4.168243 194.5623 5.282196 195.0444 5.799652 195.5265 5.480835 196.0086 4.829651 196.4907 4.903595 196.9728 5.742371 197.4550 6.943848 197.9371 8.240601 198.4192 9.704742 198.9013 11.31821 199.3834 13.19614 199.8655 15.09451 200.3477 16.36569 200.8298 16.80576 201.3119 17.35120 201.7940 18.53647 202.2761 20.38074 202.7582 22.69788 203.2404 25.59818 203.7225 28.87103 204.2046 32.01196 204.6867 35.08350 205.1688 37.83722 205.6509 39.98087 206.1331 41.41251 206.6152 42.94128 207.0973 44.49390 207.5794 46.24478 208.0615 48.90079 208.5436 52.75980 209.0258 56.91385 209.5079 60.59818 209.9900 63.49985 210.4721 67.02881 210.9542 71.44464 211.4363 76.48508 211.9185 81.31668 212.4006 85.87411 212.8827 90.44513 213.3648 95.18402 213.8469 100.2907 214.3290 105.0195 214.8112 109.1293 215.2933 112.8264 215.7754 117.0739 216.2575 122.1737 216.7396 127.2030 217.2217 131.5590 217.7038 135.0184 218.1860 138.5167 218.6681 142.1897 219.1502 145.8985 219.6323 149.1898 220.1144 152.2452 220.5965 154.4097 221.0787 155.1498 221.5608 153.8169 222.0429 153.1502 222.5250 153.7469 223.0071 155.0609 223.4892 155.0108 223.9714 152.9840 224.4535 150.5135 224.9356 148.3813 225.4177 146.7611 225.8998 145.1303 226.3819 143.5597 226.8641 141.9467 227.3462 139.9141 227.8283 137.0762 228.3104 134.3929 228.7925 132.5471 229.2746 132.3613 229.7568 131.0291 230.2389 128.0486 230.7210 123.9037 231.2031 120.2852 231.6852 117.6463 232.1673 114.8662 232.6495 111.4098 233.1316 107.0516 233.6137 102.4890 234.0958 97.59238 234.5779 92.58484 235.0600 88.23090 235.5422 84.89520 236.0243 81.61264 236.5064 77.90555 236.9885 73.44254 237.4706 69.30014 237.9527 65.62653 238.4349 62.28708 238.9170 58.91882 239.3991 55.08688 239.8812 51.87598 240.3633 49.88940 240.8454 49.87994 241.3276 49.21118 241.8097 47.63797 242.2918 45.50848 242.7739 43.53091 243.2560 41.48291 243.7381 39.93640 244.2203 39.23465 244.7024 39.85583 245.1845 39.94577 245.6666 39.21356 246.1487 38.09161 246.6308 37.42783 247.1130 37.53622 247.5951 37.58502 248.0772 37.26083 248.5593 36.43948 249.0414 35.69794 249.5235 35.11639 250.0057 34.56238 250.4878 33.77170 250.9699 32.56424 251.4520 31.43893 251.9341 30.64169 252.4162 30.31372 252.8984 29.54239 253.3805 28.04712 253.8626 26.31259 254.3447 25.14398 254.8268 24.84186 255.3089 24.45364 255.7911 23.71954 256.2732 22.60944 256.7553 21.36444 257.2374 19.89273 257.7195 18.37167 258.2017 17.03317 258.6838 15.95438 259.1659 14.84753 259.6480 13.56628 260.1301 12.10565 260.6122 11.02173 261.0944 10.60254 261.5765 10.19812 262.0586 8.992065 262.5407 6.573669 263.0228 4.505463 263.5049 3.165192 263.9871 2.521973 264.4692 2.176147 264.9513 2.383392 265.4334 2.475571 265.9155 1.666000 266.3976 0.4246060 266.8798 2.074326 267.3619 2.911987 267.8440 3.024948 268.3261 2.993668 268.8082 2.740036 269.2903 2.506989 269.7725 2.483139 270.2546 2.680969 270.7367 3.040146 271.2188 3.613098 271.7009 4.328751 272.1830 4.918533 272.6652 5.390320 273.1473 5.704147 273.6294 5.791260 274.1115 5.607086 274.5936 5.485367 275.0757 5.505478 275.5579 5.579285 276.0400 5.492142 276.5221 5.273376 277.0042 4.783707 277.4863 3.738327 277.9684 2.056595 278.4506 1.000732 278.9327 0.8029330 279.4148 1.084213 279.8969 1.160110 280.3790 1.056534 280.8611 0.5578920 281.3433 0.6744380 281.8254 2.638840 282.3075 4.173203 282.7896 5.277634 283.2717 5.902084 283.7538 5.718781 284.2360 4.689407 284.7181 3.877625 285.2002 3.760437 285.6823 4.290710 286.1644 5.130722 286.6465 6.335510 287.1287 7.615509 287.6108 8.626282 288.0929 9.371307 288.5750 9.939850 289.0571 10.35210 289.5392 10.61311 290.0214 10.66278 290.5035 10.46962 290.9856 10.32138 291.4677 10.48900 291.9498 10.96158 292.4319 11.67540 292.9141 12.74287 293.3962 13.97447 293.8783 15.04865 294.3604 15.96471 294.8425 16.46494 295.3246 15.89479 295.8068 14.65224 296.2889 14.13281 296.7710 14.91853 297.2531 16.28493 297.7352 17.05379 298.2173 17.27023 298.6995 17.33897 299.1816 17.47714 299.6637 17.67973 300.1458 17.92511 300.6279 18.19484 301.1100 18.53360 301.5922 19.11996 302.0743 19.86316 302.5564 20.40454 303.0385 20.49985 303.5206 20.27075 304.0027 19.82527 304.4849 19.11807 304.9670 18.44005 305.4491 17.99254 305.9312 17.78906 306.4133 17.86288 306.8954 18.69415 307.3776 19.56958 307.8597 19.61368 308.3418 18.70786 308.8239 17.78569 309.3060 17.57677 309.7881 17.80373 310.2703 18.03062 310.7524 18.09315 311.2345 18.08795 311.7166 18.07669 312.1987 18.06020 312.6808 18.02243 313.1630 17.78003 313.6451 17.57361 314.1272 17.66687 314.6093 18.81784 315.0914 19.64632 315.5735 18.99657 316.0557 17.20647 316.5378 16.07895 317.0199 17.24139 317.5020 18.85796 317.9841 19.54530 318.4662 18.25085 318.9484 17.08707 319.4305 16.66899 319.9126 16.89816 320.3947 17.50925 320.8768 19.19400 321.3589 20.65610 321.8411 21.09665 322.3232 19.78604 322.8053 19.01263 323.2874 19.55217 323.7695 20.80432 324.2516 21.76308 324.7338 22.19215 325.2159 22.45135 325.6980 22.65594 326.1801 22.80453 326.6622 22.99344 327.1443 23.27933 327.6265 23.57611 328.1086 23.79904 328.5907 23.95615 329.0728 23.99094 329.5549 23.85095 330.0370 23.54495 330.5192 23.29480 331.0013 23.48715 331.4834 23.44662 331.9655 22.62454 332.4476 20.02301 332.9297 18.37311 333.4119 18.35202 333.8940 19.51501 334.3761 19.82019 334.8582 18.82034 335.3403 17.72372 335.8224 17.16177 336.3046 17.23123 336.7867 17.36221 337.2688 17.63132 337.7509 17.84967 338.2330 17.56982 338.7151 16.67776 339.1973 15.78986 339.6794 15.05460 340.1615 14.46268 340.6436 13.85983 341.1257 13.11420 341.6078 12.65497 342.0899 13.33438 342.5721 15.26419 343.0542 16.66113 343.5363 16.64304 344.0184 15.69925 344.5005 16.17419 344.9826 18.22574 345.4648 20.51926 345.9469 21.77536 346.4290 22.12619 346.9111 22.48969 347.3932 23.05627 347.8753 23.70612 348.3575 24.08517 348.8396 24.22665 349.3217 24.59412 349.8038 25.70572 350.2859 27.25656 350.7680 28.45795 351.2502 29.14319 351.7323 29.74265 352.2144 30.90842 352.6965 32.43597 353.1786 33.67188 353.6607 34.02441 354.1429 34.03625 354.6250 34.31357 355.1071 34.88586 355.5892 35.76318 356.0713 37.15610 356.5534 38.82159 357.0356 40.39594 357.5177 41.53146 357.9998 42.72275 358.4819 44.30685 358.9640 46.24976 359.4461 48.33298 359.9283 50.35046 360.4104 52.50552 360.8925 55.02817 361.3746 58.32333 361.8567 61.36807 362.3388 63.47879 362.8210 65.01163 363.3031 66.82706 363.7852 69.76715 364.2673 72.58386 364.7494 74.61435 365.2315 75.56668 365.7137 76.55786 366.1958 77.66696 366.6779 78.96466 367.1600 80.54364 367.6421 83.28046 368.1242 85.40411 368.6064 86.56232 369.0885 86.72556 369.5706 86.22626 370.0527 84.50174 370.5348 82.55289 371.0169 81.02252 371.4991 80.28238 371.9812 79.36633 372.4633 78.18884 372.9454 76.78979 373.4275 75.32117 373.9096 73.72369 374.3918 72.13223 374.8739 70.58340 375.3560 68.97488 375.8381 67.86514 376.3202 67.51270 376.8023 67.33847 377.2845 66.29526 377.7666 64.17319 378.2487 62.36722 378.7308 61.42126 379.2129 61.20926 379.6950 61.02060 380.1772 60.84683 380.6593 60.71725 381.1414 60.63919 381.6235 60.61877 382.1056 60.67969 382.5877 60.77560 383.0699 61.03101 383.5520 61.60562 384.0341 62.51678 384.5162 63.88495 384.9983 66.34592 385.4804 69.25726 385.9626 71.15005 386.4447 71.77179 386.9268 71.95404 387.4089 72.24695 387.8910 72.73911 388.3731 73.62888 388.8553 75.85324 389.3374 77.98166 389.8195 78.50623 390.3016 77.48825 390.7837 75.99094 391.2658 74.42004 391.7480 72.71671 392.2301 70.84476 392.7122 68.79889 393.1943 66.57712 393.6764 64.29355 394.1585 61.85522 394.6407 59.05139 395.1228 55.37970 395.6049 51.70734 396.0870 48.36880 396.5691 45.41412 397.0512 42.73087 397.5334 40.32477 398.0155 38.20755 398.4976 36.38187 398.9797 34.95261 399.4618 33.62918 399.9439 32.24146 400.4261 30.80585 400.9082 30.05682 401.3903 30.47105 401.8724 31.08519 402.3545 31.14018 402.8366 29.97638 403.3188 29.61911 403.8009 30.42332 404.2830 32.09859 404.7651 34.11794 405.2472 36.97406 405.7293 39.17700 406.2115 39.70441 406.6936 38.45692 407.1757 37.99094 407.6578 38.36615 408.1399 39.30688 408.6220 40.69855 409.1042 42.53604 409.5863 44.02332 410.0684 44.89195 410.5505 45.36606 411.0326 45.91016 411.5147 46.52277 411.9969 47.21674 412.4790 48.19186 412.9611 49.23627 413.4432 49.82579 413.9253 49.79492 414.4074 49.48819 414.8896 49.19023 415.3717 48.91522 415.8538 48.66849 416.3359 49.16203 416.8180 49.24034 417.3001 47.23166 417.7823 43.18192 418.2644 39.96321 418.7465 40.28120 419.2286 41.63300 419.7107 41.57010 420.1928 38.38139 420.6750 35.14412 421.1571 33.09224 421.6392 31.87344 422.1213 30.63383 422.6034 28.62239 423.0855 26.99692 423.5677 26.49245 424.0498 27.76721 424.5319 28.00555 425.0140 25.91821 425.4961 23.20959 425.9782 21.61832 426.4604 22.11488 426.9425 22.30205 427.4246 21.62741 427.9067 20.28101 428.3888 19.69235 428.8709 20.18423 429.3531 20.86438 429.8352 21.25931 430.3173 21.32729 430.7994 21.33609 431.2815 21.36864 431.7636 21.21577 432.2458 20.34084 432.7279 18.67729 433.2100 17.36435 433.6921 16.86819 434.1742 17.01556 434.6563 17.47458 435.1385 18.27863 435.6206 18.52057 436.1027 16.92845 436.5848 14.15344 437.0669 11.96283 437.5490 10.72409 438.0312 10.07298 438.5133 9.975525 438.9954 10.16975 439.4775 9.921829 439.9596 8.343979 440.4417 6.485641 440.9239 5.278442 441.4060 4.778458 441.8881 4.563095 442.3702 4.594711 442.8523 4.708679 443.3344 4.747131 443.8166 4.731522 444.2987 4.556534 444.7808 4.083557 445.2629 3.408783 445.7450 2.811752 446.2271 2.722717 446.7093 2.410095 447.1914 1.375198 447.6735 0.9595340 448.1556 2.108368 448.6377 1.237335 449.1198 0.2679140 449.6020 0.9962620 450.0841 0.5420380 450.5662 0.1585540 451.0483 0.1113130 451.5304 0.2726900 452.0125 1.2100000E-02 452.4947 0.9409180 452.9768 1.720764 453.4589 1.757584 453.9410 1.028000 454.4231 0.8412930 454.9052 1.343170 455.3874 2.019623 455.8695 2.135620 456.3516 1.781738 456.8337 1.607666 457.3158 1.885330 457.7979 2.415634 458.2801 3.063766 458.7622 3.753952 459.2443 3.965973 459.7264 2.970261 460.2085 1.415970 460.6906 1.9301999E-02 461.1728 1.379837 461.6549 1.965729 462.1370 0.5791170 462.6191 1.761841 463.1012 3.533707 463.5833 3.968185 464.0655 3.908447 464.5476 3.669708 465.0297 3.253815 465.5118 2.568283 465.9939 1.011398 466.4760 0.3908540 466.9582 1.043854 467.4403 0.4599000 467.9224 8.6425997E-02 468.4045 0.5393370 468.8866 0.9478150 469.3687 1.452896 469.8509 2.424973 470.3330 2.760010 470.8151 1.948059 471.2972 0.1497650 471.7793 0.8883820 472.2614 1.017853 472.7436 0.8215790 473.2257 0.7039790 473.7078 0.6678620 474.1899 0.3486790 474.6720 0.4037480 475.1541 1.119324 475.6363 1.004562 476.1184 0.1664280 476.6005 0.7174680 477.0826 1.375107 477.5647 1.915054 478.0468 2.650406 478.5290 3.531204 479.0111 4.100632 479.4932 3.617294 479.9753 2.822311 480.4574 2.620163 480.9395 3.276825 481.4217 4.189804 481.9038 5.294571 482.3859 6.344757 482.8680 6.961685 483.3501 6.317078 483.8322 5.899597 484.3144 6.468643 484.7965 7.944351 485.2786 9.049576 485.7607 9.325256 486.2428 9.381607 486.7249 9.508087 487.2071 9.693039 487.6892 9.978653 488.1713 10.41490 488.6534 10.92030 489.1355 11.33061 489.6176 11.51714 490.0998 12.02740 490.5819 13.08992 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