#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:51:06 +0300 (Thu, 24 May 2018) $ #$Revision: 829 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000318.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_1000318 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 R120010 _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 R120010.rod _rod_data_source.block 3500000 _rod_database.code 1000318 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 182.0944 0.0000000E+00 182.5765 0.1594850 183.0586 1.610565 183.5407 4.624237 184.0228 8.845856 184.5049 14.04468 184.9871 19.86554 185.4692 26.12891 185.9513 32.71976 186.4334 38.89667 186.9155 44.63541 187.3976 49.76797 187.8798 53.68707 188.3619 56.24905 188.8440 57.96237 189.3261 59.67767 189.8082 61.33286 190.2903 61.96582 190.7725 60.81396 191.2546 58.11786 191.7367 55.38742 192.2188 52.72775 192.7009 49.90179 193.1830 46.35510 193.6652 42.09750 194.1473 37.89645 194.6294 34.21661 195.1115 31.02890 195.5936 27.97733 196.0757 25.03363 196.5579 22.22971 197.0400 19.65131 197.5221 17.30954 198.0042 15.08698 198.4863 12.75250 198.9684 10.31018 199.4506 8.656555 199.9327 7.822906 200.4148 7.565948 200.8969 8.258789 201.3790 9.574738 201.8611 10.18048 202.3433 10.29761 202.8254 10.03500 203.3075 10.43542 203.7896 11.42783 204.2717 12.90576 204.7538 13.91614 205.2360 13.80301 205.7181 13.07993 206.2002 12.96494 206.6823 13.57144 207.1644 13.99219 207.6465 14.10065 208.1287 14.00082 208.6108 14.10309 209.0929 14.58884 209.5750 14.77277 210.0571 13.99197 210.5392 11.86108 211.0214 10.64310 211.5035 10.86688 211.9856 12.03043 212.4677 12.36047 212.9498 11.66156 213.4319 10.59085 213.9140 9.587097 214.3962 8.807159 214.8783 7.474518 215.3604 5.221313 215.8425 2.411377 216.3246 0.6619870 216.8067 0.2725830 217.2889 0.3197020 217.7710 0.3269350 218.2531 0.4174500 218.7352 2.1759000E-02 219.2173 1.221405 219.6994 3.010620 220.1816 3.769165 220.6637 3.073883 221.1458 2.127716 221.6279 1.690735 222.1100 1.943024 222.5921 2.252899 223.0743 2.699921 223.5564 3.173004 224.0385 3.103943 224.5206 2.190735 225.0027 1.201874 225.4848 0.5827330 225.9670 0.3715520 226.4491 0.4787290 226.9312 1.194031 227.4133 2.248535 227.8954 2.281128 228.3775 0.7391360 228.8597 1.021393 229.3418 2.142181 229.8239 2.291534 230.3060 2.579071 230.7881 3.247589 231.2702 4.132202 231.7524 4.355957 232.2345 3.441193 232.7166 2.529877 233.1987 2.298950 233.6808 2.959351 234.1629 3.841309 234.6451 5.103119 235.1272 6.571442 235.6093 7.496857 236.0914 7.695679 236.5735 7.607452 237.0556 7.409668 237.5378 6.863190 238.0199 6.765717 238.5020 7.345917 238.9841 8.418427 239.4662 9.202148 239.9483 9.559540 240.4305 9.824402 240.9126 10.15286 241.3947 10.61801 241.8768 10.95145 242.3589 10.97113 242.8410 10.85837 243.3232 11.31927 243.8053 12.74445 244.2874 14.19971 244.7695 15.22214 245.2516 15.75751 245.7337 15.93283 246.2159 15.44214 246.6980 14.62210 247.1801 14.66333 247.6622 16.17703 248.1443 17.61392 248.6264 18.17557 249.1086 17.40518 249.5907 16.85895 250.0728 16.60690 250.5549 16.58206 251.0370 16.67395 251.5191 17.17966 252.0013 17.34146 252.4834 16.72299 252.9655 14.87320 253.4476 13.46182 253.9297 12.56644 254.4118 12.08133 254.8940 11.80121 255.3761 11.91498 255.8582 11.89496 256.3403 11.48148 256.8224 10.52007 257.3046 9.679108 257.7867 9.034348 258.2688 8.462753 258.7509 7.677734 259.2330 6.484787 259.7151 5.484344 260.1973 4.966522 260.6794 5.095184 261.1615 4.995102 261.6436 4.549362 262.1257 3.987930 262.6078 3.761917 263.0900 4.100128 263.5721 4.246643 264.0542 3.833023 264.5363 2.700439 265.0184 2.104996 265.5005 2.226120 265.9827 2.665283 266.4648 2.843491 266.9469 2.681610 267.4290 2.478271 267.9111 2.209625 268.3932 1.838272 268.8754 2.157349 269.3575 3.478806 269.8396 4.998657 270.3217 5.620987 270.8038 5.131744 271.2859 4.544449 271.7681 4.090302 272.2502 3.767746 272.7323 3.541092 273.2144 3.375626 273.6965 3.387314 274.1786 3.760910 274.6608 4.580948 275.1429 5.315231 275.6250 5.747498 276.1071 5.957169 276.5892 6.633575 277.0714 7.904556 277.5535 9.022446 278.0356 9.253998 278.5177 8.593079 278.9998 8.136917 279.4819 8.059845 279.9641 8.283020 280.4462 8.688400 280.9283 9.299622 281.4104 9.946579 281.8925 10.59000 282.3746 11.28391 282.8568 11.84485 283.3389 12.18959 283.8210 12.37019 284.3031 12.56619 284.7852 12.75436 285.2673 12.87260 285.7495 12.95338 286.2316 13.09407 286.7137 13.30383 287.1958 13.52328 287.6779 13.74603 288.1600 13.88722 288.6422 13.94177 289.1243 14.16927 289.6064 14.85121 290.0885 15.93832 290.5706 16.83626 291.0527 17.42670 291.5349 17.84435 292.0170 18.35339 292.4991 18.94322 292.9812 19.24907 293.4633 18.76263 293.9454 17.78763 294.4276 17.35205 294.9097 17.55424 295.3918 18.07178 295.8739 18.82158 296.3560 19.73170 296.8381 20.20259 297.3203 19.32909 297.8024 17.93262 298.2845 18.08057 298.7666 20.01758 299.2487 21.83823 299.7308 20.84964 300.2130 18.05312 300.6951 16.40198 301.1772 18.18707 301.6593 21.22836 302.1414 22.24777 302.6235 21.27585 303.1057 19.95401 303.5878 19.54187 304.0699 19.75510 304.5520 20.11356 305.0341 20.72461 305.5162 21.17072 305.9984 20.91537 306.4805 20.03423 306.9626 19.01059 307.4447 18.18672 307.9268 17.41919 308.4089 16.49800 308.8911 15.17384 309.3732 13.98317 309.8553 13.59157 310.3374 13.76096 310.8195 13.66963 311.3016 12.53922 311.7838 11.10788 312.2659 10.02310 312.7480 9.481674 313.2301 9.140381 313.7122 8.938065 314.1943 8.778976 314.6765 8.470551 315.1586 7.680008 315.6407 6.888702 316.1228 6.443802 316.6049 6.485001 317.0870 6.481888 317.5692 6.038101 318.0513 5.447388 318.5334 5.124847 319.0155 5.631104 319.4976 6.068420 319.9797 5.917023 320.4619 5.076859 320.9440 4.489502 321.4261 4.661789 321.9082 5.121094 322.3903 5.420868 322.8724 5.233521 323.3546 5.106445 323.8367 5.234436 324.3188 5.607162 324.8009 5.881470 325.2830 5.778702 325.7651 5.701706 326.2473 5.913315 326.7294 6.667267 327.2115 7.455460 327.6936 8.330841 328.1757 9.242920 328.6578 9.953644 329.1400 10.11440 329.6221 10.37352 330.1042 11.01886 330.5863 12.33495 331.0684 13.57559 331.5505 14.69130 332.0327 15.73131 332.5148 16.82506 332.9969 18.24124 333.4790 19.32956 333.9611 19.80212 334.4432 19.45010 334.9254 19.30377 335.4075 19.52469 335.8896 19.80692 336.3717 19.67145 336.8538 18.88342 337.3359 18.26855 337.8180 18.24123 338.3001 18.78448 338.7823 18.36882 339.2644 16.67299 339.7465 14.68204 340.2286 13.42722 340.7107 13.07982 341.1928 12.52876 341.6750 11.50998 342.1571 10.16632 342.6392 9.175613 343.1213 8.601517 343.6034 8.001678 344.0855 6.936722 344.5677 5.444916 345.0498 4.243027 345.5319 3.519669 346.0140 2.971283 346.4961 1.807831 346.9782 7.2356999E-02 347.4604 1.256973 347.9425 1.248154 348.4246 0.3188780 348.9067 5.3619001E-02 349.3888 0.6220550 349.8709 1.423569 350.3531 1.768661 350.8352 1.738373 351.3173 1.630325 351.7994 1.738647 352.2815 1.797836 352.7636 1.189331 353.2458 8.3587997E-02 353.7279 1.259964 354.2100 1.753342 354.6921 1.699783 355.1742 1.293625 355.6563 0.2184600 356.1385 0.7926640 356.6206 1.032837 357.1027 0.5843200 357.5848 0.1475220 358.0669 1.297928 358.5490 2.430527 359.0312 3.060349 359.5133 2.868851 359.9954 2.695084 360.4775 3.234360 360.9596 4.148392 361.4417 4.713333 361.9239 4.048538 362.4060 3.414047 362.8881 3.573685 363.3702 4.743973 363.8523 5.996811 364.3344 7.014282 364.8166 7.958252 365.2987 9.023056 365.7808 10.27710 366.2629 11.61807 366.7450 12.96436 367.2271 14.30978 367.7093 15.89861 368.1914 18.11375 368.6735 20.40237 369.1556 22.39252 369.6377 23.35121 370.1198 24.70450 370.6020 26.63072 371.0841 29.04250 371.5662 31.58540 372.0483 34.35834 372.5304 37.10406 373.0125 39.71359 373.4947 42.10364 373.9768 44.58769 374.4589 47.12025 374.9410 49.73112 375.4231 52.45940 375.9052 55.26595 376.3874 58.42200 376.8695 61.98834 377.3516 66.00656 377.8337 70.40891 378.3158 75.37909 378.7979 80.20184 379.2801 83.93221 379.7622 86.56670 380.2443 89.87273 380.7264 94.27570 381.2085 99.44598 381.6906 104.6570 382.1728 109.8963 382.6549 115.2556 383.1370 121.0357 383.6191 127.0221 384.1012 132.1550 384.5833 136.3477 385.0655 139.7323 385.5476 142.6690 386.0297 145.0164 386.5118 146.1156 386.9939 145.3332 387.4760 143.2634 387.9582 140.7968 388.4403 137.9364 388.9224 134.3185 389.4045 129.5789 389.8866 123.9757 390.3687 117.7993 390.8509 111.0033 391.3330 103.9286 391.8151 96.10429 392.2972 87.96039 392.7793 81.06364 393.2614 76.75247 393.7436 73.63748 394.2257 70.64896 394.7078 67.52573 395.1899 64.79454 395.6720 62.89458 396.1541 61.44868 396.6363 59.85950 397.1184 57.62439 397.6005 55.55748 398.0826 53.94260 398.5647 52.82443 399.0468 51.87985 399.5290 51.25554 400.0111 50.69724 400.4932 50.00278 400.9753 49.21014 401.4574 48.21161 401.9395 46.79071 402.4217 45.19238 402.9038 44.24496 403.3859 44.19977 403.8680 44.28851 404.3501 44.25621 404.8322 44.22151 405.3144 43.59613 405.7965 42.36157 406.2786 40.90625 406.7607 39.54095 407.2428 38.16202 407.7249 36.89832 408.2071 35.97302 408.6892 35.32274 409.1713 34.42003 409.6534 33.24619 410.1355 31.82474 410.6176 29.98701 411.0998 27.87981 411.5819 26.28297 412.0640 25.47784 412.5461 25.04222 413.0282 24.32231 413.5103 23.34875 413.9925 22.24458 414.4746 21.03008 414.9567 19.83272 415.4388 18.86484 415.9209 18.13200 416.4030 17.33386 416.8852 15.98238 417.3673 14.42598 417.8494 13.22636 418.3315 13.25371 418.8136 13.16032 419.2957 11.83092 419.7779 9.468781 420.2600 7.328613 420.7421 5.974991 421.2242 5.079819 421.7063 4.483734 422.1884 4.339249 422.6706 4.115433 423.1527 3.531082 423.6348 2.795578 424.1169 2.298660 424.5990 2.542206 425.0811 2.595200 425.5633 1.989304 426.0454 0.5364070 426.5275 0.2543640 427.0096 5.4001000E-02 427.4917 0.6641850 427.9738 0.9217680 428.4560 0.6674190 428.9381 0.3883820 429.4202 0.1502380 429.9023 7.5820997E-02 430.3844 0.4579320 430.8665 1.095856 431.3487 1.596863 431.8308 1.682144 432.3129 1.321091 432.7950 1.171127 433.2771 1.281113 433.7592 1.483917 434.2414 1.676041 434.7235 1.832474 435.2056 1.610992 435.6877 0.6228490 436.1698 0.6178440 436.6519 0.8632350 437.1341 0.1641540 437.6162 0.5496220 438.0983 0.6894380 438.5804 0.3629610 439.0625 0.3771060 439.5446 1.691360 440.0268 2.841095 440.5089 2.941620 440.9910 2.397125 441.4731 2.036133 441.9552 2.224884 442.4373 2.716385 442.9195 3.594513 443.4016 4.826050 443.8837 5.569397 444.3658 5.041367 444.8479 4.122742 445.3300 3.494400 445.8122 3.085724 446.2943 3.229462 446.7764 4.585205 447.2585 6.554047 447.7406 7.602966 448.2227 7.081024 448.7049 6.157425 449.1870 4.926025 449.6691 3.182098 450.1512 2.534286 450.6333 3.729843 451.1154 5.225113 451.5976 5.411270 452.0797 3.726257 452.5618 2.574356 453.0439 2.518311 453.5260 3.163284 454.0081 3.218292 454.4903 2.591370 454.9724 1.978500 455.4545 1.839554 455.9366 2.092438 456.4187 2.112915 456.9008 1.850342 457.3830 1.518860 457.8651 1.523331 458.3472 1.694321 458.8293 1.433884 459.3114 0.1416780 459.7935 1.264999 460.2757 1.537231 460.7578 0.8417360 461.2399 3.1631000E-02 461.7220 0.7965090 462.2041 1.255371 462.6862 0.7147370 463.1684 1.216858 463.6505 2.747421 464.1326 2.662552 464.6147 1.709579 465.0968 0.8475800 465.5789 0.4880520 466.0611 0.1409000 466.5432 0.4363710 467.0253 1.204697 467.5074 1.704300 467.9895 1.539734 468.4716 1.374847 468.9538 1.559296 469.4359 2.415314 469.9180 2.874710 470.4001 2.642502 470.8822 2.217743 471.3643 2.430374 471.8465 3.572296 472.3286 4.480301 472.8107 4.759399 473.2928 4.543716 473.7749 4.666061 474.2570 5.170349 474.7392 5.774994 475.2213 6.138275 475.7034 6.353012 476.1855 7.141510 476.6676 8.681183 477.1497 10.46475 477.6319 11.82039 478.1140 12.84402 478.5961 13.81851 479.0782 14.81715 479.5603 15.86670 480.0424 17.06656 480.5246 18.39290 481.0067 19.60960 481.4888 20.51537 481.9709 21.27168 482.4530 21.95207 482.9352 22.38034 483.4173 23.19130 483.8994 24.87720 484.3815 27.01132 484.8636 28.99504 485.3457 31.12039 485.8279 32.62463 486.3100 33.10095 486.7921 32.53699 487.2742 32.00098 487.7563 31.30656 488.2384 30.81929 488.7206 30.86729 489.2027 32.02812 489.6848 32.18770 490.1669 31.08673 490.6490 29.28029 491.1311 27.62007 491.6133 26.15726 492.0954 24.51534 492.5775 22.47754 493.0596 20.22295 493.5417 18.40916 494.0238 17.05516 494.5060 15.72900 494.9881 13.89098 495.4702 11.83453 495.9523 10.41219 496.4344 9.865646 496.9165 9.542709 497.3987 8.669052 497.8808 7.504303 498.3629 6.593781 498.8450 6.555847 499.3271 6.513550 499.8092 5.738251 500.2914 4.379471 500.7735 3.319458 501.2556 3.157898 501.7377 3.191940 502.2198 2.972595 502.7019 2.260162 503.1841 1.785507 503.6662 2.012970 504.1483 2.373291 504.6304 2.157455 505.1125 0.6264190 505.5946 0.2537380 506.0768 0.1192630 506.5589 1.405380 507.0410 1.847534 507.5231 1.224411 508.0052 0.3626100 508.4873 0.5461730 508.9695 1.496933 509.4516 1.364868 509.9337 4.9805000E-02 510.4158 1.699402 510.8979 2.401794 511.3800 2.303284 511.8622 1.960892 512.3443 1.342453 512.8264 0.8112950 513.3085 0.9142610 513.7906 1.539139 514.2728 2.275497 514.7549 3.181442 515.2370 3.912109 515.7191 4.046021 516.2012 3.523026 516.6833 3.094955 517.1655 2.861343 517.6476 2.926712 518.1297 3.511795 518.6118 5.265656 519.0939 6.910767 519.5760 8.636307 520.0582 10.03909 520.5403 10.20638 521.0224 7.886826 521.5045 5.888412 521.9866 5.147781 522.4688 5.717636 522.9509 6.337234 523.4330 6.958954 523.9151 7.617737 524.3972 8.300217 524.8793 8.995132 525.3615 9.906448 525.8436 11.07919 526.3257 12.39914 526.8078 13.93579 527.2899 15.55542 527.7720 16.54059 528.2542 16.12291 528.7363 15.28114 529.2184 15.49490 529.7005 16.56844 530.1826 17.44106 530.6647 17.09683 531.1469 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