#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:28:15 +0300 (Thu, 26 Apr 2018) $ #$Revision: 471 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000033.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_1000033 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 R060045 _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 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 R060045.rod _rod_data_source.block 3500000 _rod_database.code 1000033 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 143.1459 0.0000000E+00 143.6280 0.4958190 144.1102 0.5963440 144.5923 0.1468200 145.0744 9.3291998E-02 145.5565 0.1214290 146.0386 0.6431880 146.5207 1.063446 147.0029 1.376160 147.4850 1.554230 147.9671 1.447937 148.4492 1.203430 148.9313 1.134521 149.4134 1.497375 149.8955 2.302002 150.3777 3.165436 150.8598 4.244110 151.3419 5.244873 151.8240 6.022247 152.3061 6.612274 152.7882 7.154938 153.2704 7.787628 153.7525 8.503723 154.2346 9.355713 154.7167 10.39627 155.1988 11.51245 155.6809 12.79874 156.1631 14.20020 156.6452 15.41232 157.1273 16.02917 157.6094 15.82028 158.0915 15.35876 158.5736 14.40671 159.0558 13.32471 159.5379 12.47467 160.0200 11.96817 160.5021 11.62836 160.9842 11.16492 161.4663 10.56702 161.9485 9.918610 162.4306 9.141602 162.9127 8.332672 163.3948 7.633026 163.8769 7.040192 164.3590 6.680634 164.8412 6.763763 165.3233 7.330078 165.8054 8.017761 166.2875 8.751221 166.7696 9.298035 167.2517 9.771118 167.7339 10.22495 168.2160 10.81189 168.6981 11.10052 169.1802 11.28983 169.6623 11.49728 170.1444 11.71567 170.6266 11.88821 171.1087 12.42276 171.5908 13.90045 172.0729 15.53345 172.5550 16.73032 173.0371 17.30441 173.5193 17.65067 174.0014 18.49435 174.4835 20.21661 174.9656 21.60391 175.4477 22.68094 175.9298 23.30719 176.4120 23.33112 176.8941 22.68829 177.3762 21.46628 177.8583 19.89963 178.3404 17.71179 178.8225 15.49875 179.3047 13.20370 179.7868 10.94427 180.2689 8.772797 180.7510 6.720337 181.2331 4.842712 181.7152 3.460175 182.1974 2.879669 182.6795 2.431000 183.1616 2.041290 183.6437 1.706207 184.1258 1.433167 184.6079 1.229065 185.0900 1.086761 185.5722 0.9772640 186.0543 0.9652710 186.5364 0.9092100 187.0185 0.7286680 187.5006 0.4545590 187.9827 0.1594850 188.4649 0.1558230 188.9470 0.4304200 189.4291 0.4616700 189.9112 3.2410000E-02 190.3933 0.5105900 190.8754 0.6036070 191.3576 0.3328250 191.8397 4.6936002E-02 192.3218 0.5491030 192.8039 0.9960330 193.2860 1.015198 193.7681 0.2890320 194.2503 0.6393430 194.7324 1.159729 195.2145 1.210327 195.6966 1.281464 196.1787 1.796234 196.6608 2.462646 197.1430 2.915436 197.6251 2.939392 198.1072 2.805634 198.5893 3.022156 199.0714 3.770142 199.5535 4.397034 200.0357 4.477158 200.5178 4.365067 200.9999 4.467590 201.4820 5.150177 201.9641 6.206589 202.4462 7.045090 202.9284 7.560028 203.4105 8.011322 203.8926 8.455109 204.3747 8.890717 204.8568 9.321136 205.3389 9.744217 205.8211 10.11522 206.3032 10.59784 206.7853 11.24409 207.2674 11.98820 207.7495 12.94469 208.2316 13.99060 208.7138 14.95146 209.1959 15.71155 209.6780 16.27040 210.1601 16.82520 210.6422 17.52525 211.1243 18.13980 211.6065 18.46823 212.0886 18.67882 212.5707 19.07631 213.0528 19.87665 213.5349 21.01941 214.0170 21.93915 214.4992 22.53978 214.9813 23.02489 215.4634 23.34088 215.9455 23.59680 216.4276 24.05156 216.9097 24.85657 217.3919 25.90778 217.8740 26.72687 218.3561 27.15598 218.8382 27.58069 219.3203 28.25685 219.8024 29.04970 220.2845 29.66058 220.7667 29.93219 221.2488 29.84241 221.7309 29.42056 222.2130 28.45880 222.6951 27.41422 223.1772 26.44011 223.6594 25.54784 224.1415 24.80495 224.6236 24.32628 225.1057 23.99062 225.5878 23.39769 226.0699 22.35721 226.5521 21.27487 227.0342 20.45932 227.5163 19.87921 227.9984 19.22958 228.4805 18.32458 228.9626 17.25345 229.4448 16.16949 229.9269 14.93205 230.4090 13.91974 230.8911 13.61063 231.3732 14.01122 231.8553 14.30254 232.3375 14.20744 232.8196 13.74075 233.3017 12.84889 233.7838 11.37567 234.2659 9.855255 234.7480 8.856995 235.2302 8.418182 235.7123 8.147079 236.1944 8.033081 236.6765 7.966736 237.1586 7.889999 237.6407 7.806503 238.1229 7.626892 238.6050 7.174957 239.0871 6.378143 239.5692 5.712662 240.0513 5.346069 240.5334 5.136948 241.0156 5.022430 241.4977 4.988876 241.9798 5.005005 242.4619 5.049423 242.9440 5.142838 243.4261 5.179016 243.9083 5.009018 244.3904 4.862778 244.8725 4.919067 245.3546 5.202240 245.8367 5.560669 246.3188 5.816940 246.8010 5.996948 247.2831 5.947464 247.7652 5.416626 248.2473 4.864502 248.7294 4.619781 249.2115 4.714371 249.6937 4.917526 250.1758 4.924789 250.6579 4.731186 251.1400 4.370926 251.6221 3.717224 252.1042 3.070114 252.5864 2.582413 253.0685 2.277023 253.5506 2.105865 254.0327 2.050842 254.5148 2.248352 254.9969 2.104904 255.4790 1.322800 255.9612 0.5060270 256.4433 0.1034390 256.9254 0.4431760 257.4075 0.5106350 257.8896 0.2783660 258.3718 0.3185270 258.8539 0.9427190 259.3360 1.856049 259.8181 2.569839 260.3002 2.831787 260.7823 2.649521 261.2645 2.135315 261.7466 1.319748 262.2287 8.0825999E-02 262.7108 0.4837950 263.1929 0.1929630 263.6750 0.8611300 264.1572 0.9012450 264.6393 0.3874970 265.1214 0.2483830 265.6035 0.6894230 266.0856 0.9316860 266.5677 0.9691010 267.0499 0.5339510 267.5320 0.2028200 268.0141 0.3136440 268.4962 0.7529600 268.9783 1.168503 269.4604 1.327087 269.9426 1.242889 270.4247 1.094452 270.9068 0.8852230 271.3889 0.6255340 271.8710 0.1929020 272.3531 0.2977290 272.8352 0.5279850 273.3174 0.2581790 273.7995 0.3563080 274.2816 0.5387570 274.7637 0.1277470 275.2458 0.6521760 275.7279 0.5646510 276.2101 0.1238100 276.6922 0.1274110 277.1743 6.6359997E-02 277.6564 0.5838780 278.1385 1.147430 278.6206 1.999496 279.1028 2.480118 279.5849 2.120712 280.0670 1.306595 280.5491 0.7010650 281.0312 0.5413970 281.5133 0.6908110 281.9955 0.9405360 282.4776 1.321960 282.9597 1.665329 283.4418 1.995438 283.9239 2.246948 284.4060 2.290359 284.8882 2.073563 285.3703 1.733795 285.8524 1.414734 286.3345 1.091797 286.8166 0.9332730 287.2987 1.086548 287.7809 1.379944 288.2630 1.585953 288.7451 1.658508 289.2272 1.714294 289.7093 1.923706 290.1914 2.273010 290.6736 2.454269 291.1557 2.250153 291.6378 1.950592 292.1199 1.904846 292.6020 2.154846 293.0841 2.420090 293.5663 2.478683 294.0484 2.354813 294.5305 2.204987 295.0126 1.888901 295.4947 1.658478 295.9768 1.822098 296.4590 2.367081 296.9411 2.873917 297.4232 3.052094 297.9053 2.992935 298.3874 3.029556 298.8695 3.294846 299.3517 3.517197 299.8338 3.403992 300.3159 3.016068 300.7980 2.802612 301.2801 3.080750 301.7622 3.572952 302.2444 3.721313 302.7265 3.462067 303.2086 3.032211 303.6907 2.367737 304.1728 1.595795 304.6549 1.240524 305.1371 1.611267 305.6192 2.274628 306.1013 2.596359 306.5834 2.564194 307.0655 2.439926 307.5476 2.261169 308.0298 2.075577 308.5119 2.024933 308.9940 2.189377 309.4761 2.363724 309.9582 2.266861 310.4403 1.939224 310.9225 1.661270 311.4046 1.468842 311.8867 1.394730 312.3688 1.586639 312.8509 2.127060 313.3330 2.560715 313.8152 2.336884 314.2973 1.631287 314.7794 1.086243 315.2615 0.9008030 315.7436 0.9341740 316.2257 1.091232 316.7079 1.350189 317.1900 1.549713 317.6721 1.536682 318.1542 1.409775 318.6363 1.412643 319.1184 1.629257 319.6006 1.899231 320.0827 2.118484 320.5648 2.263794 321.0469 2.373367 321.5290 2.389938 322.0111 2.321167 322.4933 2.178345 322.9754 1.869644 323.4575 1.654297 323.9396 1.778763 324.4217 2.142151 324.9038 2.426819 325.3860 2.523880 325.8681 2.485489 326.3502 2.377655 326.8323 2.201019 327.3144 2.019714 327.7965 1.877792 328.2787 1.757843 328.7608 0.7776180 329.2429 1.791992 329.7250 2.395157 330.2071 2.605423 330.6892 1.157166 331.1714 1.851334 331.6535 1.656326 332.1356 1.415726 332.6177 2.412048 333.0998 1.208359 333.5819 2.190018 334.0641 2.297211 334.5462 2.792068 335.0283 2.434464 335.5104 2.347443 335.9925 3.125336 336.4746 3.424622 336.9568 2.971725 337.4389 3.508621 337.9210 2.277878 338.4031 2.598648 338.8852 3.588913 339.3673 3.180740 339.8495 3.734573 340.3316 3.922195 340.8137 2.445511 341.2958 3.863800 341.7779 4.030380 342.2600 2.911667 342.7421 4.231461 343.2242 3.290573 343.7064 3.157043 344.1885 3.631134 344.6706 3.472336 345.1527 4.311951 345.6348 4.190292 346.1169 3.982895 346.5991 4.150803 347.0812 5.095413 347.5633 5.701035 348.0454 5.266876 348.5275 4.748245 349.0096 4.902435 349.4918 5.605240 349.9739 6.102432 350.4560 5.824356 350.9381 5.031998 351.4202 5.033127 351.9023 6.571457 352.3845 7.901825 352.8666 8.441177 353.3487 8.420364 353.8308 8.191254 354.3129 7.867249 354.7950 7.531662 355.2772 7.353088 355.7593 7.393005 356.2414 7.458466 356.7235 7.485229 357.2056 7.558395 357.6877 7.788483 358.1699 8.186783 358.6520 8.647598 359.1341 9.070023 359.6162 9.460266 360.0983 9.748245 360.5804 9.753815 361.0626 9.831055 361.5447 10.24162 362.0268 10.91272 362.5089 11.56923 362.9910 12.01976 363.4731 12.28648 363.9553 12.55995 364.4374 12.83391 364.9195 13.12149 365.4016 13.33936 365.8837 13.59682 366.3658 14.12271 366.8480 15.01060 367.3301 16.00603 367.8122 16.55894 368.2943 16.47589 368.7764 16.19225 369.2585 15.40331 369.7407 14.63708 370.2228 14.35478 370.7049 14.58122 371.1870 14.97215 371.6691 15.17662 372.1512 15.20314 372.6334 14.98064 373.1155 14.34436 373.5976 13.64180 374.0797 12.88400 374.5618 12.16200 375.0439 11.59824 375.5261 11.26277 376.0082 11.16672 376.4903 11.40199 376.9724 12.51717 377.4545 13.16505 377.9366 12.84656 378.4188 12.13116 378.9009 11.56235 379.3830 11.33028 379.8651 11.32890 380.3472 11.41714 380.8293 11.62177 381.3115 11.82829 381.7936 11.88046 382.2757 12.05128 382.7578 12.59042 383.2399 13.43703 383.7220 14.25301 384.2042 14.71046 384.6863 14.84233 385.1684 15.12773 385.6505 15.60553 386.1326 16.20250 386.6147 17.14528 387.0969 18.14268 387.5790 18.58633 388.0611 18.03659 388.5432 17.15715 389.0253 17.32021 389.5074 18.84276 389.9896 20.03484 390.4717 20.31105 390.9538 19.98265 391.4359 19.05527 391.9180 17.49953 392.4001 16.10345 392.8823 15.73247 393.3644 16.21379 393.8465 16.24713 394.3286 15.52406 394.8107 14.51160 395.2928 13.54018 395.7750 12.60565 396.2571 11.70369 396.7392 10.77733 397.2213 9.898666 397.7034 9.199295 398.1855 8.695160 398.6677 8.282074 399.1498 7.899307 399.6319 7.577667 400.1140 7.387680 400.5961 7.441864 401.0782 7.485870 401.5604 7.246445 402.0425 6.845749 402.5246 6.683594 403.0067 6.994629 403.4888 7.358215 403.9709 7.088501 404.4531 6.065857 404.9352 5.468597 405.4173 6.044678 405.8994 6.844879 406.3815 6.842834 406.8636 6.016907 407.3458 5.250534 407.8279 5.264420 408.3100 6.014709 408.7921 6.642105 409.2742 7.173584 409.7563 7.572525 410.2385 7.822006 410.7206 7.926514 411.2027 7.899841 411.6848 7.748154 412.1669 7.467331 412.6490 7.035095 413.1311 6.248459 413.6133 5.666885 414.0954 5.321518 414.5775 5.148392 415.0596 5.205566 415.5417 5.432785 416.0238 5.604095 416.5060 5.501556 416.9881 5.119583 417.4702 4.728790 417.9523 4.371704 418.4344 3.949646 418.9165 3.283569 419.3987 2.594574 419.8808 2.238968 420.3629 2.391144 420.8450 2.767700 421.3271 2.734283 421.8092 2.067932 422.2914 1.554520 422.7735 1.305344 423.2556 1.203171 423.7377 1.299408 424.2198 1.539688 424.7019 1.692307 425.1841 1.490189 425.6662 0.9772190 426.1483 0.6217650 426.6304 0.4278560 427.1125 0.4050900 427.5946 0.7323000 428.0768 1.168854 428.5589 1.310898 429.0410 0.7705540 429.5231 1.302368 430.0052 1.614685 430.4873 1.719177 430.9695 0.9935610 431.4516 1.339874 431.9337 1.256699 432.4158 1.155853 432.8979 1.653152 433.3800 1.048431 433.8622 1.536240 434.3443 1.587967 434.8264 1.839294 435.3085 1.658447 435.7906 1.610992 436.2727 1.996979 436.7549 2.142975 437.2370 1.912338 437.7191 2.176422 438.2012 1.556610 438.6833 1.235275 439.1654 1.008041 439.6476 0.8874970 440.1297 0.9159550 440.6118 0.9960780 441.0939 0.9508970 441.5760 0.6992030 442.0581 0.5486910 442.5403 0.6926570 443.0224 0.8114780 443.5045 0.5443730 443.9866 3.5370000E-02 444.4687 0.4586490 444.9508 0.3084720 445.4330 0.3267060 445.9151 0.4411620 446.3972 0.6717380 446.8793 1.469315 447.3614 1.558502 447.8435 1.284821 448.3257 1.042603 448.8078 0.9578550 449.2899 0.9032900 449.7720 0.6435550 450.2541 3.3629999E-02 450.7362 0.2742000 451.2184 5.9326001E-02 451.7005 0.3842770 452.1826 0.4136050 452.6647 0.2223820 453.1468 4.7653001E-02 453.6289 5.5130001E-02 454.1111 0.1450650 454.5932 3.6929999E-03 455.0753 0.4876860 455.5574 0.8519740 456.0395 0.9006960 456.5216 0.7668460 457.0038 0.4777220 457.4859 3.3752002E-02 457.9680 0.3527830 458.4501 0.5812230 458.9322 0.2112270 459.4143 1.1993000E-02 459.8965 9.6588001E-02 460.3786 0.3724520 460.8607 0.1271360 461.3428 0.1684270 461.8249 0.2217100 462.3070 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