#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:22:29 +0300 (Thu, 24 May 2018) $ #$Revision: 687 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000204.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_1000204 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 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 R060045.rod _rod_data_source.block 3500000 _rod_database.code 1000204 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 149.6404 0.0000000E+00 150.1225 0.5787350 150.6046 0.4008790 151.0867 5.0292999E-02 151.5688 0.2738040 152.0509 0.6229250 152.5331 3.193359 153.0152 6.982178 153.4973 10.62732 153.9794 12.83704 154.4615 15.63684 154.9436 19.91760 155.4258 27.85205 155.9079 34.68420 156.3900 40.30676 156.8721 44.56091 157.3542 46.95105 157.8363 46.71753 158.3185 44.98474 158.8006 42.42456 159.2827 38.59204 159.7648 34.57288 160.2469 30.35352 160.7290 26.06799 161.2112 22.53845 161.6933 19.94873 162.1754 18.21509 162.6575 17.23035 163.1396 17.83179 163.6217 18.43970 164.1039 18.04321 164.5860 16.66833 165.0681 16.07495 165.5502 17.90088 166.0323 20.66785 166.5145 22.72180 166.9966 22.58997 167.4787 22.20361 167.9608 22.48633 168.4429 23.46729 168.9250 25.40466 169.4071 29.49524 169.8893 34.51575 170.3714 38.56702 170.8535 39.91968 171.3356 40.67334 171.8177 43.40881 172.2998 46.80237 172.7820 50.91846 173.2641 56.68384 173.7462 63.52539 174.2283 69.68311 174.7104 73.82666 175.1925 77.72144 175.6747 83.95007 176.1568 93.55127 176.6389 102.0729 177.1210 105.4493 177.6031 104.2209 178.0852 100.2168 178.5674 93.47327 179.0495 84.87073 179.5316 75.29749 180.0137 64.38208 180.4958 53.88440 180.9779 45.79956 181.4601 39.88037 181.9422 35.01721 182.4243 30.90283 182.9064 27.32056 183.3885 23.57898 183.8706 19.27673 184.3528 15.36169 184.8349 13.57812 185.3170 13.73743 185.7991 14.01196 186.2812 12.94324 186.7633 10.87158 187.2455 9.013062 187.7276 7.487793 188.2097 6.315308 188.6918 5.546143 189.1739 5.175659 189.6560 5.139160 190.1382 5.641479 190.6203 6.569214 191.1024 7.275269 191.5845 7.900391 192.0666 8.058105 192.5487 6.282104 193.0309 2.426392 193.5130 1.235840 193.9951 2.578613 194.4772 1.699829 194.9593 0.9614260 195.4414 0.8067630 195.9236 1.096558 196.4057 1.574463 196.8878 2.332031 197.3699 2.837036 197.8520 2.600464 198.3341 1.609009 198.8163 0.3880620 199.2984 0.8763430 199.7805 2.271729 200.2626 4.560791 200.7447 8.023560 201.2268 11.20996 201.7090 12.45447 202.1911 11.55310 202.6732 10.67017 203.1553 10.20642 203.6374 10.16638 204.1195 10.63464 204.6017 11.73499 205.0838 13.04688 205.5659 13.93005 206.0480 14.14966 206.5301 15.43774 207.0122 18.80103 207.4944 23.94897 207.9765 26.42346 208.4586 25.35400 208.9407 23.39783 209.4228 23.44080 209.9049 26.06812 210.3871 28.70520 210.8692 30.27612 211.3513 30.73853 211.8334 33.15149 212.3155 38.68457 212.7976 44.62500 213.2798 47.50208 213.7619 45.99255 214.2440 45.06750 214.7261 45.87085 215.2082 48.46252 215.6903 52.49597 216.1725 58.36670 216.6546 65.04480 217.1367 71.69360 217.6188 78.99951 218.1009 84.47083 218.5830 86.83984 219.0651 85.70459 219.5473 86.81311 220.0294 91.34802 220.5115 96.72754 220.9936 99.90283 221.4757 100.1370 221.9578 99.94019 222.4400 100.1897 222.9221 101.1187 223.4042 99.38892 223.8863 93.82629 224.3684 86.87964 224.8505 81.33972 225.3327 77.98181 225.8148 74.46338 226.2969 69.90344 226.7790 64.00891 227.2611 60.39282 227.7432 60.12427 228.2254 61.05103 228.7075 60.50549 229.1896 57.15918 229.6717 55.10498 230.1538 56.05261 230.6359 60.55652 231.1181 61.84399 231.6002 58.65283 232.0823 53.43494 232.5644 48.86926 233.0465 45.11792 233.5286 41.57471 234.0108 37.99109 234.4929 34.25867 234.9750 31.32446 235.4571 29.51550 235.9392 28.19189 236.4213 26.66968 236.9035 24.78564 237.3856 23.01892 237.8677 21.45837 238.3498 20.10815 238.8319 18.97998 239.3140 17.96692 239.7962 17.29822 240.2783 17.38757 240.7604 19.16809 241.2425 19.89062 241.7246 18.43250 242.2067 14.56250 242.6889 12.86560 243.1710 14.63574 243.6531 17.32019 244.1352 18.34656 244.6173 16.73035 245.0994 15.26489 245.5816 14.29993 246.0637 13.81995 246.5458 14.36792 247.0279 16.43469 247.5100 19.04065 247.9921 21.40833 248.4743 24.12708 248.9564 25.43921 249.4385 24.54041 249.9206 21.50671 250.4027 19.77014 250.8848 19.92871 251.3670 20.50830 251.8491 20.48767 252.3312 20.04321 252.8133 19.05212 253.2954 17.28491 253.7775 14.77014 254.2597 12.35938 254.7418 9.677734 255.2239 7.506836 255.7060 6.628052 256.1881 7.735840 256.6702 8.655396 257.1523 9.245361 257.6345 9.417114 258.1166 8.429199 258.5987 5.318848 259.0808 2.412842 259.5629 1.648315 260.0450 4.029297 260.5272 5.845215 261.0093 6.651001 261.4914 6.548462 261.9735 5.871582 262.4556 4.312866 262.9377 2.733887 263.4199 1.758545 263.9020 1.592529 264.3841 1.396240 264.8662 1.115479 265.3483 0.7608640 265.8304 0.4508060 266.3126 0.3687740 266.7947 2.2949001E-02 267.2768 1.361328 267.7589 4.259521 268.2410 5.547363 268.7231 4.394531 269.2053 1.796753 269.6874 0.8663330 270.1695 2.237305 270.6516 3.543091 271.1337 3.345215 271.6158 1.263550 272.0980 0.3107910 272.5801 1.143311 273.0622 1.488281 273.5443 2.043701 274.0264 2.973511 274.5085 3.340576 274.9907 2.116211 275.4728 1.122681 275.9549 2.221924 276.4370 0.3636470 276.9191 2.643066 277.4012 3.269043 277.8834 1.112427 278.3655 1.081299 278.8476 2.313354 279.3297 2.564819 279.8118 1.234741 280.2939 2.320435 280.7761 6.209229 281.2582 6.979492 281.7403 4.307373 282.2224 2.504761 282.7045 3.889893 283.1866 8.073608 283.6688 10.31177 284.1509 10.31482 284.6330 9.217407 285.1151 8.195435 285.5972 7.229370 286.0793 6.401855 286.5615 5.526978 287.0436 4.764893 287.5257 5.102539 288.0078 6.662842 288.4899 8.624878 288.9720 10.67981 289.4542 12.70654 289.9363 13.30115 290.4184 11.47375 290.9005 8.194092 291.3826 6.030396 291.8647 5.005615 292.3469 4.815796 292.8290 5.535645 293.3111 6.963623 293.7932 8.242554 294.2753 9.174316 294.7574 9.843140 295.2396 10.61084 295.7217 11.44568 296.2038 11.59924 296.6859 9.828003 297.1680 6.887695 297.6501 4.840454 298.1323 4.171143 298.6144 4.393677 299.0965 5.166504 299.5786 6.406250 300.0607 7.403076 300.5428 7.622803 301.0250 7.334717 301.5071 6.989624 301.9892 6.576538 302.4713 6.300659 302.9534 6.431641 303.4355 6.883789 303.9177 7.459106 304.3998 8.361572 304.8819 9.152100 305.3640 9.186523 305.8461 8.369141 306.3282 7.062866 306.8104 5.107788 307.2925 2.912964 307.7746 1.345947 308.2567 1.353271 308.7388 1.891846 309.2209 2.091553 309.7031 1.918701 310.1852 1.534058 310.6673 0.6531980 311.1494 0.2686770 311.6315 0.5974120 312.1136 0.6607670 312.5958 2.009277 313.0779 2.184448 313.5600 1.264893 314.0421 0.6706540 314.5242 1.707275 315.0063 3.174438 315.4885 3.863892 315.9706 2.707520 316.4527 1.387451 316.9348 0.1894530 317.4169 0.7000730 317.8990 0.4085690 318.3812 2.986206 318.8633 6.769165 319.3454 9.017334 319.8275 8.888916 320.3096 7.965820 320.7917 6.125732 321.2739 3.862183 321.7560 2.366699 322.2381 2.723633 322.7202 3.387695 323.2023 3.587158 323.6844 2.906128 324.1666 2.579590 324.6487 2.629272 325.1308 3.114136 325.6129 4.111206 326.0950 7.456177 326.5771 9.882324 327.0593 9.754028 327.5414 5.695068 328.0235 3.865601 328.5056 6.608887 328.9877 10.95105 329.4698 13.77417 329.9520 14.05212 330.4341 13.86865 330.9162 13.40955 331.3983 12.66711 331.8804 12.13708 332.3625 12.03357 332.8447 11.99866 333.3268 11.66687 333.8089 10.59912 334.2910 10.27209 334.7731 11.03735 335.2552 12.64905 335.7374 13.87427 336.2195 14.89709 336.7016 15.13342 337.1837 13.81726 337.6658 9.813721 338.1479 8.582153 338.6301 11.33191 339.1122 16.19324 339.5943 18.82202 340.0764 18.69250 340.5585 17.90759 341.0406 17.03601 341.5227 15.97937 342.0049 16.42285 342.4870 18.86731 342.9691 21.79089 343.4512 22.82056 343.9333 21.85938 344.4154 20.80273 344.8976 20.50562 345.3797 20.69019 345.8618 19.79919 346.3439 17.72510 346.8260 15.35986 347.3081 13.31152 347.7903 11.64636 348.2724 10.76831 348.7545 10.97888 349.2366 11.85376 349.7187 12.71533 350.2008 13.56848 350.6830 14.16467 351.1651 14.16895 351.6472 13.79688 352.1293 13.47559 352.6114 13.19092 353.0935 13.18286 353.5757 14.11035 354.0578 15.65955 354.5399 16.76721 355.0220 16.24390 355.5041 15.20923 355.9862 14.91125 356.4684 15.44299 356.9505 16.79504 357.4326 19.49878 357.9147 22.92615 358.3968 26.05298 358.8789 29.25342 359.3611 31.42737 359.8432 30.83289 360.3253 27.63391 360.8074 25.77161 361.2895 28.84180 361.7716 33.43274 362.2538 36.37292 362.7359 34.49390 363.2180 33.39331 363.7001 36.10327 364.1822 41.56079 364.6643 45.71228 365.1465 45.57153 365.6286 45.21423 366.1107 47.12952 366.5928 53.86658 367.0749 58.53906 367.5570 58.75000 368.0392 56.49341 368.5213 55.19861 369.0034 56.63452 369.4855 57.63428 369.9676 57.19275 370.4497 54.96777 370.9319 52.78113 371.4140 50.31897 371.8961 47.99927 372.3782 46.27100 372.8603 45.46826 373.3424 44.63782 373.8246 43.85193 374.3067 43.00647 374.7888 41.00024 375.2709 36.97949 375.7530 33.26160 376.2351 31.62769 376.7173 32.85938 377.1994 33.04236 377.6815 31.58069 378.1636 29.34644 378.6457 28.17456 379.1278 28.12000 379.6100 28.96997 380.0921 31.58850 380.5742 35.79626 381.0563 36.26550 381.5384 32.08228 382.0205 27.54053 382.5027 28.54517 382.9848 34.55554 383.4669 40.70215 383.9490 45.54333 384.4311 49.17932 384.9132 51.99219 385.3954 53.99756 385.8775 55.67090 386.3596 56.98352 386.8417 58.24341 387.3238 60.31213 387.8059 63.40967 388.2881 66.74158 388.7702 69.28076 389.2523 71.22632 389.7344 73.40540 390.2165 76.25818 390.6986 78.96143 391.1808 80.94189 391.6629 82.21143 392.1450 82.37000 392.6271 80.40894 393.1092 77.40417 393.5913 74.78442 394.0735 74.58911 394.5556 73.55029 395.0377 69.98059 395.5198 64.02942 396.0019 57.48169 396.4840 48.59326 396.9662 40.75024 397.4483 36.25720 397.9304 38.73450 398.4125 40.10266 398.8946 38.41821 399.3767 34.76270 399.8589 31.82141 400.3410 29.71655 400.8231 28.66223 401.3052 28.76990 401.7873 30.60083 402.2694 31.20459 402.7516 30.02734 403.2337 28.01550 403.7158 26.12000 404.1979 23.95337 404.6800 22.75281 405.1621 22.95312 405.6443 24.38477 406.1264 25.71069 406.6085 26.91858 407.0906 28.14148 407.5727 29.44189 408.0548 30.75464 408.5370 33.01270 409.0191 36.54395 409.5012 40.09680 409.9833 41.11340 410.4654 39.68176 410.9475 38.15808 411.4297 38.15698 411.9118 38.99365 412.3939 37.63269 412.8760 33.82581 413.3581 30.35522 413.8402 31.26880 414.3224 34.70947 414.8045 35.82764 415.2866 31.91455 415.7687 26.68408 416.2508 24.55945 416.7329 24.99048 417.2151 25.45117 417.6972 24.66492 418.1793 23.08557 418.6614 20.99194 419.1435 18.32825 419.6256 15.68713 420.1078 12.95190 420.5899 10.56616 421.0720 9.104248 421.5541 10.34924 422.0362 11.18384 422.5183 9.268799 423.0005 4.638184 423.4826 2.322144 423.9647 5.967651 424.4468 10.78894 424.9289 13.59460 425.4110 12.88696 425.8932 11.61792 426.3753 9.165283 426.8574 6.239136 427.3395 4.543823 427.8216 4.796997 428.3037 5.252808 428.7859 5.007935 429.2680 3.642578 429.7501 4.672974 430.2322 9.327759 430.7143 14.57593 431.1964 17.04480 431.6786 16.37292 432.1607 14.71472 432.6428 12.13391 433.1249 9.077515 433.6070 6.877808 434.0891 5.562500 434.5713 5.063477 435.0534 6.030518 435.5355 8.001465 436.0176 8.523804 436.4997 7.220459 436.9818 5.389648 437.4640 4.455933 437.9461 4.309204 438.4282 4.475464 438.9103 5.588501 439.3924 6.450806 439.8745 4.822388 440.3566 1.063843 440.8387 1.953491 441.3209 2.087402 441.8030 0.6379390 442.2851 1.332642 442.7672 4.289429 443.2493 6.099731 443.7314 3.855347 444.2136 0.1657710 444.6957 1.783691 445.1778 4.464844 445.6599 9.604614 446.1420 8.769775 446.6241 0.9880370 447.1063 3.820190 447.5884 1.680298 448.0705 2.405029 448.5526 4.690674 449.0347 3.622559 449.5168 2.919556 449.9990 3.125854 450.4811 3.777466 450.9632 3.455200 451.4453 1.659180 451.9274 0.1585690 452.4095 1.657593 452.8917 2.895264 453.3738 2.518311 453.8559 5.1270002E-03 454.3380 2.893799 454.8201 4.105347 455.3022 3.619141 455.7844 3.089233 456.2665 3.051270 456.7486 3.011597 457.2307 1.155029 457.7128 2.293457 458.1949 4.543091 458.6771 2.457397 459.1592 1.810913 459.6413 3.726318 460.1234 2.769043 460.6055 1.029663 461.0876 4.2358000E-02 461.5698 0.4110110 462.0519 0.6990970 462.5340 0.9178470 463.0161 1.043457 463.4982 0.7567140 463.9803 0.2451170 464.4625 0.3645020 464.9446 2.780884 465.4267 4.974976 465.9088 5.290894 466.3909 2.878784 466.8730 0.3675540 467.3552 2.583984 467.8373 5.064575 468.3194 5.883301 468.8015 2.975098 469.2836 0.7658690 469.7657 6.2622003E-02 470.2479 0.3814700 470.7300 1.262085 471.2121 2.832886 471.6942 4.393555 472.1763 5.646240 472.6584 6.640869 473.1406 6.915771 473.6227 6.337402 474.1048 5.255127 474.5869 3.923950 475.0690 2.343750 475.5511 1.510620 476.0333 1.982300 476.5154 3.328003 476.9975 4.866699 477.4796 6.560303 477.9617 7.291992 478.4438 5.149658 478.9260 1.714355 479.4081 9.6923999E-02 479.8902 0.2469480 480.3723 1.680298 480.8544 4.509521 481.3365 7.609253 481.8187 9.049072 482.3008 6.127319 482.7829 2.963379 483.2650 1.907104 483.7471 2.777832 484.2292 3.895508 484.7114 4.508057 485.1935 5.353638 485.6756 7.106079 486.1577 11.34741 486.6398 13.47705 487.1219 11.23132 487.6041 7.356567 488.0862 5.501953 488.5683 7.296265 489.0504 8.332520 489.5325 7.385742 490.0146 4.787842 490.4968 3.293945 490.9789 3.181885 491.4610 3.413940 491.9431 3.250977 492.4252 2.665771 492.9073 2.854492 493.3895 4.152588 493.8716 5.437012 494.3537 4.670776 494.8358 2.306274 495.3179 0.9754640 495.8000 2.313477 496.2822 4.601807 496.7643 4.805176 497.2464 3.317505 497.7285 2.330933 498.2106 4.040161 498.6927 6.452393 499.1749 7.463867 499.6570 6.520874 500.1391 5.880859 500.6212 6.695679 501.1033 8.469482 501.5854 10.65137 502.0676 13.63953 502.5497 16.24683 503.0318 18.72156 503.5139 20.79407 503.9960 21.56763 504.4781 20.02515 504.9603 17.96484 505.4424 16.24219 505.9245 14.50244 506.4066 14.67078 506.8887 17.93506 507.3708 21.64917 507.8530 22.78821 508.3351 20.84131 508.8172 19.11218 509.2993 18.06409 509.7814 17.66626 510.2635 18.09790 510.7457 19.35364 511.2278 20.52856 511.7099 21.02881 512.1920 21.03455 512.6741 21.39111 513.1563 22.11987 513.6384 22.66663 514.1205 22.22827 514.6026 21.40808 515.0847 21.11157 515.5668 21.61755 516.0490 22.20032 516.5311 22.79199 517.0132 23.44568 517.4953 23.96533 517.9774 25.07788 518.4595 25.39954 518.9417 23.61145 519.4238 19.51770 519.9059 17.27002 520.3880 19.51526 520.8701 22.02319 521.3522 22.39172 521.8344 18.77148 522.3165 16.93994 522.7986 17.86609 523.2807 19.55579 523.7628 18.15710 524.2449 12.89636 524.7271 9.860718 525.2092 11.58948 525.6913 16.43225 526.1734 18.52234 526.6555 17.81738 527.1376 16.76489 527.6198 17.23303 528.1019 18.68359 528.5840 19.70312 529.0661 20.08105 529.5482 20.40198 530.0303 21.86304 530.5125 23.45349 530.9946 23.55676 531.4767 20.00354 531.9588 16.65845 532.4409 16.28430 532.9230 17.82959 533.4052 18.25317 533.8873 14.78711 534.3694 11.59863 534.8515 10.82349 535.3336 13.21753 535.8157 14.40271 536.2979 13.67603 536.7800 12.27722 537.2621 10.94250 537.7442 9.529175 538.2263 9.068237 538.7084 10.15430 539.1906 11.94446 539.6727 12.33704 540.1548 11.16418 540.6369 9.656128 541.1190 8.011475 541.6011 6.563721 542.0833 6.198975 542.5654 6.861328 543.0475 7.380005 543.5296 6.037720 544.0117 4.248535 544.4938 4.515625 544.9760 7.393799 545.4581 10.52502 545.9402 12.40247 546.4223 13.37610 546.9044 13.90186 547.3865 13.99377 547.8687 13.75281 548.3508 12.96411 548.8329 11.81860 549.3150 10.94409 549.7971 9.610962 550.2792 9.472290 550.7614 12.06641 551.2435 18.01965 551.7256 19.87122 552.2077 15.36621 552.6898 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