#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:05 +0300 (Thu, 26 Apr 2018) $ #$Revision: 602 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000141.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_1000141 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 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 R120010.rod _rod_data_source.block 3500000 _rod_database.code 1000141 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 103.1743 0.0000000E+00 103.6564 0.1695860 104.1385 0.9758610 104.6207 2.150116 105.1028 3.548096 105.5849 5.131622 106.0670 6.774841 106.5491 8.123779 107.0313 9.095245 107.5134 9.496582 107.9955 9.349396 108.4776 8.577972 108.9597 7.181366 109.4418 5.687622 109.9240 4.163849 110.4061 2.878601 110.8882 1.920471 111.3703 1.290894 111.8524 0.9676210 112.3345 0.9195860 112.8167 1.218750 113.2988 1.890503 113.7809 3.261505 114.2630 5.159912 114.7451 7.843735 115.2272 10.90607 115.7094 13.31696 116.1915 16.12735 116.6736 19.29121 117.1557 22.31114 117.6378 25.04974 118.1199 27.04930 118.6021 28.50919 119.0842 29.84061 119.5663 31.05232 120.0484 31.20331 120.5305 29.93697 121.0126 27.94894 121.4948 25.91428 121.9769 24.00183 122.4590 21.76152 122.9411 18.27219 123.4232 13.91682 123.9053 10.04561 124.3875 7.296448 124.8696 5.387100 125.3517 3.505386 125.8338 1.271103 126.3159 0.4773100 126.7980 1.067688 127.2802 0.6760410 127.7623 0.1228030 128.2444 9.1170996E-02 128.7265 0.6430510 129.2086 1.055466 129.6907 1.158066 130.1729 1.183975 130.6550 1.261780 131.1371 1.392822 131.6192 1.462875 132.1013 1.294876 132.5834 0.7321620 133.0656 0.2073520 133.5477 0.3312230 134.0298 0.8053590 134.5119 1.049469 134.9940 1.032288 135.4761 0.9866790 135.9583 1.450821 136.4404 2.719238 136.9225 4.172470 137.4046 5.963531 137.8867 7.893845 138.3688 9.735001 138.8510 11.44261 139.3331 12.87923 139.8152 13.54297 140.2973 13.02551 140.7794 12.51709 141.2615 12.45825 141.7437 12.80968 142.2258 13.43549 142.7079 14.45540 143.1900 15.60545 143.6721 16.34377 144.1542 16.45021 144.6364 16.37572 145.1185 16.58234 145.6006 17.12030 146.0827 17.62909 146.5648 18.00432 147.0469 18.22896 147.5291 18.21233 148.0112 17.81479 148.4933 17.27156 148.9754 17.16806 149.4575 17.86252 149.9396 18.38448 150.4218 18.38084 150.9039 18.05997 151.3860 17.67430 151.8681 17.34906 152.3502 17.09039 152.8323 16.96742 153.3145 16.66187 153.7966 16.85406 154.2787 18.05736 154.7608 19.88531 155.2429 21.59540 155.7250 22.58633 156.2072 22.79166 156.6893 23.21321 157.1714 23.83209 157.6535 24.62857 158.1356 25.85527 158.6177 27.35449 159.0999 28.57518 159.5820 28.99420 160.0641 28.46448 160.5462 27.76758 161.0283 26.77406 161.5104 25.84811 161.9926 25.49483 162.4747 25.77612 162.9568 26.26877 163.4389 26.44325 163.9210 26.33342 164.4031 26.71054 164.8853 27.73178 165.3674 29.31007 165.8495 31.38298 166.3316 34.04584 166.8137 36.96751 167.2958 39.81905 167.7780 42.63225 168.2601 45.60086 168.7422 48.97771 169.2243 52.62930 169.7064 55.91466 170.1885 58.49612 170.6707 61.04985 171.1528 64.01270 171.6349 67.33936 172.1170 70.81329 172.5991 74.30142 173.0812 77.80435 173.5634 81.26498 174.0455 84.51253 174.5276 87.86838 175.0097 91.38831 175.4918 95.11690 175.9739 99.12747 176.4561 103.4722 176.9382 108.2048 177.4203 113.2307 177.9024 118.6579 178.3845 124.2451 178.8666 129.7240 179.3488 135.1080 179.8309 140.7746 180.3130 147.1978 180.7951 154.7874 181.2772 162.2350 181.7593 169.0405 182.2415 176.0090 182.7236 183.8800 183.2057 192.7687 183.6878 201.9786 184.1699 210.4502 184.6520 217.9380 185.1342 225.2274 185.6163 233.0565 186.0984 240.3499 186.5805 246.1343 187.0626 250.1708 187.5447 252.3916 188.0269 252.4157 188.5090 250.4191 188.9911 246.4204 189.4732 239.9112 189.9553 231.4739 190.4374 222.0790 190.9196 211.7588 191.4017 200.7968 191.8838 189.2524 192.3659 177.0981 192.8480 165.2648 193.3301 154.1152 193.8123 143.6340 194.2944 133.6272 194.7765 123.9013 195.2586 114.9449 195.7407 107.0543 196.2228 100.2549 196.7050 94.15311 197.1871 88.51825 197.6692 83.34576 198.1513 78.64679 198.6334 74.52338 199.1155 70.86508 199.5977 67.66437 200.0798 64.89470 200.5619 62.35587 201.0440 59.81511 201.5261 57.20813 202.0082 54.87271 202.4904 52.85394 202.9725 51.13731 203.4546 49.88338 203.9367 49.04120 204.4188 48.24283 204.9009 46.99988 205.3831 45.13309 205.8652 43.59650 206.3473 42.31967 206.8294 41.27142 207.3115 40.49451 207.7936 40.00259 208.2758 39.72498 208.7579 39.54294 209.2400 39.56425 209.7221 39.35600 210.2042 39.01773 210.6863 38.43759 211.1685 37.38626 211.6506 35.87573 212.1327 34.26462 212.6148 33.10167 213.0969 32.78278 213.5790 32.16707 214.0612 31.18463 214.5433 29.92606 215.0254 28.32942 215.5075 26.44937 215.9896 24.59912 216.4717 23.21158 216.9539 22.48645 217.4360 21.80794 217.9181 21.17435 218.4002 20.57709 218.8823 20.02664 219.3644 19.52863 219.8466 19.01138 220.3287 18.35135 220.8108 17.50398 221.2929 16.75328 221.7750 15.98212 222.2571 15.38733 222.7393 15.36644 223.2214 16.08379 223.7035 16.88545 224.1856 16.76704 224.6677 15.80643 225.1498 15.17096 225.6320 15.47020 226.1141 16.20361 226.5962 16.53113 227.0783 16.25468 227.5604 15.75551 228.0425 15.33109 228.5247 14.98030 229.0068 14.73856 229.4889 14.58922 229.9710 14.56386 230.4531 14.80611 230.9352 15.49417 231.4174 16.09607 231.8995 16.13016 232.3816 15.75507 232.8637 15.37958 233.3458 15.08461 233.8279 14.92871 234.3101 15.17146 234.7922 16.10390 235.2743 16.94893 235.7564 17.24733 236.2385 17.15323 236.7206 16.96013 237.2028 16.77400 237.6849 16.61726 238.1670 16.57072 238.6491 16.58566 239.1312 16.81355 239.6133 17.52121 240.0955 18.42691 240.5776 19.06104 241.0597 19.10982 241.5418 18.67532 242.0239 18.22105 242.5060 17.55057 242.9882 17.15651 243.4703 17.30154 243.9524 17.75697 244.4345 18.21640 244.9166 18.52373 245.3987 18.67818 245.8809 18.63820 246.3630 17.92685 246.8451 17.66873 247.3272 18.60655 247.8093 19.96306 248.2914 20.72438 248.7736 20.32381 249.2557 19.00377 249.7378 17.74272 250.2199 16.36560 250.7020 15.29285 251.1841 14.87859 251.6663 14.69667 252.1484 14.22995 252.6305 13.22107 253.1126 11.85170 253.5947 10.66618 254.0768 9.987991 254.5590 9.121735 255.0411 7.768936 255.5232 6.306610 256.0053 5.216965 256.4874 4.705002 256.9695 4.473633 257.4517 3.804214 257.9338 1.689499 258.4159 0.3586270 258.8980 0.3282620 259.3801 0.8667450 259.8622 1.216293 260.3444 1.114273 260.8265 0.8058930 261.3086 0.7796480 261.7907 1.748962 262.2728 1.790726 262.7549 1.3687000E-02 263.2371 2.324234 263.7192 3.772812 264.2013 4.005661 264.6834 3.645752 265.1655 3.605072 265.6476 4.096115 266.1298 4.395676 266.6119 4.387268 267.0940 4.238937 267.5761 4.106125 268.0582 4.018280 268.5403 3.900345 269.0225 3.649536 269.5046 3.218964 269.9867 2.859406 270.4688 2.751038 270.9509 2.605927 271.4330 2.127426 271.9152 1.293671 272.3973 0.3550570 272.8794 0.5204010 273.3615 1.316025 273.8436 1.748627 274.3257 1.453094 274.8079 1.048660 275.2900 0.9580080 275.7721 1.212631 276.2542 1.758560 276.7363 2.613617 277.2184 3.765457 277.7006 4.934052 278.1827 6.292267 278.6648 7.520096 279.1469 8.294968 279.6290 8.665588 280.1111 9.029572 280.5933 9.570404 281.0754 10.31680 281.5575 11.26338 282.0396 12.50801 282.5217 13.82805 283.0038 15.14925 283.4860 16.45454 283.9681 17.66585 284.4502 18.74605 284.9323 19.70198 285.4144 20.51810 285.8965 21.02716 286.3787 21.79106 286.8608 23.42035 287.3429 25.62820 287.8250 27.33841 288.3071 28.02335 288.7892 28.29137 289.2714 29.05875 289.7535 30.36958 290.2356 31.69139 290.7177 32.84271 291.1998 33.81990 291.6819 34.57968 292.1641 35.01855 292.6462 35.42224 293.1283 36.26805 293.6104 37.48497 294.0925 38.33670 294.5746 38.24214 295.0568 37.63080 295.5389 37.41319 296.0210 37.81093 296.5031 38.25168 296.9852 38.07298 297.4673 37.51059 297.9495 37.22946 298.4316 37.64168 298.9137 38.38243 299.3958 38.96411 299.8779 39.38863 300.3600 39.58119 300.8422 39.13052 301.3243 38.46187 301.8064 38.38213 302.2885 39.47815 302.7706 40.83450 303.2527 41.28311 303.7349 40.75352 304.2170 40.35716 304.6991 40.83113 305.1812 41.63846 305.6633 42.07829 306.1454 42.05554 306.6276 41.68236 307.1097 40.93126 307.5918 39.82751 308.0739 38.78569 308.5560 38.03047 309.0381 37.32321 309.5203 36.39844 310.0024 35.23155 310.4845 33.98766 310.9666 32.82191 311.4487 31.69061 311.9308 30.32814 312.4130 28.47145 312.8951 26.69960 313.3772 25.60242 313.8593 25.09010 314.3414 24.65521 314.8235 24.02083 315.3057 23.27664 315.7878 22.63617 316.2699 22.11879 316.7520 21.70503 317.2341 21.51181 317.7162 21.41556 318.1984 21.12753 318.6805 20.36870 319.1626 19.44324 319.6447 18.89444 320.1268 18.80482 320.6089 18.63037 321.0911 17.81561 321.5732 16.70990 322.0553 15.78104 322.5374 15.08638 323.0195 14.69772 323.5016 14.81975 323.9838 15.47087 324.4659 16.02408 324.9480 16.23973 325.4301 16.22670 325.9122 16.05873 326.3943 15.68297 326.8765 15.47594 327.3586 15.73178 327.8407 16.40295 328.3228 17.27188 328.8049 18.44380 329.2870 19.61200 329.7692 20.39032 330.2513 20.82002 330.7334 21.36192 331.2155 22.25174 331.6976 23.38220 332.1797 24.56467 332.6619 25.84688 333.1440 26.98843 333.6261 27.82042 334.1082 28.37184 334.5903 28.62445 335.0724 28.33510 335.5546 27.85913 336.0367 27.77190 336.5188 28.13712 337.0009 28.23741 337.4830 27.54346 337.9651 26.32658 338.4473 25.11635 338.9294 23.99028 339.4115 22.84683 339.8936 21.48599 340.3757 19.96568 340.8578 18.82568 341.3400 18.49440 341.8221 18.39752 342.3042 17.61760 342.7863 16.04330 343.2684 14.45013 343.7505 13.25554 344.2327 12.31960 344.7148 11.25223 345.1969 9.890076 345.6790 8.602951 346.1611 7.933838 346.6432 7.780960 347.1254 7.596680 347.6075 7.278732 348.0896 6.834900 348.5717 6.171722 349.0538 5.263336 349.5359 4.537155 350.0181 4.348053 350.5002 4.628479 350.9823 4.951599 351.4644 5.534256 351.9465 5.948196 352.4286 5.794205 352.9108 5.174561 353.3929 4.548019 353.8750 4.086288 354.3571 3.812317 354.8392 3.794144 355.3214 4.139801 355.8035 4.454742 356.2856 4.497620 356.7677 4.433517 357.2498 4.551376 357.7319 4.934448 358.2141 5.515030 358.6962 6.278107 359.1783 7.286469 359.6604 8.078674 360.1425 8.390121 360.6246 8.597977 361.1068 9.072311 361.5889 9.841232 362.0710 10.64922 362.5531 11.22928 363.0352 11.60739 363.5173 12.43900 363.9995 14.12462 364.4816 15.82440 364.9637 16.96594 365.4458 17.78671 365.9279 18.94724 366.4100 20.81789 366.8922 23.19048 367.3743 25.36858 367.8564 27.06889 368.3385 28.98814 368.8206 31.52269 369.3027 34.19501 369.7849 36.33400 370.2670 37.76874 370.7491 39.02565 371.2312 40.85275 371.7133 43.51660 372.1954 45.99649 372.6776 48.03433 373.1597 50.06631 373.6418 52.38818 374.1239 54.97908 374.6060 57.61922 375.0881 60.13205 375.5703 62.51996 376.0524 65.30383 376.5345 68.77873 377.0166 72.28456 377.4987 75.45145 377.9808 78.62898 378.4630 82.34586 378.9451 86.85324 379.4272 91.93790 379.9093 97.09660 380.3914 102.5110 380.8735 107.7157 381.3557 112.5833 381.8378 117.2782 382.3199 121.9679 382.8020 126.6663 383.2841 131.2382 383.7662 135.6125 384.2484 139.8985 384.7305 143.2803 385.2126 146.3012 385.6947 147.8185 386.1768 147.1372 386.6589 144.6455 387.1411 141.0852 387.6232 136.8222 388.1053 131.9247 388.5874 126.6091 389.0695 120.8705 389.5516 114.7412 390.0338 107.8526 390.5159 100.8098 390.9980 94.14302 391.4801 87.98788 391.9622 82.27203 392.4443 76.72075 392.9265 71.25702 393.4086 66.80092 393.8907 63.98267 394.3728 61.81552 394.8549 59.76421 395.3370 57.85484 395.8192 56.32918 396.3013 55.58893 396.7834 55.34477 397.2655 54.53239 397.7476 52.83990 398.2297 51.47626 398.7119 51.27170 399.1940 51.67889 399.6761 52.10547 400.1582 52.49101 400.6403 52.62410 401.1224 52.10445 401.6046 51.00632 402.0867 50.26387 402.5688 50.26064 403.0509 50.63283 403.5330 51.02460 404.0151 51.40407 404.4973 51.35417 404.9794 50.38965 405.4615 49.06020 405.9436 48.41147 406.4257 48.62892 406.9078 48.65788 407.3900 47.49100 407.8721 45.40521 408.3542 43.76595 408.8363 42.96880 409.3184 42.30957 409.8005 41.44522 410.2827 40.41159 410.7648 39.21707 411.2469 37.83414 411.7290 36.34624 412.2111 34.95650 412.6932 33.71429 413.1754 32.43689 413.6575 31.18605 414.1396 29.83936 414.6217 28.13129 415.1038 26.06485 415.5859 24.06726 416.0681 22.57361 416.5502 21.63020 417.0323 20.76112 417.5144 20.12355 417.9965 19.38539 418.4786 18.41139 418.9608 17.24026 419.4429 15.90274 419.9250 14.40393 420.4071 12.85919 420.8892 11.58907 421.3713 10.75381 421.8535 9.987442 422.3356 9.261917 422.8177 8.601669 423.2998 8.129303 423.7819 7.796890 424.2640 7.336227 424.7462 6.412323 425.2283 4.972153 425.7104 3.794525 426.1925 2.949524 426.6746 2.321869 427.1567 2.062820 427.6389 1.954422 428.1210 1.648132 428.6031 0.9491880 429.0852 8.3359003E-02 429.5673 0.4765010 430.0494 0.6570590 430.5316 0.8037870 431.0137 0.9168850 431.4958 1.072830 431.9779 1.384811 432.4600 1.835892 432.9421 2.199936 433.4243 2.272263 433.9064 2.107391 434.3885 1.958069 434.8706 1.879913 435.3527 1.713211 435.8348 1.103455 436.3170 0.3735500 436.7991 0.1316220 437.2812 0.7880400 437.7633 1.610107 438.2454 1.959122 438.7275 1.872482 439.2097 1.557297 439.6918 1.001251 440.1739 0.3695220 440.6560 3.8940001E-02 441.1381 0.1950840 441.6202 0.5105130 442.1024 1.315582 442.5845 2.220215 443.0666 2.857666 443.5487 3.175934 444.0308 3.050018 444.5129 2.205795 444.9951 0.7991790 445.4772 0.2565160 445.9593 1.104950 446.4414 2.065399 446.9235 2.977112 447.4056 3.694427 447.8878 3.940262 448.3699 3.629608 448.8520 3.067413 449.3341 2.709000 449.8162 2.614426 450.2983 2.575302 450.7805 2.693283 451.2626 2.765884 451.7447 2.685287 452.2268 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