#------------------------------------------------------------------------------ #$Date: 2018-04-20 15:39:35 +0300 (Fri, 20 Apr 2018) $ #$Revision: 436 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000019.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_1000019 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_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 R050336.rod _rod_data_source.block 3500000 _rod_database.code 1000019 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 117.1114 0.0000000E+00 117.5935 3.691956 118.0756 6.441284 118.5577 6.827087 119.0398 5.567322 119.5220 4.478699 120.0041 3.706665 120.4862 3.237976 120.9683 3.555084 121.4504 4.213104 121.9325 4.412415 122.4147 5.653137 122.8968 9.742523 123.3789 10.81100 123.8610 7.888458 124.3431 4.892456 124.8252 1.765900 125.3074 0.4850160 125.7895 0.6246030 126.2716 0.7815550 126.7537 1.030914 127.2358 1.025299 127.7179 0.1134640 128.2001 1.033112 128.6822 1.405640 129.1643 0.1646420 129.6464 2.468597 130.1285 3.594147 130.6107 0.9011230 131.0928 1.179413 131.5749 1.138611 132.0570 0.4571230 132.5391 2.114990 133.0212 2.478455 133.5034 1.267578 133.9855 0.6586300 134.4676 4.7302000E-02 134.9497 0.3493960 135.4318 2.838867 135.9139 7.328186 136.3960 11.70557 136.8782 13.29474 137.3603 11.32358 137.8424 10.59827 138.3245 12.37607 138.8066 15.15375 139.2887 17.22833 139.7709 18.20923 140.2530 18.54514 140.7351 18.52951 141.2172 18.19345 141.6993 18.13812 142.1814 18.88879 142.6636 20.19565 143.1457 21.08524 143.6278 21.02121 144.1099 20.84778 144.5920 21.17627 145.0741 22.02661 145.5563 23.31381 146.0384 25.30554 146.5205 28.18472 147.0026 30.20770 147.4847 30.03348 147.9668 29.56445 148.4490 29.95605 148.9311 31.40918 149.4132 33.13260 149.8953 33.76962 150.3774 32.27042 150.8595 31.87106 151.3417 33.42303 151.8238 35.61230 152.3059 37.27780 152.7880 38.00064 153.2701 38.35910 153.7522 39.82648 154.2344 44.43231 154.7165 47.85675 155.1986 49.30719 155.6807 49.67450 156.1628 49.96622 156.6449 50.64798 157.1271 51.72327 157.6092 53.27286 158.0913 55.46500 158.5734 57.84024 159.0555 60.72607 159.5376 63.76993 160.0198 66.00452 160.5019 66.76520 160.9840 66.31937 161.4661 65.96582 161.9482 65.56412 162.4303 65.38034 162.9125 65.68994 163.3946 66.47437 163.8767 67.29489 164.3588 67.77930 164.8409 68.17267 165.3230 68.92734 165.8052 70.37518 166.2873 71.97861 166.7694 72.93411 167.2515 73.02628 167.7336 73.20093 168.2157 73.92691 168.6979 74.99368 169.1800 76.24506 169.6621 77.75732 170.1442 79.31033 170.6263 80.27026 171.1084 80.41660 171.5906 80.25092 172.0727 79.76782 172.5548 79.16101 173.0369 78.69119 173.5190 78.52695 174.0011 78.63626 174.4833 78.76880 174.9654 79.90170 175.4475 80.09619 175.9296 78.18021 176.4117 75.04602 176.8938 72.38632 177.3760 71.61084 177.8581 72.81097 178.3402 72.32883 178.8223 68.84351 179.3044 65.18512 179.7865 62.50626 180.2687 60.58783 180.7508 58.46378 181.2329 55.26291 181.7150 50.82886 182.1971 47.13583 182.6792 44.37833 183.1614 42.06631 183.6435 40.20517 184.1256 38.69977 184.6077 37.01996 185.0898 34.47095 185.5719 31.00772 186.0541 28.61496 186.5362 28.57217 187.0183 29.08588 187.5004 28.20963 187.9825 25.66037 188.4646 22.82880 188.9468 20.79700 189.4289 19.54752 189.9110 18.84564 190.3931 19.08368 190.8752 19.63333 191.3573 19.32697 191.8395 17.70944 192.3216 16.29895 192.8037 16.42697 193.2858 17.66312 193.7679 19.13113 194.2500 20.77927 194.7322 22.37103 195.2143 23.03928 195.6964 22.15128 196.1785 21.27118 196.6606 21.46149 197.1427 22.31860 197.6249 22.94022 198.1070 22.40729 198.5891 20.93622 199.0712 20.67947 199.5533 22.61157 200.0354 24.62228 200.5176 26.05692 200.9997 26.98169 201.4818 27.61078 201.9639 28.01651 202.4460 28.23608 202.9281 29.02249 203.4103 30.45432 203.8924 32.31247 204.3745 34.99005 204.8566 38.14886 205.3387 40.98752 205.8208 42.71198 206.3030 43.16510 206.7851 43.59894 207.2672 43.39807 207.7493 43.62399 208.2314 44.96481 208.7135 47.31488 209.1957 50.08569 209.6778 52.65430 210.1599 54.93832 210.6420 56.92532 211.1241 58.31570 211.6062 59.72705 212.0884 61.62070 212.5705 63.91449 213.0526 66.22055 213.5347 68.11230 214.0168 69.29233 214.4989 70.02719 214.9811 70.24695 215.4632 70.40225 215.9453 70.55740 216.4274 70.59601 216.9095 70.79352 217.3916 71.47678 217.8737 72.67664 218.3559 73.69733 218.8380 74.45816 219.3201 75.08118 219.8022 75.68192 220.2843 76.26483 220.7664 76.73651 221.2486 77.04016 221.7307 77.17004 222.2128 77.10150 222.6949 76.90894 223.1770 76.46237 223.6591 75.56448 224.1413 74.17072 224.6234 72.59161 225.1055 70.80688 225.5876 69.00858 226.0697 67.63123 226.5518 67.43213 227.0340 67.38818 227.5161 65.67105 227.9982 61.72153 228.4803 58.03232 228.9624 56.43927 229.4445 55.91782 229.9267 55.14520 230.4088 53.46051 230.8909 51.43481 231.3730 50.36517 231.8551 50.82150 232.3372 50.78079 232.8194 48.98914 233.3015 46.40002 233.7836 44.14481 234.2657 42.82181 234.7478 41.88837 235.2299 39.95447 235.7121 36.17908 236.1942 33.10571 236.6763 31.74451 237.1584 31.23813 237.6405 30.80746 238.1227 30.16959 238.6048 29.21210 239.0869 27.50302 239.5690 24.07748 240.0511 21.63562 240.5332 21.06744 241.0154 21.38989 241.4975 21.92255 241.9796 22.39441 242.4617 22.42322 242.9438 20.81195 243.4259 15.15686 243.9081 11.74582 244.3902 12.72635 244.8723 15.31775 245.3544 16.86401 245.8365 16.34048 246.3186 14.65408 246.8008 13.89862 247.2829 15.16141 247.7650 15.80887 248.2471 15.26868 248.7292 14.33710 249.2113 13.93729 249.6935 14.33893 250.1756 14.84137 250.6577 14.02213 251.1398 10.28067 251.6219 7.504089 252.1040 6.029297 252.5862 5.305145 253.0683 5.046967 253.5504 5.124939 254.0325 5.246094 254.5146 4.922607 254.9967 3.859283 255.4789 2.857483 255.9610 1.438965 256.4431 0.3557740 256.9252 0.6827390 257.4073 2.568237 257.8894 4.611664 258.3716 4.883118 258.8537 2.493927 259.3358 0.4404300 259.8179 1.379456 260.3000 2.815735 260.7821 3.597748 261.2643 3.714142 261.7464 3.638641 262.2285 3.937317 262.7106 4.763000 263.1927 5.133942 263.6748 4.960052 264.1570 4.375031 264.6391 3.180786 265.1212 1.429169 265.6033 5.1879999E-03 266.0854 5.9997998E-02 266.5675 1.307007 267.0497 1.931763 267.5318 1.479553 268.0139 0.4682620 268.4960 1.275116 268.9781 3.630005 269.4602 4.899750 269.9424 3.179230 270.4245 0.9853520 270.9066 3.276855 271.3887 2.025360 271.8708 6.4819001E-02 272.3529 0.1507260 272.8351 1.227325 273.3172 1.935608 273.7993 5.7587001E-02 274.2814 3.395386 274.7635 5.078827 275.2456 3.851898 275.7278 2.046692 276.2099 1.005341 276.6920 0.7178340 277.1741 1.202972 277.6562 2.904053 278.1383 5.129669 278.6205 6.387848 279.1026 6.271332 279.5847 6.088165 280.0668 6.714996 280.5489 8.051849 281.0310 9.580261 281.5132 11.42032 281.9953 13.02716 282.4774 13.67642 282.9595 13.26312 283.4416 12.56577 283.9237 11.79678 284.4059 11.06088 284.8880 10.82309 285.3701 11.34775 285.8522 12.22836 286.3343 12.99564 286.8164 13.65778 287.2986 14.43829 287.7807 15.82114 288.2628 17.46475 288.7449 18.17929 289.2270 17.55463 289.7091 16.39859 290.1913 15.01251 290.6734 13.57233 291.1555 12.77887 291.6376 13.33539 292.1197 14.73831 292.6018 15.75122 293.0840 16.12476 293.5661 16.57129 294.0482 18.10629 294.5303 20.01917 295.0124 20.88919 295.4945 19.45370 295.9767 17.02658 296.4588 16.15201 296.9409 17.31116 297.4230 18.37320 297.9051 17.98950 298.3872 16.94193 298.8694 16.11136 299.3515 15.81454 299.8336 15.71204 300.3157 15.26788 300.7978 14.37726 301.2799 13.76239 301.7621 13.94000 302.2442 14.40161 302.7263 14.64191 303.2084 14.50821 303.6905 14.45215 304.1726 15.14990 304.6548 16.65192 305.1369 17.62766 305.6190 17.54477 306.1011 16.93723 306.5832 16.06381 307.0653 14.96945 307.5475 14.00906 308.0296 13.46732 308.5117 13.32150 308.9938 13.36041 309.4759 13.72260 309.9580 14.09827 310.4402 14.22122 310.9223 14.16180 311.4044 14.19006 311.8865 14.71194 312.3686 15.51566 312.8507 15.59903 313.3329 14.55426 313.8150 13.43747 314.2971 12.83987 314.7792 12.60635 315.2613 12.33752 315.7434 11.59195 316.2256 10.79025 316.7077 11.14316 317.1898 13.30188 317.6719 14.59244 318.1540 13.10486 318.6361 10.52090 319.1183 8.627991 319.6004 8.036560 320.0825 8.030182 320.5646 7.605957 321.0467 6.692413 321.5288 6.065613 322.0110 6.224640 322.4931 6.696686 322.9752 7.243317 323.4573 7.807892 323.9394 8.067749 324.4215 7.613251 324.9037 6.505371 325.3858 5.311462 325.8679 3.484467 326.3500 2.410126 326.8321 3.479553 327.3142 6.321381 327.7964 8.726196 328.2785 8.598999 328.7606 6.514557 329.2427 5.646240 329.7248 6.771332 330.2069 8.066315 330.6891 8.636566 331.1712 8.549133 331.6533 7.932159 332.1354 6.316254 332.6175 4.253082 333.0996 3.012085 333.5818 2.756714 334.0639 2.760956 334.5460 2.894318 335.0281 3.020477 335.5102 2.939911 335.9923 2.527252 336.4745 2.040436 336.9566 1.817810 337.4387 1.881104 337.9208 1.850372 338.4029 1.585938 338.8850 1.177185 339.3671 0.6131590 339.8492 0.1444090 340.3314 0.6691890 340.8135 0.5932310 341.2956 1.9592000E-02 341.7777 0.8399050 342.2598 2.058319 342.7419 3.098572 343.2241 3.035828 343.7062 2.181213 344.1883 2.202362 344.6704 4.964905 345.1525 8.983978 345.6346 10.71414 346.1168 9.348267 346.5989 7.719330 347.0810 7.929230 347.5631 9.286957 348.0452 10.73404 348.5273 12.12363 349.0095 13.38144 349.4916 14.31708 349.9737 14.91766 350.4558 15.67856 350.9379 16.87036 351.4200 18.34665 351.9022 19.88452 352.3843 21.54736 352.8664 23.05460 353.3485 23.99094 353.8306 24.55344 354.3127 25.61282 354.7949 27.65149 355.2770 29.86908 355.7591 31.31088 356.2412 32.02103 356.7233 32.32309 357.2054 31.63794 357.6876 30.83365 358.1697 31.39713 358.6518 33.61227 359.1339 36.54816 359.6160 39.83502 360.0981 43.27954 360.5803 45.74384 361.0624 46.24951 361.5445 46.34848 362.0266 47.31927 362.5087 49.09445 362.9908 50.97253 363.4730 52.67865 363.9551 54.13672 364.4372 55.18073 364.9193 55.58481 365.4014 55.98669 365.8835 56.59485 366.3657 57.38565 366.8478 58.45193 367.3299 59.91351 367.8120 61.27460 368.2941 61.69141 368.7762 61.03641 369.2584 60.11212 369.7405 58.35898 370.2226 56.77139 370.7047 56.70401 371.1868 58.20480 371.6689 59.61353 372.1511 59.29251 372.6332 57.14261 373.1153 56.10114 373.5974 57.39194 374.0795 58.46957 374.5616 57.78839 375.0438 55.88342 375.5259 54.24634 376.0080 53.73053 376.4901 53.98654 376.9722 53.78708 377.4543 52.71976 377.9365 51.73694 378.4186 50.85742 378.9007 50.14069 379.3828 49.70987 379.8649 49.58279 380.3470 49.60654 380.8292 49.62784 381.3113 49.87579 381.7934 49.32571 382.2755 46.86807 382.7576 44.67661 383.2397 44.25406 383.7219 45.30670 384.2040 46.57562 384.6861 47.11807 385.1682 46.95587 385.6503 46.36948 386.1324 44.70291 386.6146 43.33957 387.0967 42.60324 387.5788 42.28787 388.0609 42.23065 388.5430 42.35840 389.0251 42.42856 389.5073 41.88794 389.9894 40.31854 390.4715 38.99631 390.9536 38.24991 391.4357 37.53412 391.9178 36.47650 392.4000 35.06302 392.8821 33.53036 393.3642 32.11090 393.8463 30.80670 394.3284 29.40012 394.8105 27.74301 395.2927 26.13330 395.7748 24.83911 396.2569 23.63300 396.7390 22.11401 397.2211 20.05331 397.7032 17.62894 398.1854 15.09985 398.6675 12.17749 399.1496 10.03421 399.6317 9.688690 400.1138 9.813965 400.5959 9.493988 401.0781 8.542603 401.5602 7.403198 402.0423 6.341675 402.5244 5.477966 403.0065 5.342041 403.4886 6.598663 403.9708 7.708069 404.4529 7.345642 404.9350 6.000793 405.4171 5.000641 405.8992 4.950958 406.3813 5.400879 406.8635 5.852325 407.3456 6.414825 407.8277 6.654327 408.3098 6.242981 408.7919 5.446655 409.2740 4.718903 409.7562 3.985504 410.2383 3.567261 410.7204 3.854431 411.2025 4.702148 411.6846 5.599823 412.1667 6.363525 412.6489 6.869049 413.1310 7.131775 413.6131 7.293457 414.0952 7.113983 414.5773 5.925262 415.0594 4.746246 415.5416 5.053101 416.0237 6.729919 416.5058 7.768280 416.9879 6.542755 417.4700 3.573486 417.9521 1.981293 418.4343 2.489868 418.9164 3.089508 419.3985 3.448181 419.8806 3.646606 420.3627 3.671295 420.8448 3.518311 421.3270 3.313416 421.8091 3.243927 422.2912 3.322937 422.7733 3.387939 423.2554 3.680969 423.7375 3.663910 424.2197 2.713226 424.7018 1.180023 425.1839 0.1876830 425.6660 0.6301570 426.1481 2.219971 426.6302 2.970215 427.1124 1.820221 427.5945 1.100494 428.0766 1.320984 428.5587 1.983246 429.0408 2.673157 429.5229 3.235535 430.0051 3.594635 430.4872 3.542664 430.9693 2.899475 431.4514 2.611420 431.9335 3.350861 432.4156 3.870331 432.8978 3.333405 433.3799 2.143555 433.8620 1.370087 434.3441 1.794525 434.8262 3.000458 435.3083 3.891571 435.7905 4.578979 436.2726 4.623962 436.7547 2.912994 437.2368 0.9896850 437.7189 0.4736940 438.2010 1.751801 438.6832 3.131165 439.1653 2.863617 439.6474 1.326782 440.1295 0.6504520 440.6116 1.450195 441.0938 2.602173 441.5759 3.211334 442.0580 3.397919 442.5401 3.464691 443.0222 3.215210 443.5043 3.075775 443.9865 3.759125 444.4686 5.131805 444.9507 5.989471 445.4328 5.693481 445.9149 4.602783 446.3970 3.377594 446.8792 1.629395 447.3613 0.8016970 447.8434 2.209534 448.3255 4.325867 448.8076 5.045349 449.2897 4.082214 449.7719 3.020844 450.2540 3.502686 450.7361 5.652161 451.2182 6.485443 451.7003 5.142273 452.1824 3.644867 452.6646 2.472015 453.1467 1.691956 453.6288 1.439941 454.1109 1.774994 454.5930 2.408112 455.0751 2.780151 455.5573 2.886017 456.0394 2.705231 456.5215 2.220520 457.0036 1.515472 457.4857 0.2091670 457.9678 1.351624 458.4500 2.190521 458.9321 1.458496 459.4142 0.5928340 459.8963 2.644989 460.3784 5.515289 460.8605 6.826965 461.3427 4.996887 461.8248 2.046906 462.3069 0.2417600 462.7890 1.421021 463.2711 1.740204 463.7532 0.9857790 464.2354 0.7165830 464.7175 1.413391 465.1996 0.3516850 465.6817 0.9016420 466.1638 1.215057 466.6459 0.8557430 467.1281 0.4438780 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1261.174 3.583054 1261.656 3.616714 1262.138 1.213837 1262.620 0.4497990 1263.103 0.7846830 1263.585 2.146179 1264.067 2.338455 1264.549 2.246109 1265.031 2.532684 1265.513 2.951843 1265.995 2.858719 1266.477 2.451859 1266.959 3.100494 1267.442 5.391800 1267.924 5.962219 1268.406 5.147827 1268.888 3.670975 1269.370 1.528412 1269.852 0.3877110 1270.334 1.179306 1270.816 2.363708 1271.299 2.281784 1271.781 1.448151 1272.263 0.5722660 1272.745 0.1136780 1273.227 0.1920470 1273.709 7.9039996E-03 1274.191 1.575348 1274.673 1.104263 1275.156 1.704956 1275.638 3.580933 1276.120 4.540329 1276.602 2.706223 1277.084 0.9003140 1277.566 0.2697910 1278.048 0.4013370 1278.530 1.679749 1279.012 3.083069 1279.495 3.257629 1279.977 2.471420 1280.459 2.271240 1280.941 2.661224 1281.423 2.216522 1281.905 0.3423920 1282.387 0.1191250 1282.869 1.586624 1283.351 2.895187 1283.834 3.097748 1284.316 2.806534 1284.798 2.143204 1285.280 1.692688 1285.762 0.9068910 1286.244 0.0000000E+00