#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:11 +0300 (Thu, 24 May 2018) $ #$Revision: 814 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000304.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_1000304 loop_ _publ_author_name 'Nagashima, M.' 'Akasada, M.' _publ_section_title ; X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=1.0, run 41 ; _journal_name_full 'American Mineralogist' _journal_page_first 1237 _journal_page_last 1246 _journal_paper_doi 10.2138/am.2010.3418 _journal_volume 95 _journal_year 2010 _chemical_compound_source Synthetic _chemical_formula_sum 'Al2.09 Ca2 Fe0.91 H O13 Si3' _chemical_name_mineral Epidote _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 115.432 _cell_angle_gamma 90 _cell_length_a 8.8902 _cell_length_b 5.6366 _cell_length_c 10.1600 _cell_volume 459.786 _exptl_crystal_density_diffrn 3.472 _cod_original_formula_sum 'Ca2 Al2.09 Fe.91 Si3 O13 H' _cod_database_code 9016199 _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 R110129.rod _rod_data_source.block 3500000 _rod_database.code 1000304 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 9016199 COD http://www.crystallography.net/cod/9016199.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 160.8812 0.0000000E+00 161.3633 0.2359370 161.8455 0.5092320 162.3276 0.6518060 162.8097 0.3950790 163.2918 0.1250670 163.7739 0.1148030 164.2560 8.4118001E-02 164.7382 0.5530320 165.2203 1.615376 165.7024 2.428154 166.1845 2.428265 166.6666 2.145037 167.1487 2.044714 167.6309 2.371159 168.1130 2.801102 168.5951 3.131363 169.0772 3.380997 169.5593 3.650215 170.0414 4.146246 170.5236 4.653698 171.0057 4.934628 171.4878 4.693562 171.9699 4.244064 172.4520 4.073627 172.9341 4.172157 173.4163 4.337086 173.8984 4.539547 174.3805 4.699642 174.8626 4.673107 175.3447 4.261662 175.8268 3.720196 176.3090 3.339138 176.7911 3.120163 177.2732 2.931664 177.7553 2.373966 178.2374 1.577732 178.7195 1.024883 179.2017 1.247036 179.6838 1.712872 180.1659 1.470715 180.6480 0.4726980 181.1301 0.5427320 181.6122 0.8380780 182.0944 0.5544660 182.5765 0.1499250 183.0586 0.2313580 183.5407 0.5897940 184.0228 0.9196360 184.5049 1.202301 184.9871 1.536530 185.4692 2.035557 185.9513 2.688679 186.4334 3.407364 186.9155 4.345840 187.3976 5.345341 187.8798 5.804596 188.3619 5.622364 188.8440 5.221077 189.3261 5.189415 189.8082 5.501568 190.2903 5.829746 190.7725 5.976833 191.2546 5.987076 191.7367 6.121555 192.2188 6.435333 192.7009 6.769714 193.1830 6.718109 193.6652 6.275089 194.1473 6.076935 194.6294 6.597672 195.1115 7.773556 195.5936 8.772518 196.0757 9.481819 196.5579 10.10868 197.0400 11.11848 197.5221 12.55080 198.0042 13.93414 198.4863 14.99915 198.9684 15.73800 199.4506 16.48535 199.9327 17.29173 200.4148 18.07191 200.8969 18.61795 201.3790 18.91753 201.8611 19.09413 202.3433 19.31568 202.8254 19.62982 203.3075 19.40153 203.7896 18.46575 204.2717 17.07231 204.7538 15.87664 205.2360 15.01537 205.7181 14.13446 206.2002 13.03574 206.6823 11.73444 207.1644 10.53648 207.6465 9.415810 208.1287 8.441051 208.6108 7.815933 209.0929 7.593807 209.5750 7.567532 210.0571 7.685421 210.5392 8.030930 211.0214 8.105396 211.5035 7.744839 211.9856 7.125313 212.4677 6.878082 212.9498 7.118095 213.4319 7.474346 213.9140 7.699360 214.3962 7.707565 214.8783 7.912369 215.3604 8.419254 215.8425 9.139221 216.3246 9.667999 216.8067 9.914806 217.2889 10.15513 217.7710 10.52233 218.2531 10.95707 218.7352 11.64934 219.2173 12.88854 219.6994 14.50427 220.1816 15.57267 220.6637 15.82868 221.1458 16.02948 221.6279 16.70834 222.1100 18.20602 222.5921 19.30614 223.0743 19.76025 223.5564 19.73331 224.0385 20.05261 224.5206 20.88003 225.0027 21.78255 225.4848 22.52352 225.9670 23.13114 226.4491 23.49149 226.9312 23.55291 227.4133 23.36018 227.8954 23.11317 228.3775 22.77751 228.8597 22.44343 229.3418 22.25878 229.8239 22.60513 230.3060 22.17498 230.7881 20.54922 231.2702 18.02854 231.7524 16.12401 232.2345 15.10589 232.7166 14.34324 233.1987 13.47852 233.6808 12.39302 234.1629 11.45811 234.6451 10.64321 235.1272 9.987606 235.6093 9.674152 236.0914 9.855682 236.5735 10.16836 237.0556 10.38757 237.5378 10.34663 238.0199 10.60946 238.5020 11.43139 238.9841 12.58398 239.4662 13.08874 239.9483 12.58127 240.4305 11.95607 240.9126 11.69508 241.3947 12.01574 241.8768 12.24223 242.3589 12.45959 242.8410 12.56021 243.3232 12.11117 243.8053 10.84783 244.2874 9.396500 244.7695 8.083332 245.2516 6.987640 245.7337 5.822407 246.2159 4.521931 246.6980 3.146332 247.1801 1.918106 247.6622 0.8641850 248.1443 0.1036490 248.6264 1.079327 249.1086 2.337551 249.5907 2.933456 250.0728 2.622604 250.5549 1.706238 251.0370 0.9868620 251.5191 0.5722540 252.0013 0.1800800 252.4834 0.2938040 252.9655 0.7857780 253.4476 1.527740 253.9297 2.615166 254.4118 3.908649 254.8940 5.063484 255.3761 5.810551 255.8582 6.902756 256.3403 8.744717 256.8224 11.65178 257.3046 14.24793 257.7867 16.48495 258.2688 18.41712 258.7509 20.09456 259.2330 21.38242 259.7151 22.64933 260.1973 23.99276 260.6794 25.32717 261.1615 27.00983 261.6436 29.06101 262.1257 31.42039 262.6078 34.08203 263.0900 37.26041 263.5721 40.16792 264.0542 42.35218 264.5363 43.64372 265.0184 45.57313 265.5005 48.32349 265.9827 51.53077 266.4648 54.73467 266.9469 57.87080 267.4290 61.11856 267.9111 64.46791 268.3932 67.87155 268.8754 72.07492 269.3575 77.40279 269.8396 83.01608 270.3217 87.66758 270.8038 91.05453 271.2859 94.60732 271.7681 98.81127 272.2502 103.6103 272.7323 108.0408 273.2144 112.1814 273.6965 115.6342 274.1786 118.0674 274.6608 119.5755 275.1429 119.6619 275.6250 118.1925 276.1071 115.2160 276.5892 110.7061 277.0714 104.4546 277.5535 97.46770 278.0356 90.54310 278.5177 83.67467 278.9998 77.08209 279.4819 70.72272 279.9641 64.66084 280.4462 59.44942 280.9283 55.11725 281.4104 51.47097 281.8925 48.32292 282.3746 45.65910 282.8568 43.46640 283.3389 41.76813 283.8210 40.51244 284.3031 39.57598 284.7852 38.99550 285.2673 38.64018 285.7495 38.42870 286.2316 38.34379 286.7137 38.32259 287.1958 38.31498 287.6779 38.39150 288.1600 38.71490 288.6422 39.30226 289.1243 40.04916 289.6064 40.92187 290.0885 41.90237 290.5706 42.83310 291.0527 43.65120 291.5349 44.52946 292.0170 45.71614 292.4991 47.19757 292.9812 48.95629 293.4633 51.01450 293.9454 53.33360 294.4276 55.85538 294.9097 58.60757 295.3918 61.31950 295.8739 63.86634 296.3560 66.13947 296.8381 67.73663 297.3203 68.14252 297.8024 67.78342 298.2845 67.67109 298.7666 67.88521 299.2487 67.70679 299.7308 66.26630 300.2130 63.81514 300.6951 61.09830 301.1772 58.18428 301.6593 55.29657 302.1414 52.67266 302.6235 50.33569 303.1057 48.29732 303.5878 46.76886 304.0699 45.54470 304.5520 44.25120 305.0341 42.45515 305.5162 40.82750 305.9984 40.13871 306.4805 40.29997 306.9626 40.72169 307.4447 41.18921 307.9268 41.67403 308.4089 42.08639 308.8911 42.26525 309.3732 42.54218 309.8553 43.27973 310.3374 44.36068 310.8195 45.41226 311.3016 46.36723 311.7838 47.11203 312.2659 47.49858 312.7480 47.35535 313.2301 47.18652 313.7122 47.75362 314.1943 48.52148 314.6765 48.34903 315.1586 46.12688 315.6407 43.23462 316.1228 40.40751 316.6049 37.71192 317.0870 35.26693 317.5692 33.22528 318.0513 31.46262 318.5334 29.82289 319.0155 28.34497 319.4976 26.91608 319.9797 25.44605 320.4619 23.92101 320.9440 22.61264 321.4261 21.61797 321.9082 20.85830 322.3903 20.26336 322.8724 20.02072 323.3546 19.75341 323.8367 19.30846 324.3188 18.68404 324.8009 18.17931 325.2830 17.93276 325.7651 17.77640 326.2473 17.60337 326.7294 17.61983 327.2115 17.34899 327.6936 16.63395 328.1757 15.57828 328.6578 14.59013 329.1400 13.86550 329.6221 13.05336 330.1042 11.96787 330.5863 10.20794 331.0684 8.810192 331.5505 8.009861 332.0327 7.550751 332.5148 6.861629 332.9969 5.794380 333.4790 4.661812 333.9611 3.542770 334.4432 2.417652 334.9254 1.478802 335.4075 0.7539370 335.8896 0.1880570 336.3717 0.2672080 336.8538 0.5680050 337.3359 0.9182700 337.8180 1.436363 338.3001 2.096684 338.7823 2.384258 339.2644 2.258938 339.7465 1.948013 340.2286 1.462318 340.7107 0.6724240 341.1928 0.2555160 341.6750 0.4562760 342.1571 1.092587 342.6392 1.493019 343.1213 1.667923 343.6034 1.576698 344.0855 1.086880 344.5677 0.2205660 345.0498 0.5532910 345.5319 1.156555 346.0140 1.673199 346.4961 2.285889 346.9782 2.986660 347.4604 3.630676 347.9425 4.019432 348.4246 4.265358 348.9067 4.859692 349.3888 5.902721 349.8709 6.924362 350.3531 7.224510 350.8352 6.979675 351.3173 6.845551 351.7994 7.265598 352.2815 7.917942 352.7636 8.208050 353.2458 8.135666 353.7279 8.077667 354.2100 8.460720 354.6921 9.059128 355.1742 9.472328 355.6563 9.468399 356.1385 9.349033 356.6206 9.347740 357.1027 9.464760 357.5848 9.699284 358.0669 10.14238 358.5490 10.65770 359.0312 11.10770 359.5133 11.43924 359.9954 11.77358 360.4775 12.21885 360.9596 12.72092 361.4417 13.15781 361.9239 13.38795 362.4060 13.61582 362.8881 13.96064 363.3702 14.45196 363.8523 14.96896 364.3344 15.64296 364.8166 16.26332 365.2987 16.59176 365.7808 16.10438 366.2629 15.77998 366.7450 16.09657 367.2271 17.04997 367.7093 17.47412 368.1914 16.95100 368.6735 16.03492 369.1556 15.07571 369.6377 14.19232 370.1198 13.15651 370.6020 11.79726 371.0841 10.25562 371.5662 9.053677 372.0483 8.430489 372.5304 7.872662 373.0125 7.172695 373.4947 6.293228 373.9768 5.385113 374.4589 4.413250 374.9410 3.430237 375.4231 2.508167 375.9052 1.593327 376.3874 0.8798070 376.8695 0.4993970 377.3516 0.4365580 377.8337 0.1766850 378.3158 0.3530500 378.7979 0.8865740 379.2801 1.121841 379.7622 1.045971 380.2443 1.008297 380.7264 1.106880 381.2085 1.261505 381.6906 1.239529 382.1728 1.038902 382.6549 0.8061520 383.1370 0.6644330 383.6191 0.5792160 384.1012 0.3902320 384.5833 4.6989001E-02 385.0655 0.2891500 385.5476 0.3729550 386.0297 0.2576710 386.5118 0.1324310 386.9939 3.9558001E-02 387.4760 1.0117000E-02 387.9582 0.1579590 388.4403 0.4884640 388.9224 0.7307930 389.4045 0.5403790 389.8866 0.1560940 390.3687 7.3008999E-02 390.8509 0.1798290 391.3330 0.3972400 391.8151 0.1374360 392.2972 0.4968410 392.7793 1.089523 393.2614 1.516937 393.7436 1.787378 394.2257 1.889025 394.7078 1.734898 395.1899 1.594799 395.6720 1.728348 396.1541 1.926868 396.6363 1.819927 397.1184 0.7949140 397.6005 0.1192740 398.0826 0.4648510 398.5647 0.1370540 399.0468 0.1117210 399.5290 0.5963630 400.0111 1.276264 400.4932 1.933853 400.9753 2.550823 401.4574 3.208691 401.9395 3.815731 402.4217 4.484676 402.9038 5.648293 403.3859 7.470947 403.8680 9.481113 404.3501 11.46843 404.8322 13.38234 405.3144 15.36104 405.7965 17.30269 406.2786 19.40063 406.7607 22.02611 407.2428 25.27106 407.7249 28.54953 408.2071 31.59155 408.6892 34.47415 409.1713 37.66516 409.6534 41.22619 410.1355 44.81471 410.6176 47.96859 411.0998 50.81758 411.5819 54.09562 412.0640 58.07729 412.5461 62.33577 413.0282 66.19968 413.5103 69.73325 413.9925 73.39733 414.4746 77.36968 414.9567 81.71856 415.4388 86.60661 415.9209 92.14325 416.4030 97.71888 416.8852 102.6891 417.3673 107.4392 417.8494 112.6077 418.3315 118.8403 418.8136 125.2867 419.2957 131.5003 419.7779 137.4670 420.2600 143.4989 420.7421 150.0160 421.2242 156.4590 421.7063 162.3544 422.1884 168.1413 422.6706 172.6160 423.1527 175.3828 423.6348 176.6881 424.1169 177.0304 424.5990 176.9247 425.0811 175.4491 425.5633 172.1063 426.0454 166.7059 426.5275 160.8260 427.0096 153.8393 427.4917 146.7980 427.9738 140.5237 428.4560 135.1477 428.9381 130.2623 429.4202 125.7418 429.9023 121.7576 430.3844 118.6918 430.8665 116.6081 431.3487 115.3270 431.8308 114.7458 432.3129 114.8547 432.7950 115.9263 433.2771 118.1365 433.7592 120.8524 434.2414 123.2641 434.7235 125.4147 435.2056 127.8016 435.6877 130.5366 436.1698 133.5850 436.6519 136.9071 437.1341 140.5400 437.6162 144.6836 438.0983 149.8994 438.5804 155.6488 439.0625 160.9287 439.5446 165.4413 440.0268 169.9901 440.5089 174.9351 440.9910 180.4689 441.4731 186.8934 441.9552 195.2204 442.4373 203.8743 442.9195 211.7841 443.4016 218.9243 443.8837 226.3723 444.3658 234.5822 444.8479 243.3035 445.3300 252.2549 445.8122 261.6889 446.2943 271.0750 446.7764 280.6751 447.2585 290.2041 447.7406 298.9428 448.2227 306.2600 448.7049 313.4007 449.1870 321.0104 449.6691 329.3278 450.1512 336.1785 450.6333 341.2629 451.1154 345.1503 451.5976 348.3952 452.0797 351.1286 452.5618 352.8524 453.0439 353.7188 453.5260 353.3916 454.0081 350.8089 454.4903 345.8657 454.9724 339.4545 455.4545 332.1996 455.9366 323.9305 456.4187 312.9541 456.9008 299.1383 457.3830 283.4750 457.8651 267.1982 458.3472 250.1819 458.8293 232.7426 459.3114 214.2849 459.7935 195.9538 460.2757 178.6527 460.7578 162.4568 461.2399 147.3484 461.7220 133.3976 462.2041 120.4579 462.6862 108.5546 463.1684 97.71566 463.6505 87.92441 464.1326 79.51212 464.6147 72.17848 465.0968 65.40055 465.5789 59.07891 466.0611 53.44523 466.5432 48.73254 467.0253 44.88765 467.5074 41.06997 467.9895 36.82123 468.4716 32.87199 468.9538 29.61739 469.4359 27.39381 469.9180 25.19843 470.4001 22.93410 470.8822 20.74124 471.3643 18.83418 471.8465 17.28129 472.3286 15.81266 472.8107 14.36465 473.2928 12.98089 473.7749 11.70866 474.2570 10.55390 474.7392 9.542076 475.2213 8.676014 475.7034 7.963810 476.1855 7.436115 476.6676 7.089725 477.1497 6.815365 477.6319 6.634804 478.1140 6.542694 478.5961 6.413021 479.0782 5.919476 479.5603 5.442432 480.0424 5.569279 480.5246 6.237579 481.0067 6.890759 481.4888 7.059143 481.9709 7.093937 482.4530 7.343330 482.9352 8.004074 483.4173 8.542736 483.8994 8.535133 484.3815 8.340649 484.8636 8.489307 485.3457 9.560417 485.8279 10.54153 486.3100 11.05178 486.7921 11.08941 487.2742 11.44721 487.7563 12.32971 488.2384 13.33041 488.7206 14.20827 489.2027 14.86054 489.6848 15.66303 490.1669 16.64866 490.6490 17.75675 491.1311 18.94634 491.6133 20.22892 492.0954 21.44349 492.5775 22.52588 493.0596 23.50544 493.5417 24.45944 494.0238 25.38075 494.5060 26.42260 494.9881 27.85659 495.4702 29.48190 495.9523 30.80251 496.4344 31.70415 496.9165 32.48724 497.3987 33.54371 497.8808 34.69128 498.3629 35.56654 498.8450 36.07685 499.3271 36.22153 499.8092 35.81467 500.2914 34.95458 500.7735 34.21035 501.2556 33.99947 501.7377 33.81255 502.2198 33.30254 502.7019 32.20816 503.1841 31.36034 503.6662 31.01288 504.1483 30.90229 504.6304 30.73804 505.1125 30.55962 505.5946 30.25628 506.0768 29.69997 506.5589 28.99229 507.0410 28.68109 507.5231 28.89671 508.0052 29.14067 508.4873 29.15531 508.9695 28.93915 509.4516 28.66043 509.9337 28.30507 510.4158 27.94803 510.8979 27.76480 511.3800 27.68107 511.8622 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