#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:07 +0300 (Thu, 24 May 2018) $ #$Revision: 813 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000303.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_1000303 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=0.5, run 21 ; _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 'Al2.08 Ca2 Fe0.39 H Mn0.53 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 115.455 _cell_angle_gamma 90 _cell_length_a 8.8904 _cell_length_b 5.6606 _cell_length_c 10.1760 _cell_volume 462.393 _exptl_crystal_density_diffrn 3.451 _cod_original_formula_sum 'Ca2 Al2.08 Fe.39 Mn.53 Si3 O13 H' _cod_database_code 9015710 _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 R110127.rod _rod_data_source.block 3500000 _rod_database.code 1000303 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 9015710 COD http://www.crystallography.net/cod/9015710.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 179.2017 0.0000000E+00 179.6838 2.538330 180.1659 3.742676 180.6480 3.368652 181.1301 2.756165 181.6122 3.903931 182.0944 5.921265 182.5765 7.298218 183.0586 6.831116 183.5407 4.846436 184.0228 3.455444 184.5049 3.420105 184.9871 4.216431 185.4692 4.220398 185.9513 3.448853 186.4334 2.924622 186.9155 3.361877 187.3976 3.890564 187.8798 4.878906 188.3619 6.358765 188.8440 7.415649 189.3261 7.763611 189.8082 7.301758 190.2903 7.093994 190.7725 7.774841 191.2546 9.065002 191.7367 10.77045 192.2188 12.46008 192.7009 13.34100 193.1830 13.35803 193.6652 10.52917 194.1473 7.747253 194.6294 7.628784 195.1115 8.509583 195.5936 8.424744 196.0757 7.188171 196.5579 5.514587 197.0400 4.606018 197.5221 4.533142 198.0042 4.443115 198.4863 3.778442 198.9684 2.530090 199.4506 1.533752 199.9327 0.8753050 200.4148 0.4614260 200.8969 9.8266996E-02 201.3790 0.2020870 201.8611 0.4423220 202.3433 0.5810550 202.8254 0.5989380 203.3075 0.7535400 203.7896 1.187866 204.2717 1.679260 204.7538 1.481018 205.2360 0.3466800 205.7181 0.5199580 206.2002 2.5330000E-02 206.6823 2.440186 207.1644 3.152466 207.6465 1.115173 208.1287 2.360901 208.6108 3.093201 209.0929 0.1619260 209.5750 2.993164 210.0571 4.109192 210.5392 2.708618 211.0214 1.604248 211.5035 1.197144 211.9856 1.187439 212.4677 0.4331670 212.9498 1.315857 213.4319 3.306763 213.9140 5.198914 214.3962 7.092590 214.8783 8.583801 215.3604 9.489624 215.8425 9.993469 216.3246 10.69421 216.8067 11.54285 217.2889 12.69067 217.7710 14.33112 218.2531 16.70569 218.7352 18.80829 219.2173 20.41119 219.6994 21.69055 220.1816 23.34161 220.6637 25.37994 221.1458 27.77985 221.6279 30.60992 222.1100 34.27344 222.5921 37.30109 223.0743 39.28772 223.5564 40.53973 224.0385 42.70544 224.5206 46.06195 225.0027 49.81342 225.4848 53.55237 225.9670 57.40350 226.4491 60.86438 226.9312 63.65839 227.4133 66.02411 227.8954 69.34631 228.3775 73.91699 228.8597 78.90680 229.3418 83.66467 229.8239 87.67249 230.3060 92.62994 230.7881 98.86047 231.2702 106.1481 231.7524 113.1611 232.2345 119.3450 232.7166 125.8433 233.1987 133.3566 233.6808 142.6114 234.1629 151.1204 234.6451 158.3746 235.1272 164.7524 235.6093 172.2249 236.0914 181.6451 236.5735 190.9872 237.0556 199.2673 237.5378 205.9781 238.0199 212.2203 238.5020 217.7592 238.9841 222.9194 239.4662 228.7930 239.9483 235.9208 240.4305 243.1040 240.9126 249.6075 241.3947 254.4415 241.8768 260.9470 242.3589 270.1684 242.8410 281.0974 243.3232 290.2383 243.8053 296.4996 244.2874 302.3876 244.7695 308.9514 245.2516 315.9250 245.7337 324.2793 246.2159 334.5762 246.6980 346.2119 247.1801 357.0046 247.6622 366.5334 248.1443 375.9519 248.6264 385.7599 249.1086 396.4269 249.5907 406.6388 250.0728 416.3754 250.5549 425.6015 251.0370 434.3790 251.5191 443.2908 252.0013 450.9243 252.4834 456.8497 252.9655 461.2715 253.4476 463.4973 253.9297 463.3040 254.4118 461.0032 254.8940 457.3752 255.3761 452.7195 255.8582 446.2321 256.3403 437.3068 256.8224 425.1721 257.3046 413.1313 257.7867 401.6470 258.2688 390.0596 258.7509 376.9388 259.2330 361.6393 259.7151 346.3492 260.1973 331.7052 260.6794 317.9200 261.1615 304.9089 261.6436 292.7172 262.1257 281.3752 262.6078 271.0869 263.0900 262.1562 263.5721 253.9383 264.0542 246.3196 264.5363 239.1725 265.0184 232.4244 265.5005 225.9804 265.9827 220.1904 266.4648 215.5367 266.9469 212.2465 267.4290 209.4544 267.9111 207.2001 268.3932 205.6702 268.8754 203.3817 269.3575 200.0635 269.8396 196.2737 270.3217 192.7173 270.8038 189.3533 271.2859 186.2327 271.7681 183.3234 272.2502 180.6276 272.7323 178.5211 273.2144 177.2089 273.6965 176.1042 274.1786 174.7108 274.6608 173.0808 275.1429 170.8521 275.6250 167.9288 276.1071 164.3501 276.5892 160.2747 277.0714 155.8386 277.5535 150.6810 278.0356 143.9918 278.5177 135.5201 278.9998 128.1558 279.4819 122.8669 279.9641 119.0334 280.4462 114.0546 280.9283 107.6799 281.4104 101.1617 281.8925 95.42810 282.3746 90.48877 282.8568 85.92487 283.3389 81.87537 283.8210 78.03229 284.3031 73.23352 284.7852 67.33081 285.2673 61.82501 285.7495 57.92969 286.2316 55.54395 286.7137 53.15973 287.1958 50.55347 287.6779 47.93201 288.1600 45.73737 288.6422 43.96991 289.1243 42.33130 289.6064 40.60486 290.0885 38.82178 290.5706 37.17175 291.0527 35.54700 291.5349 34.29932 292.0170 34.44177 292.4991 35.80359 292.9812 36.68036 293.4633 35.58429 293.9454 33.20892 294.4276 31.86456 294.9097 31.80847 295.3918 32.23724 295.8739 32.32941 296.3560 32.09314 296.8381 31.56390 297.3203 30.53741 297.8024 29.27802 298.2845 28.51154 298.7666 28.32764 299.2487 27.87244 299.7308 26.06268 300.2130 23.24146 300.6951 20.41797 301.1772 17.96783 301.6593 15.76227 302.1414 13.55713 302.6235 11.36914 303.1057 9.345337 303.5878 7.679871 304.0699 6.270813 304.5520 4.993591 305.0341 4.128235 305.5162 3.090393 305.9984 0.7566530 306.4805 2.604065 306.9626 5.297913 307.4447 5.648438 307.9268 4.781128 308.4089 4.248291 308.8911 5.028870 309.3732 5.349182 309.8553 2.994568 310.3374 1.218689 310.8195 4.579163 311.3016 4.905457 311.7838 3.975647 312.2659 3.288696 312.7480 3.053528 313.2301 3.271545 313.7122 3.686523 314.1943 4.545410 314.6765 6.365723 315.1586 10.67896 315.6407 15.10767 316.1228 17.94849 316.6049 18.53613 317.0870 19.42456 317.5692 21.91199 318.0513 25.33771 318.5334 28.76691 319.0155 31.71112 319.4976 34.75989 319.9797 38.19586 320.4619 42.06891 320.9440 45.94458 321.4261 49.72339 321.9082 53.38556 322.3903 56.89417 322.8724 59.83496 323.3546 63.00751 323.8367 66.70148 324.3188 70.89801 324.8009 75.07892 325.2830 79.25391 325.7651 83.30383 326.2473 87.14465 326.7294 90.73395 327.2115 94.19995 327.6936 97.44312 328.1757 100.5418 328.6578 103.9498 329.1400 107.3971 329.6221 111.4246 330.1042 116.2912 330.5863 122.0392 331.0684 128.6304 331.5505 136.4136 332.0327 144.9209 332.5148 153.0284 332.9969 160.3660 333.4790 167.7388 333.9611 175.4114 334.4432 183.2363 334.9254 191.9540 335.4075 202.1298 335.8896 212.5554 336.3717 221.4871 336.8538 228.3726 337.3359 234.8290 337.8180 241.0753 338.3001 247.0985 338.7823 253.6654 339.2644 260.9893 339.7465 268.3527 340.2286 275.2041 340.7107 281.5742 341.1928 287.0538 341.6750 291.3135 342.1571 294.7548 342.6392 298.4051 343.1213 302.3107 343.6034 306.1396 344.0855 309.5346 344.5677 312.5432 345.0498 316.4893 345.5319 321.6772 346.0140 327.5554 346.4961 333.0219 346.9782 338.0656 347.4604 343.3682 347.9425 349.1385 348.4246 355.5159 348.9067 363.1355 349.3888 372.2855 349.8709 381.0997 350.3531 388.0725 350.8352 393.0321 351.3173 395.3170 351.7994 393.9366 352.2815 389.8618 352.7636 384.8836 353.2458 378.9380 353.7279 370.8625 354.2100 359.2193 354.6921 344.7806 355.1742 329.1336 355.6563 312.7977 356.1385 295.4036 356.6206 275.6900 357.1027 254.0821 357.5848 233.2798 358.0669 214.6011 358.5490 197.4141 359.0312 181.1567 359.5133 165.4408 359.9954 150.8934 360.4775 138.0706 360.9596 126.6152 361.4417 115.9662 361.9239 105.9706 362.4060 96.54657 362.8881 87.49493 363.3702 78.64929 363.8523 71.00098 364.3344 65.56891 364.8166 61.21558 365.2987 56.65436 365.7808 50.77936 366.2629 45.62927 366.7450 42.05157 367.2271 40.04980 367.7093 37.81116 368.1914 34.47540 368.6735 31.18890 369.1556 28.69684 369.6377 27.77338 370.1198 26.76233 370.6020 25.61951 371.0841 24.33508 371.5662 22.86169 372.0483 20.96747 372.5304 19.17017 373.0125 17.70282 373.4947 16.71558 373.9768 15.62994 374.4589 14.34882 374.9410 13.03241 375.4231 11.97784 375.9052 11.26489 376.3874 10.60309 376.8695 9.864441 377.3516 9.065979 377.8337 8.811523 378.3158 9.285461 378.7979 9.841553 379.2801 9.685303 379.7622 8.771240 380.2443 8.254944 380.7264 8.273682 381.2085 8.899963 381.6906 10.66693 382.1728 13.58612 382.6549 16.27850 383.1370 17.36328 383.6191 17.31732 384.1012 18.06787 384.5833 19.89062 385.0655 22.21039 385.5476 24.39392 386.0297 26.45477 386.5118 28.36102 386.9939 30.26910 387.4760 31.96820 387.9582 33.18134 388.4403 33.91943 388.9224 34.23029 389.4045 33.89972 389.8866 33.25391 390.3687 32.76788 390.8509 32.96033 391.3330 33.00671 391.8151 32.39081 392.2972 31.15753 392.7793 29.46875 393.2614 26.47833 393.7436 23.66077 394.2257 22.25195 394.7078 23.31769 395.1899 23.71277 395.6720 21.71893 396.1541 18.44080 396.6363 15.65820 397.1184 14.38989 397.6005 13.12598 398.0826 11.39923 398.5647 9.160034 399.0468 6.635193 399.5290 3.177002 400.0111 0.1837770 400.4932 2.616211 400.9753 3.318298 401.4574 4.165466 401.9395 5.389221 402.4217 6.889404 402.9038 8.188782 403.3859 9.276062 403.8680 10.17346 404.3501 10.82361 404.8322 11.06030 405.3144 11.68060 405.7965 12.90240 406.2786 14.24365 406.7607 14.87811 407.2428 14.70532 407.7249 14.39667 408.2071 14.24750 408.6892 14.17230 409.1713 13.68616 409.6534 12.81580 410.1355 11.36328 410.6176 9.121460 411.0998 6.128479 411.5819 2.478577 412.0640 2.142151 412.5461 6.856812 413.0282 10.22150 413.5103 12.37842 413.9925 14.26941 414.4746 16.12085 414.9567 18.18469 415.4388 20.97803 415.9209 24.64447 416.4030 28.32050 416.8852 31.07623 417.3673 33.43500 417.8494 36.25360 418.3315 40.16595 418.8136 44.43542 419.2957 48.73096 419.7779 53.02515 420.2600 57.38104 420.7421 61.79645 421.2242 66.30658 421.7063 70.82526 422.1884 75.43372 422.6706 80.05200 423.1527 84.37842 423.6348 88.77112 424.1169 93.90649 424.5990 100.5482 425.0811 107.3646 425.5633 114.0795 426.0454 120.7327 426.5275 126.8676 427.0096 132.3302 427.4917 137.4272 427.9738 142.4167 428.4560 147.2759 428.9381 152.0244 429.4202 156.7180 429.9023 161.2126 430.3844 165.2960 430.8665 168.9619 431.3487 172.1532 431.8308 174.2084 432.3129 174.9436 432.7950 178.4758 433.2771 185.4423 433.7592 193.6258 434.2414 199.9669 434.7235 204.6884 435.2056 210.4142 435.6877 218.1896 436.1698 227.3182 436.6519 236.4954 437.1341 245.7572 437.6162 255.4204 438.0983 266.1417 438.5804 277.4369 439.0625 288.2624 439.5446 298.1473 440.0268 308.5778 440.5089 320.7789 440.9910 334.5575 441.4731 349.2914 441.9552 366.4589 442.4373 383.2390 442.9195 397.3906 443.4016 408.9287 443.8837 421.1705 444.3658 436.0747 444.8479 451.9297 445.3300 467.2142 445.8122 481.2773 446.2943 495.3708 446.7764 510.4000 447.2585 525.6969 447.7406 539.5605 448.2227 551.7236 448.7049 562.6104 449.1870 572.7649 449.6691 582.4880 450.1512 589.2329 450.6333 592.5824 451.1154 593.3837 451.5976 592.3304 452.0797 589.4050 452.5618 584.8524 453.0439 578.7075 453.5260 571.0173 454.0081 561.6799 454.4903 550.7603 454.9724 537.5344 455.4545 520.6642 455.9366 500.7520 456.4187 480.9375 456.9008 461.5067 457.3830 441.7877 457.8651 421.0861 458.3472 399.6591 458.8293 379.3658 459.3114 360.5331 459.7935 343.0322 460.2757 326.3544 460.7578 310.6152 461.2399 296.0470 461.7220 283.4342 462.2041 271.7095 462.6862 259.8762 463.1684 247.5837 463.6505 236.1157 464.1326 226.4267 464.6147 218.0708 465.0968 210.3258 465.5789 203.2031 466.0611 196.6605 466.5432 190.6501 467.0253 185.2333 467.5074 180.4443 467.9895 176.1802 468.4716 172.7708 468.9538 170.4985 469.4359 169.9993 469.9180 169.3783 470.4001 168.1724 470.8822 166.8179 471.3643 166.2740 471.8465 166.9706 472.3286 167.1419 472.8107 166.1409 473.2928 164.2177 473.7749 162.8320 474.2570 162.0638 474.7392 161.4156 475.2213 160.5788 475.7034 159.5578 476.1855 158.3386 476.6676 156.8790 477.1497 155.3972 477.6319 154.2621 478.1140 153.3838 478.5961 152.4681 479.0782 151.3622 479.5603 150.1771 480.0424 149.2527 480.5246 148.4920 481.0067 147.2490 481.4888 143.8206 481.9709 140.4444 482.4530 139.4395 482.9352 142.3756 483.4173 144.6199 483.8994 144.0889 484.3815 141.8887 484.8636 139.6360 485.3457 137.3699 485.8279 135.2538 486.3100 133.7866 486.7921 132.9142 487.2742 130.4160 487.7563 124.8741 488.2384 119.1812 488.7206 115.1030 489.2027 113.5699 489.6848 110.8703 490.1669 106.6740 490.6490 101.9072 491.1311 97.52850 491.6133 93.40729 492.0954 90.07538 492.5775 87.95404 493.0596 86.62964 493.5417 84.42090 494.0238 81.31445 494.5060 78.15326 494.9881 75.08649 495.4702 72.46405 495.9523 71.26001 496.4344 71.75336 496.9165 72.94110 497.3987 74.24927 497.8808 75.49884 498.3629 76.32568 498.8450 75.98206 499.3271 75.68774 499.8092 76.32587 500.2914 77.78040 500.7735 79.29541 501.2556 80.25879 501.7377 81.48566 502.2198 83.46802 502.7019 86.43158 503.1841 89.81274 503.6662 94.07440 504.1483 98.52344 504.6304 102.2599 505.1125 104.5189 505.5946 107.2674 506.0768 111.1323 506.5589 115.7556 507.0410 119.1614 507.5231 120.6948 508.0052 122.8055 508.4873 127.5128 508.9695 134.7866 509.4516 139.7068 509.9337 141.9826 510.4158 142.9498 510.8979 143.5676 511.3800 144.0388 511.8622 145.3706 512.3443 148.2080 512.8264 151.4711 513.3085 153.7745 513.7906 155.2985 514.2728 156.6799 514.7549 158.6838 515.2370 160.4537 515.7191 160.9438 516.2012 160.0103 516.6833 159.5072 517.1655 160.6981 517.6476 162.4965 518.1297 163.9965 518.6118 166.0038 519.0939 166.4783 519.5760 164.4735 520.0582 160.7336 520.5403 157.0195 521.0224 153.3179 521.5045 149.7123 521.9866 146.2416 522.4688 142.8835 522.9509 139.4785 523.4330 135.9155 523.9151 132.4708 524.3972 129.2908 524.8793 126.3822 525.3615 123.9188 525.8436 122.0051 526.3257 120.2022 526.8078 118.0612 527.2899 115.5286 527.7720 112.3967 528.2542 108.5105 528.7363 104.0768 529.2184 99.25568 529.7005 94.09808 530.1826 88.63599 530.6647 82.62622 531.1469 76.51581 531.6290 70.73175 532.1111 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