#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:10 +0300 (Thu, 26 Apr 2018) $ #$Revision: 588 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000128.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_1000128 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 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 R110129.rod _rod_data_source.block 3500000 _rod_database.code 1000128 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 160.0641 0.0000000E+00 160.5462 9.8820003E-03 161.0283 0.2517170 161.5104 0.6312730 161.9926 0.9954830 162.4747 1.308094 162.9568 1.579924 163.4389 1.793091 163.9210 1.930033 164.4031 2.085855 164.8853 2.273073 165.3674 2.520500 165.8495 2.963541 166.3316 3.642368 166.8137 4.210520 167.2958 4.318924 167.7780 4.074427 168.2601 3.829607 168.7422 3.783720 169.2243 4.005898 169.7064 4.279638 170.1885 4.366577 170.6707 4.494879 171.1528 5.028112 171.6349 5.668266 172.1170 5.809147 172.5991 5.378662 173.0812 4.666183 173.5634 4.046410 174.0455 3.588852 174.5276 3.192730 175.0097 2.854074 175.4918 2.553383 175.9739 2.241636 176.4561 1.853882 176.9382 1.345995 177.4203 0.9057900 177.9024 0.4907020 178.3845 0.1654640 178.8666 8.5910000E-03 179.3488 7.6469998E-03 179.8309 6.2771000E-02 180.3130 4.2996999E-02 180.7951 6.2905997E-02 181.2772 0.2368390 181.7593 0.6199050 182.2415 0.9729100 182.7236 1.123262 183.2057 1.029556 183.6878 0.7557620 184.1699 0.3826160 184.6520 0.2023680 185.1342 0.6549130 185.6163 0.8340720 186.0984 0.9339430 186.5805 1.190329 187.0626 1.681070 187.5447 2.245375 188.0269 2.615738 188.5090 2.789478 188.9911 2.853474 189.4732 2.752314 189.9553 2.562941 190.4374 2.415648 190.9196 2.347000 191.4017 2.332800 191.8838 2.326805 192.3659 2.319069 192.8480 2.374460 193.3301 2.532576 193.8123 2.780228 194.2944 3.071712 194.7765 3.398407 195.2586 3.766939 195.7407 4.177887 196.2228 4.630432 196.7050 5.104465 197.1871 5.564817 197.6692 6.015568 198.1513 6.554312 198.6334 7.278419 199.1155 8.034500 199.5977 8.768627 200.0798 9.465939 200.5619 10.03727 201.0440 10.37176 201.5261 10.44115 202.0082 10.48268 202.4904 10.54672 202.9725 10.57244 203.4546 10.61411 203.9367 10.63899 204.4188 10.46124 204.9009 9.742359 205.3831 8.177685 205.8652 7.020676 206.3473 6.691975 206.8294 6.462910 207.3115 5.880356 207.7936 4.894749 208.2758 3.792852 208.7579 2.972828 209.2400 2.514986 209.7221 2.202587 210.2042 2.140564 210.6863 2.124517 211.1685 2.021235 211.6506 1.802477 212.1327 1.519867 212.6148 1.237860 213.0969 0.9144570 213.5790 0.7017440 214.0612 0.6596780 214.5433 0.6818620 215.0254 0.6704330 215.5075 0.6065140 215.9896 0.5616660 216.4717 0.6420060 216.9539 0.9144690 217.4360 1.168198 217.9181 1.355728 218.4002 1.544374 218.8823 1.829521 219.3644 2.233622 219.8466 2.644360 220.3287 2.874884 220.8108 2.870667 221.2929 3.010546 221.7750 3.431704 222.2571 3.991091 222.7393 4.529245 223.2214 5.017014 223.7035 5.456150 224.1856 5.827709 224.6677 6.137356 225.1498 6.436172 225.6320 6.747293 226.1141 7.053236 226.5962 7.325573 227.0783 7.558865 227.5604 7.758419 228.0425 7.938797 228.5247 8.097538 229.0068 8.206860 229.4889 8.274063 229.9710 8.283279 230.4531 8.199020 230.9352 8.020901 231.4174 7.733482 231.8995 7.242481 232.3816 6.627426 232.8637 6.113775 233.3458 5.852386 233.8279 5.779993 234.3101 5.674311 234.7922 5.466843 235.2743 5.342827 235.7564 5.384098 236.2385 5.561359 236.7206 5.837358 237.2028 6.208780 237.6849 6.672052 238.1670 7.213415 238.6491 7.896500 239.1312 8.544575 239.6133 9.142563 240.0955 9.646986 240.5776 9.997490 241.0597 10.13823 241.5418 10.12247 242.0239 10.16435 242.5060 10.37024 242.9882 10.43912 243.4703 10.35939 243.9524 10.09421 244.4345 9.562511 244.9166 8.681770 245.3987 7.540569 245.8809 6.580353 246.3630 5.976738 246.8451 5.338310 247.3272 4.493176 247.8093 3.591440 248.2914 2.844797 248.7736 2.373827 249.2557 2.112076 249.7378 1.786886 250.2199 1.172089 250.7020 0.7892670 251.1841 0.7289430 251.6663 0.9224870 252.1484 1.342321 252.6305 1.982365 253.1126 2.735962 253.5947 3.275553 254.0768 3.205891 254.5590 3.393944 255.0411 4.071531 255.5232 4.960789 256.0053 5.743567 256.4874 6.283749 256.9695 6.704842 257.4517 7.304054 257.9338 8.312801 258.4159 9.237762 258.8980 10.11578 259.3801 10.89308 259.8622 11.43300 260.3444 11.69773 260.8265 11.92356 261.3086 12.56029 261.7907 13.94107 262.2728 15.25263 262.7549 16.36157 263.2371 17.46236 263.7192 18.72402 264.2013 20.19739 264.6834 21.85329 265.1655 23.67091 265.6476 25.74460 266.1298 27.74709 266.6119 29.53670 267.0940 31.33708 267.5761 33.29131 268.0582 35.44565 268.5403 37.86098 269.0225 40.63712 269.5046 43.85582 269.9867 47.17122 270.4688 50.66771 270.9509 54.19260 271.4330 57.63537 271.9152 60.97298 272.3973 64.24117 272.8794 67.53063 273.3615 70.83376 273.8436 73.57769 274.3257 75.84718 274.8079 77.50542 275.2900 78.59420 275.7721 79.07314 276.2542 78.45091 276.7363 76.17673 277.2184 72.28190 277.7006 68.20490 278.1827 63.85904 278.6648 59.42852 279.1469 54.94882 279.6290 50.47964 280.1111 46.24992 280.5933 42.26080 281.0754 38.71112 281.5575 35.94796 282.0396 34.30399 282.5217 33.01337 283.0038 31.64394 283.4860 30.21752 283.9681 28.84343 284.4502 27.50546 284.9323 26.35261 285.4144 25.62900 285.8965 25.44342 286.3787 25.36227 286.8608 25.14312 287.3429 24.82787 287.8250 24.55525 288.3071 24.34022 288.7892 24.22705 289.2714 24.28131 289.7535 24.52098 290.2356 24.85246 290.7177 25.19734 291.1998 25.59545 291.6819 26.17628 292.1641 27.00415 292.6462 27.96181 293.1283 28.96980 293.6104 30.01712 294.0925 30.99700 294.5746 31.76801 295.0568 32.45604 295.5389 33.36594 296.0210 34.61827 296.5031 35.83418 296.9852 36.76009 297.4673 37.41638 297.9495 37.75287 298.4316 37.71778 298.9137 37.36639 299.3958 36.77205 299.8779 35.93502 300.3600 34.85728 300.8422 33.43301 301.3243 31.77682 301.8064 30.06707 302.2885 28.19664 302.7706 26.40673 303.2527 24.98563 303.7349 23.94253 304.2170 23.05531 304.6991 22.23145 305.1812 21.51252 305.6633 20.91708 306.1454 20.39397 306.6276 20.13834 307.1097 20.44848 307.5918 21.28972 308.0739 22.06033 308.5560 22.47372 309.0381 22.81078 309.5203 23.38861 310.0024 24.23291 310.4845 25.15534 310.9666 26.05562 311.4487 26.93370 311.9308 27.80762 312.4130 28.76538 312.8951 29.57451 313.3772 30.09649 313.8593 30.33671 314.3414 30.24085 314.8235 29.76657 315.3057 28.93869 315.7878 27.76545 316.2699 26.16366 316.7520 24.42279 317.2341 22.60661 317.7162 20.81566 318.1984 19.29714 318.6805 18.22181 319.1626 17.43951 319.6447 16.72256 320.1268 16.06261 320.6089 15.51373 321.0911 15.19270 321.5732 15.00173 322.0553 14.78746 322.5374 14.43842 323.0195 14.05902 323.5016 13.85283 323.9838 13.84252 324.4659 13.89669 324.9480 13.99236 325.4301 14.08444 325.9122 14.12629 326.3943 14.11422 326.8765 14.08830 327.3586 14.12624 327.8407 14.19505 328.3228 14.11316 328.8049 13.84014 329.2870 13.38837 329.7692 12.76446 330.2513 11.98261 330.7334 11.14972 331.2155 10.33713 331.6976 9.511120 332.1797 8.569851 332.6619 7.463575 333.1440 6.352547 333.6261 5.370541 334.1082 4.485085 334.5903 3.624784 335.0724 2.754700 335.5546 1.913231 336.0367 1.142067 336.5188 0.4657400 337.0009 9.8100998E-02 337.4830 0.4938850 337.9651 0.7824150 338.4473 1.088547 338.9294 1.486660 339.4115 1.822567 339.8936 1.990747 340.3757 2.009148 340.8578 1.885349 341.3400 1.519644 341.8221 1.120239 342.3042 1.028681 342.7863 1.292839 343.2684 1.498180 343.7505 1.425720 344.2327 1.159409 344.7148 0.8829350 345.1969 0.6385710 345.6790 0.3803520 346.1611 5.6570000E-03 346.6432 0.4930210 347.1254 0.8449820 347.6075 0.8875060 348.0896 0.8160210 348.5717 0.8635430 349.0538 1.051739 349.5359 1.302200 350.0181 1.594097 350.5002 1.904503 350.9823 2.139988 351.4644 2.219795 351.9465 2.286812 352.4286 2.463886 352.9108 2.723255 353.3929 2.928244 353.8750 2.993784 354.3571 2.981339 354.8392 3.047070 355.3214 3.215136 355.8035 3.391516 356.2856 3.525431 356.7677 3.647795 357.2498 3.806725 357.7319 4.013247 358.2141 4.276049 358.6962 4.628317 359.1783 5.086838 359.6604 5.526741 360.1425 5.893093 360.6246 6.262611 361.1068 6.697292 361.5889 7.208248 362.0710 7.785212 362.5531 8.442368 363.0352 9.177114 363.5173 9.808083 363.9995 10.18922 364.4816 10.62367 364.9637 11.39328 365.4458 12.33993 365.9279 13.03801 366.4100 13.24430 366.8922 13.10442 367.3743 13.08870 367.8564 13.57346 368.3385 13.64762 368.8206 12.92990 369.3027 11.85317 369.7849 10.92959 370.2670 10.30139 370.7491 9.731010 371.2312 8.867718 371.7133 7.536932 372.1954 6.469629 372.6776 5.816174 373.1597 5.280689 373.6418 4.705059 374.1239 4.076405 374.6060 3.431683 375.0881 2.781771 375.5703 2.133299 376.0524 1.624996 376.5345 1.316944 377.0166 1.072601 377.4987 0.9417210 377.9808 0.8346390 378.4630 0.5703890 378.9451 6.3184999E-02 379.4272 0.4983220 379.9093 0.6353610 380.3914 8.8776000E-02 380.8735 0.5109410 381.3557 0.3786200 381.8378 0.1124060 382.3199 5.8980002E-03 382.8020 7.6866001E-02 383.2841 0.2732810 383.7662 0.4927710 384.2484 0.7363590 384.7305 1.003092 385.2126 1.378595 385.6947 1.694519 386.1768 1.809719 386.6589 1.828524 387.1411 1.992092 387.6232 2.494709 388.1053 3.172722 388.5874 3.403883 389.0695 2.930326 389.5516 2.483671 390.0338 2.230474 390.5159 2.076057 390.9980 1.980719 391.4801 1.929459 391.9622 1.812607 392.4443 1.451733 392.9265 0.8152540 393.4086 0.2474440 393.8907 0.1941950 394.3728 0.5640680 394.8549 0.9155460 395.3370 1.254457 395.8192 1.538857 396.3013 1.768341 396.7834 1.933008 397.2655 1.959011 397.7476 1.795067 398.2297 1.577576 398.7119 1.299170 399.1940 1.009586 399.6761 0.8274480 400.1582 0.8712790 400.6403 0.9158360 401.1224 0.6692920 401.6046 0.1281340 402.0867 0.4036330 402.5688 0.7729470 403.0509 1.165352 403.5330 1.789532 404.0151 2.651426 404.4973 3.651838 404.9794 4.781574 405.4615 5.982721 405.9436 7.169113 406.4257 8.323063 406.9078 9.494053 407.3900 10.69724 407.8721 11.93990 408.3542 13.26740 408.8363 14.70343 409.3184 16.20258 409.8005 17.73945 410.2827 19.31077 410.7648 20.83804 411.2469 22.22879 411.7290 23.66736 412.2111 25.65250 412.6932 28.45667 413.1754 31.02888 413.6575 32.82602 414.1396 34.49488 414.6217 36.74739 415.1038 39.68694 415.5859 42.94053 416.0681 46.11993 416.5502 49.18200 417.0323 52.72443 417.5144 56.93036 417.9965 61.33299 418.4786 65.79095 418.9608 70.29395 419.4429 74.90814 419.9250 79.66701 420.4071 84.52174 420.8892 89.35408 421.3713 94.24950 421.8535 98.94194 422.3356 103.9602 422.8177 108.4507 423.2998 111.7786 423.7819 113.8601 424.2640 114.9365 424.7462 115.2808 425.2283 114.9162 425.7104 113.4877 426.1925 110.7088 426.6746 107.0496 427.1567 102.1009 427.6389 96.48969 428.1210 91.11475 428.6031 86.37692 429.0852 82.17311 429.5673 78.25713 430.0494 74.48167 430.5316 71.49294 431.0137 69.87860 431.4958 68.87007 431.9779 68.04559 432.4600 67.37171 432.9421 67.06120 433.4243 67.36063 433.9064 68.17685 434.3885 69.08730 434.8706 70.02045 435.3527 71.18094 435.8348 72.74704 436.3170 74.61698 436.7991 76.66602 437.2812 78.82399 437.7633 81.20116 438.2454 84.02013 438.7275 87.21124 439.2097 90.35735 439.6918 93.24316 440.1739 96.10629 440.6560 99.22023 441.1381 102.5435 441.6202 106.3643 442.1024 110.9478 442.5845 115.9516 443.0666 120.8918 443.5487 125.7564 444.0308 130.9330 444.5129 136.7392 444.9951 143.1199 445.4772 149.7253 445.9593 156.5789 446.4414 163.5468 446.9235 170.5497 447.4056 177.6542 447.8878 185.1092 448.3699 192.9854 448.8520 200.8447 449.3341 208.0778 449.8162 214.5797 450.2983 220.6092 450.7805 226.2268 451.2626 231.3863 451.7447 236.1063 452.2268 240.3421 452.7089 244.0986 453.1910 247.4222 453.6732 250.1450 454.1553 251.5424 454.6374 251.7470 455.1195 250.2327 455.6016 247.3587 456.0837 242.7867 456.5659 236.0331 457.0480 227.0520 457.5301 216.6969 458.0122 205.7280 458.4943 194.1023 458.9764 181.6489 459.4586 167.5885 459.9407 153.8820 460.4228 141.6313 460.9049 130.4095 461.3870 119.3993 461.8691 108.0861 462.3513 97.26255 462.8334 88.09444 463.3155 80.53935 463.7976 73.47672 464.2797 66.48566 464.7618 59.97696 465.2440 54.49348 465.7261 50.01390 466.2082 45.86152 466.6903 41.71193 467.1724 37.79863 467.6545 34.42942 468.1367 31.62901 468.6188 29.17173 469.1009 26.96171 469.5830 24.98701 470.0651 23.11854 470.5472 21.35669 471.0294 19.69992 471.5115 18.16547 471.9936 16.75631 472.4757 15.45861 472.9578 14.27049 473.4399 13.21285 473.9221 12.33319 474.4042 11.67532 474.8863 10.96647 475.3684 10.10303 475.8505 9.269924 476.3326 8.503134 476.8148 7.824219 477.2969 7.268724 477.7790 6.859528 478.2611 6.550262 478.7432 6.224001 479.2253 5.791161 479.7075 5.601519 480.1896 5.984352 480.6717 6.379578 481.1538 6.411135 481.6359 6.142656 482.1180 5.948433 482.6002 6.158670 483.0823 6.598408 483.5644 6.739811 484.0465 6.500385 484.5286 6.301043 485.0107 6.318865 485.4929 6.478863 485.9750 6.695824 486.4571 6.958477 486.9392 7.291243 487.4213 7.755760 487.9034 8.295021 488.3856 8.766954 488.8677 9.144001 489.3498 9.516407 489.8319 9.936975 490.3140 10.42040 490.7961 11.01301 491.2783 11.81162 491.7604 12.62084 492.2425 13.35682 492.7246 14.04339 493.2067 14.71097 493.6888 15.36757 494.1710 16.06496 494.6531 16.87755 495.1352 17.84199 495.6173 18.81363 496.0994 19.85681 496.5815 20.84381 497.0637 21.72437 497.5458 22.49565 498.0279 23.17916 498.5100 23.79366 498.9921 24.29427 499.4742 24.56655 499.9564 24.56110 500.4385 24.44360 500.9206 24.14031 501.4027 23.80826 501.8848 23.58459 502.3669 23.44210 502.8491 23.20973 503.3312 22.68814 503.8133 22.01033 504.2954 21.58250 504.7775 21.47373 505.2596 21.29046 505.7418 20.74952 506.2239 20.08916 506.7060 19.68696 507.1881 19.64369 507.6702 19.51555 508.1523 18.98765 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