#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:06 +0300 (Thu, 26 Apr 2018) $ #$Revision: 587 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000127.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_1000127 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 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 R110127.rod _rod_data_source.block 3500000 _rod_database.code 1000127 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 92.56775 0.0000000E+00 93.04987 28.08997 93.53198 68.18188 94.01410 93.48328 94.49622 102.9166 94.97833 102.7517 95.46045 97.84692 95.94257 87.36169 96.42468 76.63635 96.90680 67.74866 97.38892 61.12769 97.87103 53.74634 98.35315 47.81860 98.83527 38.03003 99.31738 28.86426 99.79950 20.98999 100.2816 13.82898 100.7637 6.318359 101.2458 0.4976810 101.7280 1.221436 102.2101 1.845093 102.6922 7.121948 103.1743 12.86145 103.6564 18.95007 104.1385 23.15320 104.6207 24.65747 105.1028 25.03687 105.5849 25.94873 106.0670 26.73743 106.5491 26.31860 107.0313 25.22095 107.5134 23.55188 107.9955 21.38501 108.4776 18.31592 108.9597 13.94080 109.4418 9.721680 109.9240 5.758179 110.4061 2.308594 110.8882 0.3593750 111.3703 2.163452 111.8524 3.245972 112.3345 3.941528 112.8167 4.003906 113.2988 3.961670 113.7809 4.112549 114.2630 4.183838 114.7451 3.807007 115.2272 2.736328 115.7094 1.001709 116.1915 0.7675780 116.6736 3.617920 117.1557 5.496338 117.6378 4.928833 118.1199 2.498779 118.6021 0.1993410 119.0842 0.3413090 119.5663 1.096069 120.0484 2.975830 120.5305 5.190918 121.0126 7.856689 121.4948 11.53577 121.9769 16.47705 122.4590 21.00427 122.9411 22.66882 123.4232 22.24512 123.9053 22.09644 124.3875 22.96619 124.8696 24.69177 125.3517 26.84937 125.8338 29.48425 126.3159 32.48035 126.7980 35.68311 127.2802 39.09863 127.7623 42.71655 128.2444 46.80859 128.7265 51.47913 129.2086 55.36633 129.6907 57.00110 130.1729 58.81030 130.6550 62.16150 131.1371 67.09631 131.6192 72.50000 132.1013 76.73364 132.5834 78.90051 133.0656 81.74341 133.5477 85.17773 134.0298 89.24438 134.5119 94.19165 134.9940 100.0421 135.4761 106.3752 135.9583 112.1740 136.4404 116.6388 136.9225 121.5306 137.4046 127.5142 137.8867 133.8910 138.3688 139.7445 138.8510 144.7761 139.3331 148.8142 139.8152 151.1731 140.2973 151.1871 140.7794 150.9399 141.2615 151.6560 141.7437 152.9977 142.2258 153.3662 142.7079 151.4124 143.1900 148.1387 143.6721 145.9325 144.1542 145.7136 144.6364 145.6351 145.1185 143.4569 145.6006 138.5532 146.0827 134.1909 146.5648 133.1165 147.0469 133.8724 147.5291 134.7349 148.0112 134.6534 148.4933 133.8743 148.9754 132.5607 149.4575 130.2683 149.9396 128.2336 150.4218 128.0122 150.9039 128.3380 151.3860 128.6743 151.8681 128.6691 152.3502 128.3578 152.8323 127.9791 153.3145 126.8186 153.7966 126.3334 154.2787 127.2881 154.7608 129.1589 155.2429 130.8248 155.7250 131.3019 156.2072 130.4199 156.6893 131.0143 157.1714 133.5486 157.6535 136.7748 158.1356 140.6394 158.6177 144.8436 159.0999 148.6584 159.5820 151.3024 160.0641 152.5876 160.5462 154.4044 161.0283 156.4791 161.5104 159.2395 161.9926 163.4526 162.4747 169.1776 162.9568 174.9669 163.4389 179.1637 163.9210 181.8542 164.4031 184.2839 164.8853 186.8655 165.3674 189.2495 165.8495 190.9578 166.3316 191.9934 166.8137 192.0754 167.2958 190.8672 167.7780 188.5541 168.2601 185.4668 168.7422 181.5385 169.2243 176.8779 169.7064 172.0192 170.1885 167.1432 170.6707 161.9629 171.1528 156.2957 171.6349 150.1763 172.1170 143.7726 172.5991 137.0487 173.0812 130.0099 173.5634 123.5602 174.0455 118.2755 174.5276 113.1053 175.0097 107.4661 175.4918 101.3899 175.9739 95.37402 176.4561 90.13904 176.9382 86.11743 177.4203 81.54102 177.9024 75.84998 178.3845 70.04993 178.8666 64.39954 179.3488 59.10083 179.8309 54.44702 180.3130 50.96411 180.7951 49.29932 181.2772 47.39258 181.7593 45.36707 182.2415 43.07996 182.7236 40.33167 183.2057 37.11133 183.6878 33.70740 184.1699 30.50903 184.6520 27.29272 185.1342 24.92249 185.6163 23.90344 186.0984 23.52856 186.5805 23.19885 187.0626 22.76538 187.5447 22.05713 188.0269 20.61511 188.5090 18.21948 188.9911 16.11426 189.4732 14.79846 189.9553 13.91626 190.4374 12.83484 190.9196 11.30005 191.4017 9.636108 191.8838 8.249878 192.3659 7.118530 192.8480 6.188965 193.3301 5.554321 193.8123 5.124878 194.2944 4.564209 194.7765 3.740723 195.2586 2.800171 195.7407 1.891602 196.2228 1.018066 196.7050 0.1794430 197.1871 0.7681880 197.6692 1.799194 198.1513 2.293701 198.6334 1.513306 199.1155 0.6604000 199.5977 0.4689940 200.0798 0.9920650 200.5619 1.978516 201.0440 3.528931 201.5261 5.883423 202.0082 7.189697 202.4904 6.249634 202.9725 4.849609 203.4546 3.756592 203.9367 3.097534 204.4188 2.633423 204.9009 2.085205 205.3831 1.416138 205.8652 0.7812500 206.3473 0.1468510 206.8294 0.8048100 207.3115 0.6175540 207.7936 0.3875730 208.2758 1.539917 208.7579 1.839478 209.2400 0.7117920 209.7221 3.0884000E-02 210.2042 0.1051030 210.6863 5.8959998E-02 211.1685 0.2055660 211.6506 0.6312260 212.1327 1.288452 212.6148 2.123047 213.0969 3.182617 213.5790 4.341187 214.0612 6.207031 214.5433 7.800537 215.0254 8.153442 215.5075 7.096069 215.9896 5.466431 216.4717 4.432129 216.9539 4.205566 217.4360 4.176758 217.9181 4.557983 218.4002 5.022339 218.8823 5.192261 219.3644 4.974365 219.8466 4.656128 220.3287 4.490601 220.8108 4.333496 221.2929 5.143066 221.7750 7.937256 222.2571 11.43640 222.7393 13.97241 223.2214 15.12134 223.7035 15.78113 224.1856 16.95093 224.6677 18.57495 225.1498 20.47742 225.6320 22.73438 226.1141 25.21716 226.5962 27.80042 227.0783 30.55957 227.5604 33.14197 228.0425 34.74963 228.5247 35.68066 229.0068 37.45508 229.4889 41.25476 229.9710 46.23584 230.4531 50.40417 230.9352 53.10962 231.4174 55.93860 231.8995 60.21936 232.3816 65.56311 232.8637 70.98669 233.3458 76.13867 233.8279 81.01758 234.3101 85.60071 234.7922 89.47229 235.2743 93.71899 235.7564 99.11548 236.2385 105.2637 236.7206 111.4243 237.2028 117.1937 237.6849 122.6132 238.1670 128.0519 238.6491 134.0699 239.1312 139.1672 239.6133 142.1918 240.0955 144.1117 240.5776 146.5698 241.0597 150.4982 241.5418 155.7317 242.0239 161.4194 242.5060 167.7234 242.9882 174.3531 243.4703 181.3253 243.9524 188.5214 244.4345 195.7773 244.9166 202.9645 245.3987 210.1777 245.8809 217.7363 246.3630 225.7548 246.8451 234.0194 247.3272 242.5212 247.8093 251.2173 248.2914 260.0122 248.7736 268.8627 249.2557 277.7896 249.7378 286.8232 250.2199 296.8860 250.7020 305.8738 251.1841 313.3307 251.6663 319.6215 252.1484 325.3538 252.6305 330.8785 253.1126 335.6182 253.5947 337.8184 254.0768 335.6227 254.5590 332.7378 255.0411 329.8229 255.5232 326.1573 256.0053 320.9363 256.4874 313.8995 256.9695 305.3234 257.4517 295.8414 257.9338 283.6462 258.4159 272.5476 258.8980 263.2849 259.3801 254.6899 259.8622 245.6335 260.3444 235.8474 260.8265 225.6289 261.3086 215.4670 261.7907 205.0145 262.2728 195.0002 262.7549 185.1028 263.2371 175.7646 263.7192 167.4724 264.2013 160.3386 264.6834 154.1543 265.1655 148.6285 265.6476 143.8246 266.1298 139.6414 266.6119 136.7958 267.0940 134.3003 267.5761 131.0426 268.0582 126.7919 268.5403 122.3514 269.0225 118.6532 269.5046 115.8899 269.9867 113.2679 270.4688 110.7739 270.9509 108.4326 271.4330 106.2614 271.9152 104.2699 272.3973 102.4774 272.8794 101.0288 273.3615 99.93799 273.8436 98.37122 274.3257 95.99646 274.8079 93.34961 275.2900 90.91956 275.7721 88.69971 276.2542 86.31360 276.7363 83.38269 277.2184 79.98254 277.7006 76.80859 278.1827 73.75537 278.6648 71.02917 279.1469 69.13904 279.6290 67.93860 280.1111 66.18628 280.5933 62.66699 281.0754 58.20959 281.5575 55.59827 282.0396 56.45691 282.5217 57.18542 283.0038 55.26404 283.4860 51.13159 283.9681 46.98499 284.4502 43.57861 284.9323 41.00171 285.4144 39.27722 285.8965 38.63672 286.3787 38.22522 286.8608 37.83740 287.3429 37.36047 287.8250 36.27930 288.3071 34.19775 288.7892 31.74390 289.2714 29.76221 289.7535 28.23877 290.2356 27.09473 290.7177 26.36841 291.1998 25.98962 291.6819 25.85950 292.1641 26.12598 292.6462 26.29114 293.1283 25.86401 293.6104 24.90369 294.0925 23.47693 294.5746 20.48193 295.0568 17.22839 295.5389 16.95154 296.0210 21.00232 296.5031 25.10925 296.9852 24.82104 297.4673 21.53821 297.9495 18.86926 298.4316 18.64124 298.9137 19.44495 299.3958 19.01453 299.8779 17.03088 300.3600 15.14294 300.8422 15.03955 301.3243 15.69592 301.8064 15.28687 302.2885 12.86072 302.7706 9.732056 303.2527 7.365967 303.7349 5.792603 304.2170 4.373901 304.6991 2.528809 305.1812 0.8463130 305.6633 0.2814940 306.1454 1.379395 306.6276 2.555786 307.1097 2.229736 307.5918 0.5004880 308.0739 0.9763180 308.5560 1.615479 309.0381 1.763306 309.5203 1.816772 310.0024 1.776611 310.4845 1.751221 310.9666 1.943359 311.4487 2.263062 311.9308 2.251343 312.4130 1.818970 312.8951 1.013672 313.3772 1.3550000E-02 313.8593 1.276123 314.3414 2.951904 314.8235 5.262817 315.3057 8.043457 315.7878 11.24414 316.2699 15.48218 316.7520 18.57361 317.2341 17.70044 317.7162 14.48267 318.1984 12.41907 318.6805 13.22046 319.1626 15.69116 319.6447 18.19128 320.1268 20.80688 320.6089 23.04431 321.0911 24.22583 321.5732 25.05237 322.0553 26.43604 322.5374 28.61084 323.0195 31.03052 323.5016 33.33875 323.9838 35.60229 324.4659 37.87048 324.9480 40.03296 325.4301 42.30396 325.9122 44.79517 326.3943 47.41663 326.8765 50.47229 327.3586 54.59485 327.8407 59.52673 328.3228 63.68066 328.8049 66.37976 329.2870 68.60681 329.7692 71.32104 330.2513 74.48047 330.7334 77.79895 331.2155 80.86633 331.6976 84.00781 332.1797 88.03125 332.6619 93.12988 333.1440 98.80359 333.6261 105.1620 334.1082 111.8236 334.5903 117.8431 335.0724 122.5137 335.5546 126.5581 336.0367 130.9835 336.5188 135.8428 337.0009 140.4270 337.4830 144.5162 337.9651 147.9583 338.4473 150.3442 338.9294 150.8580 339.4115 151.5337 339.8936 154.3672 340.3757 159.0625 340.8578 163.2837 341.3400 166.0127 341.8221 168.0403 342.3042 170.5322 342.7863 173.4999 343.2684 176.9685 343.7505 180.9908 344.2327 185.4189 344.7148 189.9194 345.1969 194.3091 345.6790 199.3196 346.1611 206.1226 346.6432 214.4451 347.1254 222.9247 347.6075 231.5829 348.0896 239.8385 348.5717 246.8646 349.0538 252.6461 349.5359 257.9052 350.0181 263.3469 350.5002 268.6632 350.9823 272.7390 351.4644 275.7103 351.9465 277.2091 352.4286 277.1658 352.9108 275.5243 353.3929 271.8837 353.8750 265.9062 354.3571 257.7754 354.8392 248.0442 355.3214 236.4558 355.8035 224.2910 356.2856 211.9062 356.7677 199.3356 357.2498 186.5474 357.7319 173.5087 358.2141 160.4677 358.6962 147.4056 359.1783 134.1262 359.6604 122.0477 360.1425 111.3501 360.6246 101.8481 361.1068 93.71606 361.5889 86.81067 362.0710 80.46411 362.5531 74.20129 363.0352 67.99487 363.5173 61.67981 363.9995 54.32886 364.4816 47.74707 364.9637 43.13672 365.4458 40.02100 365.9279 37.06897 366.4100 33.54956 366.8922 29.84741 367.3743 27.30286 367.8564 26.58398 368.3385 25.96960 368.8206 25.20984 369.3027 24.44458 369.7849 24.08972 370.2670 24.21790 370.7491 24.07129 371.2312 22.47351 371.7133 18.63818 372.1954 15.73267 372.6776 14.40869 373.1597 13.40430 373.6418 11.89453 374.1239 9.939331 374.6060 8.120972 375.0881 6.913940 375.5703 6.302612 376.0524 5.479858 376.5345 4.130371 377.0166 2.933838 377.4987 2.198608 377.9808 1.667969 378.4630 0.8266600 378.9451 0.5662840 379.4272 2.053833 379.9093 2.482422 380.3914 0.8426510 380.8735 0.1865230 381.3557 0.1553960 381.8378 0.2017820 382.3199 0.6605220 382.8020 1.014893 383.2841 0.7481690 383.7662 0.8728030 384.2484 4.106934 384.7305 6.887451 385.2126 9.192261 385.6947 11.02075 386.1768 12.08142 386.6589 12.66370 387.1411 13.33521 387.6232 14.48926 388.1053 15.90759 388.5874 16.84351 389.0695 17.28479 389.5516 17.20447 390.0338 16.38831 390.5159 15.24670 390.9980 14.13550 391.4801 13.15369 391.9622 12.21118 392.4443 10.99304 392.9265 9.388428 393.4086 8.678955 393.8907 10.03687 394.3728 11.40125 394.8549 11.65491 395.3370 10.88599 395.8192 9.642456 396.3013 7.980225 396.7834 6.114258 397.2655 4.852661 397.7476 4.432617 398.2297 4.009644 398.7119 3.088013 399.1940 1.909790 399.6761 0.7124020 400.1582 0.5612790 400.6403 1.587280 401.1224 1.767700 401.6046 1.182861 402.0867 1.104736 402.5688 2.090820 403.0509 3.571899 403.5330 5.074646 404.0151 6.630981 404.4973 7.486633 404.9794 6.787170 405.4615 5.324097 405.9436 4.487549 406.4257 4.478394 406.9078 4.759338 407.3900 4.987610 407.8721 5.145325 408.3542 5.198608 408.8363 5.045410 409.3184 4.862671 409.8005 4.928223 410.2827 5.089172 410.7648 4.790588 411.2469 3.741150 411.7290 2.183472 412.2111 0.5666500 412.6932 1.389160 413.1754 2.736023 413.6575 2.254089 414.1396 1.642395 414.6217 3.247803 415.1038 7.253540 415.5859 11.12860 416.0681 12.16821 416.5502 9.971252 417.0323 9.320679 417.5144 10.85742 417.9965 12.98175 418.4786 15.11755 418.9608 17.35583 419.4429 20.12952 419.9250 23.70074 420.4071 27.61139 420.8892 30.54559 421.3713 31.32617 421.8535 32.89648 422.3356 35.72314 422.8177 39.05438 423.2998 42.45807 423.7819 45.80042 424.2640 48.95831 424.7462 51.63098 425.2283 53.72333 425.7104 56.95129 426.1925 63.27899 426.6746 68.61066 427.1567 71.31860 427.6389 72.38330 428.1210 73.21539 428.6031 74.40729 429.0852 76.04749 429.5673 78.46735 430.0494 81.96741 430.5316 85.16980 431.0137 87.18750 431.4958 89.17969 431.9779 92.16394 432.4600 96.09387 432.9421 99.65710 433.4243 101.3848 433.9064 101.8166 434.3885 103.3409 434.8706 106.2904 435.3527 109.8420 435.8348 113.5746 436.3170 117.5072 436.7991 121.7575 437.2812 126.3651 437.7633 131.3006 438.2454 136.7823 438.7275 142.7020 439.2097 148.2468 439.6918 152.7529 440.1739 157.2828 440.6560 163.4615 441.1381 171.3024 441.6202 179.9941 442.1024 189.3820 442.5845 199.3187 443.0666 209.8434 443.5487 220.9102 444.0308 231.7147 444.5129 241.4213 444.9951 250.2598 445.4772 260.7814 445.9593 274.3799 446.4414 287.7073 446.9235 299.4117 447.4056 310.3102 447.8878 321.8267 448.3699 334.4312 448.8520 347.2706 449.3341 359.2192 449.8162 370.4958 450.2983 379.9415 450.7805 387.3792 451.2626 393.4489 451.7447 398.8737 452.2268 403.2516 452.7089 405.6426 453.1910 405.4457 453.6732 402.7048 454.1553 397.4581 454.6374 388.7606 455.1195 378.9582 455.6016 368.9259 456.0837 357.8658 456.5659 344.8149 457.0480 329.6272 457.5301 313.8115 458.0122 298.4559 458.4943 283.5273 458.9764 270.3179 459.4586 259.8838 459.9407 249.8053 460.4228 238.4355 460.9049 226.5087 461.3870 215.3226 461.8691 205.2090 462.3513 196.2653 462.8334 189.2247 463.3155 184.0548 463.7976 178.4982 464.2797 171.4995 464.7618 164.1511 465.2440 157.6019 465.7261 151.7881 466.2082 147.1719 466.6903 144.7321 467.1724 143.1296 467.6545 140.5112 468.1367 136.8181 468.6188 133.5420 469.1009 131.8295 469.5830 131.4044 470.0651 130.6468 470.5472 128.8472 471.0294 127.5907 471.5115 127.5195 471.9936 128.0708 472.4757 128.6688 472.9578 129.1082 473.4399 129.4016 473.9221 129.5842 474.4042 129.6889 474.8863 129.4517 475.3684 129.4706 475.8505 128.5646 476.3326 125.1767 476.8148 120.7900 477.2969 117.9414 477.7790 117.9030 478.2611 119.5605 478.7432 120.5654 479.2253 120.5524 479.7075 120.9346 480.1896 122.8749 480.6717 124.4183 481.1538 124.0781 481.6359 122.2000 482.1180 120.5081 482.6002 120.3633 483.0823 121.1917 483.5644 121.3687 484.0465 120.8190 484.5286 120.0240 485.0107 119.4139 485.4929 118.5889 485.9750 117.0183 486.4571 114.5900 486.9392 111.4680 487.4213 107.1052 487.9034 102.1904 488.3856 98.49347 488.8677 96.36560 489.3498 94.42432 489.8319 91.57068 490.3140 87.81195 490.7961 83.91119 491.2783 79.06750 491.7604 75.00568 492.2425 73.25958 492.7246 72.70032 493.2067 71.04956 493.6888 67.52716 494.1710 63.36566 494.6531 60.60315 495.1352 59.77252 495.6173 58.73383 496.0994 57.31860 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