#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:48:42 +0300 (Thu, 24 May 2018) $ #$Revision: 791 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000286.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_1000286 loop_ _publ_author_name 'Novak, G. A.' 'Gibbs, G. V.' _publ_section_title ; The crystal chemistry of the silicate garnets sample An ; _journal_name_full 'American Mineralogist' _journal_page_first 791 _journal_page_last 823 _journal_volume 56 _journal_year 1971 _chemical_compound_source R100049 _chemical_formula_sum 'Ca3 Fe2 O12 Si3' _chemical_name_mineral Andradite _space_group_IT_number 230 _symmetry_space_group_name_Hall '-I 4bd 2c 3' _symmetry_space_group_name_H-M 'I a -3 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 12.058 _cell_length_b 12.058 _cell_length_c 12.058 _cell_volume 1753.177 _exptl_crystal_density_diffrn 3.851 _cod_original_formula_sum 'Si3 Fe2 Ca3 O12' _cod_database_code 9000239 _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 R100049.rod _rod_data_source.block 3500000 _rod_database.code 1000286 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 9000239 COD http://www.crystallography.net/cod/9000239.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.01007 0.0000000E+00 90.49219 6.529063 90.97430 5.344815 91.45642 4.614058 91.93854 4.063536 92.42065 3.720477 92.90277 3.802252 93.38489 4.375988 93.86700 5.007344 94.34912 5.109247 94.83124 4.749905 95.31335 4.388746 95.79547 4.254280 96.27759 4.325100 96.75970 4.565528 97.24182 5.003283 97.72394 5.539810 98.20605 5.993106 98.68817 6.381063 99.17029 6.708374 99.65240 6.984337 100.1345 7.208706 100.6166 7.655127 101.0988 8.400127 101.5809 9.343226 102.0630 10.02186 102.5451 10.32607 103.0272 10.44586 103.5093 10.59070 103.9915 10.77006 104.4736 10.99140 104.9557 11.18487 105.4378 11.31943 105.9199 11.45383 106.4020 11.76161 106.8842 12.16754 107.3663 12.47962 107.8484 12.63439 108.3305 12.89867 108.8126 13.64460 109.2947 14.74789 109.7769 15.51979 110.2590 16.59830 110.7411 18.05785 111.2232 19.71449 111.7053 21.74335 112.1874 23.54276 112.6696 24.92642 113.1517 25.71854 113.6338 25.57045 114.1159 25.01406 114.5980 24.44568 115.0801 23.62509 115.5623 22.32440 116.0444 20.84372 116.5265 19.41717 117.0086 18.14136 117.4907 16.89358 117.9728 15.53656 118.4550 14.05883 118.9371 12.84029 119.4192 12.24547 119.9013 11.97063 120.3834 11.62339 120.8655 11.17499 121.3477 10.51417 121.8298 9.448168 122.3119 7.879951 122.7940 6.375405 123.2761 5.343194 123.7582 4.675467 124.2404 4.132546 124.7225 3.722414 125.2046 3.320005 125.6867 2.756273 126.1688 1.984396 126.6509 1.108870 127.1331 9.0775996E-02 127.6152 1.003471 128.0973 1.843284 128.5794 1.884701 129.0615 1.494884 129.5436 1.599673 130.0258 2.587440 130.5079 3.956849 130.9900 4.841009 131.4721 5.239758 131.9542 5.419203 132.4363 5.601846 132.9185 5.769794 133.4006 5.791816 133.8827 5.580275 134.3648 5.211360 134.8469 4.962156 135.3290 4.895052 135.8112 4.670250 136.2933 3.810188 136.7754 2.265842 137.2575 0.7524430 137.7396 0.4691390 138.2217 1.373972 138.7039 2.426155 139.1860 3.657957 139.6681 4.987719 140.1502 6.383261 140.6323 7.880047 141.1144 9.253399 141.5966 10.42841 142.0787 11.38889 142.5608 12.17062 143.0429 12.74332 143.5250 13.15745 144.0071 13.47478 144.4893 13.53731 144.9714 13.74369 145.4535 14.19391 145.9356 14.61383 146.4177 15.90938 146.8998 18.58604 147.3820 22.21373 147.8641 25.36216 148.3462 27.11112 148.8283 28.75028 149.3104 30.99011 149.7925 34.09505 150.2747 37.44205 150.7568 41.03665 151.2389 44.85406 151.7210 48.60794 152.2031 52.37827 152.6852 55.99290 153.1674 59.39310 153.6495 62.42223 154.1316 65.35725 154.6137 68.31020 155.0958 71.28724 155.5779 73.93215 156.0601 75.88048 156.5422 77.63211 157.0243 79.58428 157.5064 81.99523 157.9885 84.44102 158.4706 86.70810 158.9528 88.73124 159.4349 91.08732 159.9170 94.06966 160.3991 97.42166 160.8812 100.8465 161.3633 104.0545 161.8455 107.4822 162.3276 111.2652 162.8097 115.3074 163.2918 119.9600 163.7739 125.5945 164.2560 131.6492 164.7382 136.3084 165.2203 140.7622 165.7024 144.9051 166.1845 148.4050 166.6666 151.2018 167.1487 153.5239 167.6309 155.0300 168.1130 156.1820 168.5951 157.9197 169.0772 161.5427 169.5593 165.4965 170.0414 168.3783 170.5236 169.6628 171.0057 170.5714 171.4878 172.0568 171.9699 173.9418 172.4520 175.6339 172.9341 176.3970 173.4163 176.9498 173.8984 178.2364 174.3805 180.8736 174.8626 183.6143 175.3447 185.5349 175.8268 186.6635 176.3090 187.1011 176.7911 187.1566 177.2732 186.5391 177.7553 184.6889 178.2374 181.1515 178.7195 176.6750 179.2017 172.3490 179.6838 168.0628 180.1659 163.0734 180.6480 156.0131 181.1301 147.7916 181.6122 140.4274 182.0944 134.8053 182.5765 130.1288 183.0586 124.8983 183.5407 119.1915 184.0228 113.4883 184.5049 108.2380 184.9871 103.3491 185.4692 98.73106 185.9513 94.29807 186.4334 90.18108 186.9155 86.55853 187.3976 83.42711 187.8798 80.51249 188.3619 77.61716 188.8440 74.75491 189.3261 71.96299 189.8082 69.15966 190.2903 66.42976 190.7725 64.05627 191.2546 62.03891 191.7367 60.36063 192.2188 59.27548 192.7009 58.72129 193.1830 57.60379 193.6652 54.94991 194.1473 51.22562 194.6294 49.46593 195.1115 49.94687 195.5936 51.39053 196.0757 52.25880 196.5579 52.53754 197.0400 52.62155 197.5221 52.53148 198.0042 52.29325 198.4863 52.41794 198.9684 52.99084 199.4506 53.73550 199.9327 54.26152 200.4148 54.57155 200.8969 54.70222 201.3790 54.46717 201.8611 53.82768 202.3433 53.96945 202.8254 55.04005 203.3075 56.65379 203.7896 58.21358 204.2717 59.75244 204.7538 61.11694 205.2360 62.14226 205.7181 62.75853 206.2002 63.70718 206.6823 65.13788 207.1644 66.71848 207.6465 67.68269 208.1287 67.74158 208.6108 68.14503 209.0929 69.58167 209.5750 72.30835 210.0571 74.72812 210.5392 76.78014 211.0214 78.60803 211.5035 80.44014 211.9856 82.14777 212.4677 84.15645 212.9498 86.72144 213.4319 89.95580 213.9140 93.33698 214.3962 96.99774 214.8783 100.7306 215.3604 103.8279 215.8425 105.8345 216.3246 108.2809 216.8067 112.0586 217.2889 117.6231 217.7710 122.7352 218.2531 127.2352 218.7352 131.3474 219.2173 135.6367 219.6994 140.0475 220.1816 144.5963 220.6637 149.3237 221.1458 154.1044 221.6279 159.6030 222.1100 166.0749 222.5921 173.1528 223.0743 180.0729 223.5564 186.5650 224.0385 193.2287 224.5206 200.2115 225.0027 207.6674 225.4848 215.3714 225.9670 223.0684 226.4491 230.9637 226.9312 239.9749 227.4133 250.7399 227.8954 261.5172 228.3775 271.1299 228.8597 278.8699 229.3418 287.7910 229.8239 298.5135 230.3060 310.2953 230.7881 320.7280 231.2702 329.5098 231.7524 337.5851 232.2345 345.5638 232.7166 354.9532 233.1987 361.0206 233.6808 363.4010 234.1629 362.5551 234.6451 359.8221 235.1272 356.1458 235.6093 349.2243 236.0914 337.7043 236.5735 319.6250 237.0556 301.4250 237.5378 282.9225 238.0199 264.3727 238.5020 246.4644 238.9841 229.0488 239.4662 212.2025 239.9483 195.7588 240.4305 179.4057 240.9126 164.5139 241.3947 151.0400 241.8768 139.0207 242.3589 128.6697 242.8410 120.5925 243.3232 113.2475 243.8053 105.9613 244.2874 98.14056 244.7695 91.81924 245.2516 87.34433 245.7337 84.18811 246.2159 81.24216 246.6980 78.65341 247.1801 76.04053 247.6622 73.15227 248.1443 69.64923 248.6264 66.85623 249.1086 65.04280 249.5907 63.79259 250.0728 62.17781 250.5549 59.74338 251.0370 57.71255 251.5191 56.68327 252.0013 57.11746 252.4834 56.97333 252.9655 55.94574 253.4476 54.51511 253.9297 53.63710 254.4118 53.70425 254.8940 53.59044 255.3761 52.84084 255.8582 51.25800 256.3403 49.80910 256.8224 48.49986 257.3046 47.32133 257.7867 46.26666 258.2688 45.30127 258.7509 44.54059 259.2330 44.17053 259.7151 44.37688 260.1973 43.88626 260.6794 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5.963745 287.6779 8.345413 288.1600 10.87120 288.6422 13.22176 289.1243 15.50343 289.6064 18.26749 290.0885 21.61992 290.5706 25.40442 291.0527 29.48517 291.5349 33.84596 292.0170 38.25081 292.4991 42.28810 292.9812 46.22241 293.4633 50.96472 293.9454 56.71248 294.4276 62.78014 294.9097 68.09567 295.3918 72.82637 295.8739 77.74443 296.3560 83.41527 296.8381 89.50609 297.3203 95.02527 297.8024 99.88315 298.2845 104.5789 298.7666 109.5888 299.2487 114.8133 299.7308 120.1161 300.2130 125.6936 300.6951 131.2188 301.1772 135.9100 301.6593 139.7514 302.1414 143.9379 302.6235 149.3064 303.1057 155.7649 303.5878 162.9832 304.0699 170.9923 304.5520 179.7080 305.0341 189.1179 305.5162 199.1648 305.9984 209.8153 306.4805 220.7295 306.9626 232.2390 307.4447 244.7674 307.9268 259.6480 308.4089 274.1800 308.8911 286.2210 309.3732 295.9620 309.8553 304.2021 310.3374 311.8598 310.8195 318.0606 311.3016 321.8620 311.7838 323.0822 312.2659 321.8723 312.7480 318.3176 313.2301 312.4075 313.7122 304.0763 314.1943 291.8445 314.6765 278.0336 315.1586 264.0439 315.6407 249.9682 316.1228 236.2564 316.6049 222.7412 317.0870 209.8374 317.5692 198.4153 318.0513 188.9265 318.5334 180.7248 319.0155 173.2825 319.4976 166.3085 319.9797 161.3733 320.4619 159.6025 320.9440 159.9078 321.4261 161.0777 321.9082 162.7162 322.3903 165.2613 322.8724 169.1487 323.3546 174.4052 323.8367 179.5908 324.3188 184.3655 324.8009 189.0368 325.2830 193.7842 325.7651 200.2116 326.2473 205.0377 326.7294 207.6645 327.2115 208.2135 327.6936 207.6291 328.1757 205.4798 328.6578 202.5481 329.1400 199.1609 329.6221 194.7140 330.1042 190.6570 330.5863 186.6801 331.0684 183.0723 331.5505 180.7248 332.0327 179.7688 332.5148 179.8999 332.9969 181.1188 333.4790 183.6723 333.9611 186.4341 334.4432 189.3547 334.9254 192.5827 335.4075 196.1838 335.8896 199.8206 336.3717 204.5739 336.8538 211.0514 337.3359 219.5779 337.8180 227.0685 338.3001 232.9219 338.7823 238.7175 339.2644 246.2344 339.7465 255.8376 340.2286 265.6769 340.7107 275.2338 341.1928 284.7094 341.6750 293.9856 342.1571 302.8378 342.6392 312.8015 343.1213 325.9304 343.6034 342.1281 344.0855 357.5192 344.5677 370.9205 345.0498 383.5487 345.5319 397.7947 346.0140 413.6570 346.4961 431.0723 346.9782 450.0042 347.4604 470.5614 347.9425 492.3976 348.4246 515.7775 348.9067 540.2623 349.3888 565.4073 349.8709 591.2394 350.3531 617.8629 350.8352 645.2496 351.3173 673.8899 351.7994 702.8636 352.2815 733.6735 352.7636 764.9862 353.2458 796.9659 353.7279 828.8596 354.2100 858.9842 354.6921 884.7043 355.1742 909.5799 355.6563 938.2590 356.1385 970.2936 356.6206 1002.296 357.1027 1030.443 357.5848 1057.713 358.0669 1087.955 358.5490 1122.190 359.0312 1159.403 359.5133 1198.290 359.9954 1239.608 360.4775 1286.295 360.9596 1341.257 361.4417 1401.118 361.9239 1463.332 362.4060 1525.688 362.8881 1595.461 363.3702 1676.790 363.8523 1766.897 364.3344 1861.629 364.8166 1961.505 365.2987 2065.300 365.7808 2172.001 366.2629 2283.228 366.7450 2391.178 367.2271 2501.710 367.7093 2605.117 368.1914 2692.773 368.6735 2773.066 369.1556 2827.597 369.6377 2854.572 370.1198 2854.542 370.6020 2824.000 371.0841 2758.199 371.5662 2665.802 372.0483 2551.219 372.5304 2404.986 373.0125 2251.899 373.4947 2089.606 373.9768 1923.290 374.4589 1761.745 374.9410 1601.929 375.4231 1452.371 375.9052 1315.071 376.3874 1189.740 376.8695 1075.249 377.3516 970.4122 377.8337 876.6215 378.3158 793.2476 378.7979 720.4269 379.2801 655.1846 379.7622 596.5075 380.2443 544.5295 380.7264 497.5781 381.2085 456.0010 381.6906 418.7100 382.1728 385.6580 382.6549 356.2509 383.1370 328.7401 383.6191 302.5005 384.1012 278.0812 384.5833 255.7801 385.0655 235.6101 385.5476 217.7166 386.0297 202.4769 386.5118 189.2151 386.9939 176.3936 387.4760 163.9489 387.9582 152.1277 388.4403 140.7031 388.9224 129.9577 389.4045 120.5392 389.8866 113.5508 390.3687 107.2937 390.8509 100.2330 391.3330 92.49988 391.8151 85.30078 392.2972 79.86971 392.7793 75.15762 393.2614 70.08325 393.7436 63.82520 394.2257 58.04053 394.7078 53.63364 395.1899 50.29655 395.6720 47.22089 396.1541 44.22830 396.6363 41.38013 397.1184 38.75702 397.6005 36.48454 398.0826 34.06947 398.5647 31.19516 399.0468 28.22253 399.5290 25.58881 400.0111 23.46921 400.4932 21.53680 400.9753 19.75665 401.4574 18.12016 401.9395 16.59329 402.4217 15.07295 402.9038 13.74977 403.3859 12.78424 403.8680 12.36119 404.3501 11.98244 404.8322 11.54263 405.3144 11.07516 405.7965 10.82530 406.2786 10.90819 406.7607 10.71848 407.2428 9.807480 407.7249 8.117050 408.2071 7.186005 408.6892 7.106705 409.1713 7.303482 409.6534 7.011734 410.1355 6.274933 410.6176 5.797195 411.0998 5.955704 411.5819 6.344696 412.0640 5.986038 412.5461 4.915848 413.0282 3.795914 413.5103 3.146423 413.9925 2.824249 414.4746 2.558487 414.9567 2.344101 415.4388 2.057022 415.9209 1.388763 416.4030 0.5293880 416.8852 7.1883999E-02 417.3673 0.2376400 417.8494 0.6299290 418.3315 0.2708440 418.8136 0.8926390 419.2957 1.942520 419.7779 2.403549 420.2600 2.472519 420.7421 2.334396 421.2242 1.422043 421.7063 0.9608610 422.1884 1.621262 422.6706 3.114883 423.1527 4.385239 423.6348 4.936920 424.1169 5.397125 424.5990 6.147232 425.0811 7.662537 425.5633 8.403351 426.0454 7.645920 426.5275 6.376740 427.0096 5.874496 427.4917 6.837555 427.9738 7.505920 428.4560 7.427719 428.9381 6.643005 429.4202 6.063278 429.9023 5.738525 430.3844 5.538269 430.8665 5.439056 431.3487 5.498978 431.8308 5.327789 432.3129 4.920471 432.7950 4.234360 433.2771 3.020966 433.7592 1.263092 434.2414 0.3100280 434.7235 1.264969 435.2056 1.744476 435.6877 2.270340 436.1698 2.830688 436.6519 3.534576 437.1341 4.571213 437.6162 5.830444 438.0983 7.042847 438.5804 8.091797 439.0625 9.126297 439.5446 10.45496 440.0268 11.95853 440.5089 13.19826 440.9910 13.50424 441.4731 13.67787 441.9552 14.50932 442.4373 16.18524 442.9195 17.94478 443.4016 19.03548 443.8837 20.10989 444.3658 21.96165 444.8479 25.83755 445.3300 29.50810 445.8122 32.12405 446.2943 33.78493 446.7764 35.69823 447.2585 37.49655 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