#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:58 +0300 (Thu, 24 May 2018) $ #$Revision: 827 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000316.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_1000316 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 R120004 _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 R120004.rod _rod_data_source.block 3500000 _rod_database.code 1000316 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 90.49219 0.0000000E+00 90.97430 0.5005910 91.45642 0.7296330 91.93854 0.6336980 92.42065 0.4309200 92.90277 0.3623580 93.38489 0.2662280 93.86700 0.1659240 94.34912 4.4820001E-03 94.83124 0.1345440 95.31335 5.7381000E-02 95.79547 0.5425190 96.27759 1.057480 96.75970 1.260498 97.24182 1.185902 97.72394 1.140446 98.20605 1.194546 98.68817 1.439671 99.17029 1.684235 99.65240 1.793854 100.1345 1.869801 100.6166 2.447182 101.0988 3.515495 101.5809 4.467999 102.0630 5.122684 102.5451 5.482204 103.0272 5.509220 103.5093 5.028610 103.9915 4.308472 104.4736 4.159046 104.9557 4.937012 105.4378 5.845169 105.9199 6.274576 106.4020 5.892569 106.8842 5.649403 107.3663 5.586376 107.8484 5.679026 108.3305 6.031977 108.8126 7.105639 109.2947 8.171463 109.7769 8.541101 110.2590 7.118958 110.7411 6.144911 111.2232 6.194414 111.7053 7.570053 112.1874 8.624697 112.6696 9.087662 113.1517 9.251312 113.6338 9.438324 114.1159 9.577015 114.5980 9.837418 115.0801 10.34204 115.5623 11.33677 116.0444 12.03523 116.5265 11.96561 117.0086 11.48031 117.4907 11.25619 117.9728 11.76546 118.4550 12.48721 118.9371 13.21331 119.4192 13.58869 119.9013 14.01859 120.3834 15.06018 120.8655 16.49546 121.3477 17.88818 121.8298 18.96819 122.3119 19.78278 122.7940 20.61378 123.2761 21.30357 123.7582 21.66907 124.2404 21.77132 124.7225 21.79873 125.2046 21.62459 125.6867 21.05039 126.1688 20.22079 126.6509 19.39062 127.1331 18.60366 127.6152 17.95542 128.0973 17.61994 128.5794 17.61810 129.0615 17.67321 129.5436 17.55967 130.0258 17.27610 130.5079 16.81888 130.9900 16.06160 131.4721 15.11928 131.9542 14.33092 132.4363 13.71580 132.9185 13.22964 133.4006 12.88222 133.8827 12.67188 134.3648 12.36637 134.8469 11.77927 135.3290 10.93411 135.8112 10.17489 136.2933 9.535367 136.7754 8.988084 137.2575 8.478209 137.7396 8.003617 138.2217 7.572729 138.7039 7.204805 139.1860 6.912539 139.6681 6.591558 140.1502 6.222144 140.6323 5.816822 141.1144 5.438658 141.5966 5.113495 142.0787 4.765432 142.5608 4.317144 143.0429 3.710157 143.5250 3.171612 144.0071 2.757175 144.4893 2.460880 144.9714 2.126726 145.4535 1.773928 145.9356 1.363018 146.4177 0.8421250 146.8998 7.5173996E-02 147.3820 0.5872060 147.8641 1.014538 148.3462 0.8182470 148.8283 0.8790360 149.3104 1.393877 149.7925 2.074860 150.2747 2.598000 150.7568 2.910334 151.2389 3.111101 151.7210 3.210941 152.2031 3.195385 152.6852 3.130407 153.1674 2.917387 153.6495 2.672127 154.1316 2.560112 154.6137 2.907804 155.0958 3.120813 155.5779 2.992821 156.0601 2.389374 156.5422 1.727423 157.0243 0.9881970 157.5064 0.2358470 157.9885 0.4064290 158.4706 0.6494960 158.9528 0.9735340 159.4349 1.597178 159.9170 2.598961 160.3991 3.823814 160.8812 5.262932 161.3633 6.898411 161.8455 8.680044 162.3276 10.53172 162.8097 12.55163 163.2918 14.84195 163.7739 17.40837 164.2560 20.23512 164.7382 23.34709 165.2203 26.72515 165.7024 30.29453 166.1845 34.01150 166.6666 37.93058 167.1487 42.03089 167.6309 46.12126 168.1130 50.64158 168.5951 55.76368 169.0772 61.50935 169.5593 67.87695 170.0414 75.10313 170.5236 82.90862 171.0057 90.87019 171.4878 99.34026 171.9699 107.6531 172.4520 115.6717 172.9341 123.3393 173.4163 129.3525 173.8984 133.5389 174.3805 135.3525 174.8626 133.8489 175.3447 127.5319 175.8268 118.3798 176.3090 107.7841 176.7911 95.81459 177.2732 84.13262 177.7553 73.22172 178.2374 63.25566 178.7195 55.11485 179.2017 49.80143 179.6838 46.17415 180.1659 42.60312 180.6480 38.99894 181.1301 35.92608 181.6122 34.03924 182.0944 33.12738 182.5765 32.53739 183.0586 32.09085 183.5407 31.74209 184.0228 31.37210 184.5049 30.96323 184.9871 30.61578 185.4692 30.52094 185.9513 30.63068 186.4334 30.66631 186.9155 30.48404 187.3976 30.12482 187.8798 29.70174 188.3619 29.19783 188.8440 28.70242 189.3261 28.40524 189.8082 28.28693 190.2903 28.07039 190.7725 27.46999 191.2546 26.59070 191.7367 26.10482 192.2188 26.11536 192.7009 26.32011 193.1830 26.17683 193.6652 25.68374 194.1473 25.23439 194.6294 25.20026 195.1115 25.51931 195.5936 25.30182 196.0757 24.36648 196.5579 23.10970 197.0400 22.27768 197.5221 21.89242 198.0042 21.66311 198.4863 21.49845 198.9684 21.39979 199.4506 21.12074 199.9327 20.55256 200.4148 19.90740 200.8969 19.72298 201.3790 20.08779 201.8611 20.45116 202.3433 20.48554 202.8254 20.16635 203.3075 19.79169 203.7896 19.33461 204.2717 18.86243 204.7538 18.53327 205.2360 18.34557 205.7181 18.29439 206.2002 18.48920 206.6823 18.98689 207.1644 19.16499 207.6465 18.84344 208.1287 18.23635 208.6108 18.00420 209.0929 18.23978 209.5750 18.62495 210.0571 18.95219 210.5392 19.19690 211.0214 19.56989 211.5035 20.15705 211.9856 20.85450 212.4677 21.25954 212.9498 21.17537 213.4319 21.29884 213.9140 22.06908 214.3962 23.54429 214.8783 25.54833 215.3604 28.27715 215.8425 31.50902 216.3246 33.96258 216.8067 34.98107 217.2889 36.49605 217.7710 39.90674 218.2531 45.95978 218.7352 51.71693 219.2173 56.75499 219.6994 61.30467 220.1816 66.41058 220.6637 72.51962 221.1458 78.66700 221.6279 84.05822 222.1100 88.29290 222.5921 92.84196 223.0743 98.05865 223.5564 103.7272 224.0385 108.9268 224.5206 113.1230 225.0027 117.4591 225.4848 122.6822 225.9670 129.0993 226.4491 135.5254 226.9312 141.7426 227.4133 147.8816 227.8954 154.9012 228.3775 162.6327 228.8597 171.2564 229.3418 180.8512 229.8239 191.6296 230.3060 202.9043 230.7881 214.3844 231.2702 226.2992 231.7524 239.1985 232.2345 252.6455 232.7166 267.4120 233.1987 283.9986 233.6808 303.4700 234.1629 322.4282 234.6451 341.5918 235.1272 360.2168 235.6093 376.1391 236.0914 392.5816 236.5735 401.9568 237.0556 399.9662 237.5378 384.9146 238.0199 361.9217 238.5020 328.8450 238.9841 287.8700 239.4662 248.5862 239.9483 209.5361 240.4305 174.1035 240.9126 143.7913 241.3947 119.3216 241.8768 98.38795 242.3589 81.29073 242.8410 67.66135 243.3232 56.02670 243.8053 46.76176 244.2874 39.05426 244.7695 32.64323 245.2516 27.73847 245.7337 23.56741 246.2159 20.22767 246.6980 17.57559 247.1801 15.20530 247.6622 13.04353 248.1443 11.23852 248.6264 9.900085 249.1086 9.159981 249.5907 8.556915 250.0728 8.107323 250.5549 7.784531 251.0370 7.535988 251.5191 7.441841 252.0013 7.299438 252.4834 6.983696 252.9655 6.330460 253.4476 5.919586 253.9297 5.695107 254.4118 5.738335 254.8940 6.305435 255.3761 7.693306 255.8582 9.084511 256.3403 10.07186 256.8224 10.42002 257.3046 11.09859 257.7867 12.02803 258.2688 13.32108 258.7509 15.21738 259.2330 17.77071 259.7151 20.75821 260.1973 24.15729 260.6794 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1.357742 287.6779 2.687202 288.1600 3.773033 288.6422 4.607216 289.1243 5.687775 289.6064 7.324715 290.0885 9.467041 290.5706 11.75988 291.0527 14.12115 291.5349 16.73771 292.0170 20.07422 292.4991 24.04186 292.9812 28.04214 293.4633 31.44440 293.9454 34.56573 294.4276 38.48573 294.9097 43.32033 295.3918 48.51073 295.8739 53.54248 296.3560 58.34329 296.8381 62.82022 297.3203 67.11703 297.8024 70.97038 298.2845 73.78053 298.7666 75.50002 299.2487 76.64091 299.7308 77.36989 300.2130 77.90739 300.6951 78.86203 301.1772 80.31102 301.6593 82.38583 302.1414 85.43639 302.6235 89.42317 303.1057 93.89526 303.5878 97.92180 304.0699 102.1972 304.5520 107.9294 305.0341 115.6917 305.5162 124.8786 305.9984 134.8427 306.4805 145.5930 306.9626 157.8719 307.4447 172.0399 307.9268 188.0025 308.4089 205.6169 308.8911 225.6738 309.3732 246.1148 309.8553 265.9011 310.3374 284.7791 310.8195 302.3050 311.3016 319.8896 311.7838 334.8828 312.2659 345.4919 312.7480 352.0548 313.2301 352.2233 313.7122 343.1552 314.1943 326.7161 314.6765 306.9923 315.1586 283.3596 315.6407 258.8345 316.1228 234.3482 316.6049 209.5053 317.0870 187.5607 317.5692 170.5612 318.0513 157.3484 318.5334 146.4370 319.0155 137.4610 319.4976 130.5635 319.9797 125.9964 320.4619 123.8130 320.9440 123.3849 321.4261 124.9771 321.9082 128.0422 322.3903 132.0641 322.8724 138.0043 323.3546 143.8020 323.8367 148.9732 324.3188 153.5121 324.8009 157.7154 325.2830 163.1197 325.7651 167.2523 326.2473 168.4943 326.7294 165.3132 327.2115 160.8589 327.6936 154.7716 328.1757 147.4434 328.6578 140.5190 329.1400 133.2496 329.6221 127.0266 330.1042 122.3674 330.5863 119.3568 331.0684 117.7365 331.5505 117.4008 332.0327 118.4281 332.5148 121.0260 332.9969 125.4233 333.4790 131.0960 333.9611 137.9183 334.4432 145.8620 334.9254 155.3369 335.4075 166.6290 335.8896 179.0535 336.3717 191.6389 336.8538 204.0402 337.3359 217.2460 337.8180 231.5736 338.3001 246.9224 338.7823 262.2794 339.2644 277.2467 339.7465 292.6905 340.2286 309.5509 340.7107 327.8375 341.1928 346.7363 341.6750 365.6055 342.1571 384.9174 342.6392 404.9351 343.1213 425.5350 343.6034 448.4414 344.0855 475.3658 344.5677 506.0075 345.0498 538.8702 345.5319 573.2424 346.0140 610.2482 346.4961 652.1719 346.9782 698.7577 347.4604 748.9786 347.9425 802.0655 348.4246 858.2382 348.9067 916.9565 349.3888 978.5501 349.8709 1041.017 350.3531 1104.075 350.8352 1166.562 351.3173 1223.904 351.7994 1277.829 352.2815 1324.610 352.7636 1359.131 353.2458 1381.365 353.7279 1390.976 354.2100 1384.051 354.6921 1364.815 355.1742 1340.370 355.6563 1310.459 356.1385 1278.579 356.6206 1245.178 357.1027 1211.279 357.5848 1183.022 358.0669 1163.010 358.5490 1150.556 359.0312 1145.070 359.5133 1146.433 359.9954 1154.658 360.4775 1169.374 360.9596 1191.008 361.4417 1220.135 361.9239 1257.598 362.4060 1302.376 362.8881 1353.578 363.3702 1410.728 363.8523 1476.193 364.3344 1552.169 364.8166 1636.368 365.2987 1726.955 365.7808 1825.182 366.2629 1925.749 366.7450 2029.829 367.2271 2137.242 367.7093 2237.538 368.1914 2335.380 368.6735 2422.038 369.1556 2492.384 369.6377 2554.861 370.1198 2588.244 370.6020 2591.886 371.0841 2565.840 371.5662 2509.391 372.0483 2416.680 372.5304 2301.616 373.0125 2166.875 373.4947 2005.995 373.9768 1845.821 374.4589 1682.135 374.9410 1520.660 375.4231 1372.275 375.9052 1236.242 376.3874 1112.437 376.8695 1002.534 377.3516 905.1790 377.8337 818.6251 378.3158 742.4201 378.7979 674.8907 379.2801 616.0566 379.7622 565.5665 380.2443 520.4733 380.7264 479.8699 381.2085 443.9322 381.6906 413.5004 382.1728 388.7340 382.6549 366.1356 383.1370 343.7575 383.6191 321.7097 384.1012 301.5374 384.5833 283.3914 385.0655 266.3169 385.5476 249.2677 386.0297 232.1963 386.5118 215.8773 386.9939 200.4905 387.4760 185.9719 387.9582 172.1470 388.4403 158.8953 388.9224 146.4292 389.4045 134.9826 389.8866 124.5327 390.3687 114.9915 390.8509 106.6704 391.3330 99.05427 391.8151 91.68642 392.2972 84.65745 392.7793 78.19215 393.2614 72.31099 393.7436 67.12328 394.2257 62.68159 394.7078 59.32166 395.1899 56.00101 395.6720 52.22691 396.1541 48.27681 396.6363 44.59841 397.1184 41.36197 397.6005 38.35422 398.0826 35.47440 398.5647 32.69396 399.0468 30.24329 399.5290 28.27674 400.0111 26.57742 400.4932 24.96782 400.9753 23.46250 401.4574 22.02860 401.9395 20.77817 402.4217 19.62679 402.9038 18.15456 403.3859 16.04128 403.8680 14.07729 404.3501 12.67771 404.8322 12.03150 405.3144 11.32027 405.7965 10.48199 406.2786 9.663933 406.7607 9.257454 407.2428 9.427849 407.7249 9.136444 408.2071 7.831703 408.6892 5.739632 409.1713 4.400597 409.6534 3.853920 410.1355 3.586014 410.6176 3.194931 411.0998 2.695290 411.5819 2.142677 412.0640 1.563171 412.5461 0.9020540 413.0282 0.1242600 413.5103 1.415985 413.9925 2.411728 414.4746 2.617668 414.9567 2.386452 415.4388 2.210670 415.9209 2.120789 416.4030 2.163223 416.8852 2.498749 417.3673 2.973503 417.8494 3.338402 418.3315 3.363762 418.8136 3.361389 419.2957 3.606590 419.7779 4.043976 420.2600 4.333755 420.7421 4.206444 421.2242 3.937187 421.7063 3.699783 422.1884 3.422768 422.6706 3.366699 423.1527 3.784058 423.6348 4.443596 424.1169 4.911812 424.5990 5.045105 425.0811 5.064651 425.5633 5.010048 426.0454 4.870972 426.5275 4.759102 427.0096 4.747604 427.4917 4.707916 427.9738 4.528625 428.4560 4.152168 428.9381 3.753784 429.4202 3.314934 429.9023 2.880272 430.3844 2.625702 430.8665 2.642227 431.3487 2.582809 431.8308 2.240044 432.3129 1.599976 432.7950 1.025597 433.2771 0.5690080 433.7592 4.5372002E-02 434.2414 0.9103470 434.7235 2.251900 435.2056 3.388992 435.6877 4.022018 436.1698 4.411446 436.6519 5.067810 437.1341 5.993225 437.6162 7.155403 438.0983 8.711433 438.5804 10.45733 439.0625 12.02219 439.5446 13.30792 440.0268 14.53523 440.5089 15.88432 440.9910 17.32659 441.4731 18.77995 441.9552 20.22050 442.4373 21.66396 442.9195 23.03850 443.4016 24.35445 443.8837 25.96721 444.3658 28.17220 444.8479 30.65668 445.3300 33.14681 445.8122 35.48297 446.2943 37.98685 446.7764 40.61959 447.2585 43.46426 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