#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:49 +0300 (Thu, 24 May 2018) $ #$Revision: 909 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000386.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_1000386 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 R100138 _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 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 R100138.rod _rod_data_source.block 3500000 _rod_database.code 1000386 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 90.60547 0.0000000E+00 91.08759 5.310974 91.56970 9.917648 92.05182 11.09136 92.53394 10.24427 93.01605 8.763672 93.49817 7.186844 93.98029 5.549477 94.46240 4.194359 94.94452 3.435394 95.42664 3.401146 95.90874 3.732777 96.39086 4.476147 96.87298 5.009731 97.35509 5.304867 97.83721 5.820137 98.31933 5.457241 98.80145 3.527874 99.28356 1.529934 99.76568 0.5883450 100.2478 0.2100790 100.7299 0.4464990 101.2120 1.119076 101.6941 0.9970360 102.1763 1.259418 102.6584 2.338409 103.1405 3.453098 103.6226 4.085606 104.1047 3.797482 104.5868 2.780148 105.0690 2.195217 105.5511 2.348335 106.0332 2.486603 106.5153 2.235115 106.9974 1.601189 107.4795 0.9092030 107.9617 0.2927440 108.4438 0.2100140 108.9259 0.4386900 109.4080 0.1389060 109.8901 0.3076690 110.3722 0.3231620 110.8544 0.2625010 111.3365 0.8085350 111.8186 0.8638710 112.3007 0.6258950 112.7828 0.3303340 113.2649 0.3096030 113.7471 0.5784420 114.2292 0.5765720 114.7113 2.9496999E-02 115.1934 0.5542340 115.6755 1.041317 116.1576 1.413618 116.6397 1.702030 117.1219 1.914034 117.6040 1.839743 118.0861 1.756701 118.5682 1.597620 119.0503 1.508703 119.5324 1.666870 120.0146 2.066582 120.4967 2.462599 120.9788 2.568268 121.4609 2.128706 121.9430 1.811102 122.4251 1.662500 122.9073 1.610029 123.3894 1.574362 123.8715 1.503548 124.3536 1.440964 124.8357 1.537680 125.3178 1.901955 125.8000 2.165525 126.2821 2.089485 126.7642 1.765907 127.2463 1.551462 127.7284 1.656780 128.2105 1.940739 128.6927 2.135872 129.1748 2.239391 129.6569 2.243910 130.1390 2.108229 130.6211 1.808905 131.1032 1.512733 131.5854 1.214355 132.0675 0.9849190 132.5496 0.9554000 133.0317 1.256317 133.5138 1.671810 133.9959 1.628592 134.4781 0.6833230 134.9602 1.1356000E-02 135.4423 3.6400001E-02 135.9244 0.3225770 136.4065 0.6968400 136.8886 0.8614120 137.3708 0.8323780 137.8529 0.8256630 138.3350 0.8544810 138.8171 0.8978500 139.2992 0.9811360 139.7813 1.077337 140.2635 1.141827 140.7456 1.140985 141.2277 1.079329 141.7098 0.8727720 142.1919 0.3374200 142.6740 0.1604980 143.1561 0.4197900 143.6383 0.4318830 144.1204 0.3277510 144.6025 0.2358150 145.0846 0.1644290 145.5667 2.4939001E-02 146.0488 0.6062090 146.5310 1.237320 147.0131 1.406090 147.4952 1.010157 147.9773 0.4421650 148.4594 0.1761380 148.9415 3.3420999E-02 149.4237 3.7941001E-02 149.9058 0.6414110 150.3879 1.604246 150.8700 2.422697 151.3521 3.018087 151.8342 3.431938 152.3164 3.673008 152.7985 3.763472 153.2806 3.875170 153.7627 4.193546 154.2448 4.725754 154.7269 5.112936 155.2091 5.084827 155.6912 5.068027 156.1733 5.298004 156.6554 5.781176 157.1375 6.352180 157.6196 6.801880 158.1018 7.055988 158.5839 7.442347 159.0660 8.079676 159.5481 8.758553 160.0302 9.298552 160.5123 9.687654 160.9945 10.10699 161.4766 10.86777 161.9587 12.22286 162.4408 13.57862 162.9229 14.73975 163.4050 15.99025 163.8871 17.50055 164.3693 19.34037 164.8514 21.58201 165.3335 24.43801 165.8156 27.66037 166.2977 31.80598 166.7798 36.93469 167.2620 43.09514 167.7441 50.17383 168.2262 57.99358 168.7083 66.90746 169.1904 77.86568 169.6725 90.11894 170.1547 104.9211 170.6368 123.6068 171.1189 145.4220 171.6010 168.8941 172.0831 196.9335 172.5652 222.7500 173.0474 236.2034 173.5295 236.8373 174.0116 226.2430 174.4937 200.9841 174.9758 161.0577 175.4579 123.2596 175.9401 94.16630 176.4222 71.63680 176.9043 54.02071 177.3864 41.48698 177.8685 32.56660 178.3506 25.68903 178.8328 21.14024 179.3149 17.65041 179.7970 15.14952 180.2791 13.27136 180.7612 11.85053 181.2433 10.85995 181.7255 10.13314 182.2076 9.308601 182.6897 8.307520 183.1718 7.358935 183.6539 6.398130 184.1360 5.539207 184.6181 4.937969 185.1003 4.681217 185.5824 4.671177 186.0645 4.555055 186.5466 4.217029 187.0287 3.901463 187.5108 3.650273 187.9930 3.437482 188.4751 3.222962 188.9572 2.983747 189.4393 2.731731 189.9214 2.538847 190.4035 2.487833 190.8857 2.410895 191.3678 2.252008 191.8499 2.045320 192.3320 1.857294 192.8141 1.736979 193.2962 1.674577 193.7784 1.537570 194.2605 1.261677 194.7426 0.9951660 195.2247 0.7544960 195.7068 0.5555600 196.1889 0.4471930 196.6711 0.4813980 197.1532 0.6260680 197.6353 0.6974810 198.1174 0.6492420 198.5995 0.5781350 199.0816 0.5568120 199.5638 0.5707570 200.0459 0.5220050 200.5280 0.3146380 201.0101 7.7799999E-04 201.4922 0.2423670 201.9743 0.4248980 202.4565 0.4988760 202.9386 0.3382420 203.4207 6.9932997E-02 203.9028 0.3694860 204.3849 0.2723880 204.8670 3.1643000E-02 205.3492 0.2856290 205.8313 0.4717010 206.3134 0.5589770 206.7955 0.4553550 207.2776 9.7166002E-02 207.7597 0.1990070 208.2419 0.1892970 208.7240 7.4960999E-02 209.2061 5.5055998E-02 209.6882 0.2125490 210.1703 0.4488260 210.6524 0.5951270 211.1346 0.6245160 211.6167 0.6283320 212.0988 0.6337760 212.5809 0.6320570 213.0630 0.5861190 213.5451 0.4662630 214.0273 0.3600500 214.5094 0.5032840 214.9915 1.087189 215.4736 1.615639 215.9557 1.902121 216.4378 2.126036 216.9200 2.473307 217.4021 3.028641 217.8842 3.737734 218.3663 4.419012 218.8484 4.996721 219.3305 5.628136 219.8127 6.318048 220.2948 7.074556 220.7769 7.890291 221.2590 8.758842 221.7411 9.701838 222.2232 10.79914 222.7054 12.08664 223.1875 13.52241 223.6696 14.95889 224.1517 16.60523 224.6338 18.64179 225.1159 21.14100 225.5980 24.10416 226.0802 27.60920 226.5623 31.42899 227.0444 36.11588 227.5265 41.81033 228.0086 48.36974 228.4907 55.63657 228.9729 63.56690 229.4550 72.02824 229.9371 80.54488 230.4192 87.95869 230.9013 97.16681 231.3834 107.8458 231.8656 120.7431 232.3477 136.7369 232.8298 156.0515 233.3119 179.0122 233.7940 208.0669 234.2761 246.3742 234.7583 281.5709 235.2404 319.2234 235.7225 350.4510 236.2046 358.3639 236.6867 335.1554 237.1688 291.9381 237.6510 242.9588 238.1331 186.0206 238.6152 136.3603 239.0973 99.95823 239.5794 74.34558 240.0615 55.19052 240.5437 42.23178 241.0258 33.56694 241.5079 27.14595 241.9900 22.82359 242.4721 19.30577 242.9542 16.09507 243.4364 13.29806 243.9185 11.28397 244.4006 10.35122 244.8827 9.822720 245.3648 9.008219 245.8469 7.950657 246.3290 6.969212 246.8112 6.290682 247.2933 5.817520 247.7754 5.215866 248.2575 4.362677 248.7396 3.521534 249.2217 2.838259 249.7039 2.311872 250.1860 1.974106 250.6681 1.958506 251.1502 2.166519 251.6323 2.209221 252.1144 1.954819 252.5966 1.721853 253.0787 1.689047 253.5608 1.813351 254.0429 1.998045 254.5250 2.117050 255.0071 2.249353 255.4893 2.731998 255.9714 3.718929 256.4535 4.831171 256.9356 5.798012 257.4177 6.760029 257.8998 7.923111 258.3820 9.298882 258.8641 10.99239 259.3462 13.37374 259.8283 16.47686 260.3104 20.34024 260.7925 24.75811 261.2747 29.89605 261.7568 35.96468 262.2389 43.18248 262.7210 51.26530 263.2031 60.02360 263.6852 72.35427 264.1674 79.98046 264.6495 81.40700 265.1316 77.90897 265.6137 69.83382 266.0958 57.11775 266.5779 41.99895 267.0601 29.71681 267.5422 20.97053 268.0243 14.26721 268.5064 9.596422 268.9885 6.324148 269.4706 4.133129 269.9528 2.875557 270.4349 2.219461 270.9170 1.548635 271.3991 0.8040220 271.8812 0.1769810 272.3633 0.3065340 272.8455 0.6961990 273.3276 1.009796 273.8097 1.261703 274.2918 1.481672 274.7739 1.723618 275.2560 2.050917 275.7382 2.258348 276.2202 2.297026 276.7024 2.280783 277.1845 2.278433 277.6666 2.300207 278.1487 2.314945 278.6308 2.279850 279.1129 2.170429 279.5951 2.097309 280.0772 2.042540 280.5593 2.030701 281.0414 2.136667 281.5235 2.319757 282.0056 2.436037 282.4878 2.338013 282.9699 1.990597 283.4520 1.665632 283.9341 1.401655 284.4162 1.117577 284.8983 0.7573660 285.3805 0.3450660 285.8626 4.5844998E-02 286.3447 0.3515450 286.8268 0.5734200 287.3089 0.8906940 287.7910 1.298634 288.2732 1.795076 288.7553 2.419296 289.2374 3.129160 289.7195 3.805799 290.2016 4.356974 290.6837 4.857716 291.1659 5.773355 291.6480 7.529007 292.1301 9.191765 292.6122 10.45256 293.0943 11.56997 293.5764 12.98009 294.0586 14.90282 294.5407 17.07115 295.0228 18.76944 295.5049 19.95974 295.9870 20.67362 296.4691 20.76242 296.9513 20.43819 297.4334 19.83491 297.9155 19.01229 298.3976 18.11694 298.8797 17.38139 299.3618 16.74333 299.8440 16.45342 300.3261 16.38313 300.8082 16.72819 301.2903 17.59285 301.7724 19.01877 302.2545 21.07467 302.7367 23.84437 303.2188 27.36037 303.7009 31.73631 304.1830 36.62496 304.6651 42.55858 305.1472 49.66751 305.6294 58.07206 306.1115 68.05853 306.5936 79.83484 307.0757 93.49605 307.5578 109.0871 308.0399 126.2501 308.5221 145.2778 309.0042 167.1501 309.4863 191.0885 309.9684 215.8982 310.4505 241.6079 310.9326 266.8870 311.4148 280.9221 311.8969 285.3174 312.3790 278.8837 312.8611 256.2635 313.3432 223.4740 313.8253 188.2944 314.3075 153.9380 314.7896 122.0675 315.2717 97.03026 315.7538 81.43143 316.2359 68.94742 316.7180 59.72702 317.2001 53.12746 317.6823 48.67145 318.1644 46.16925 318.6465 45.31082 319.1286 45.64846 319.6107 47.36161 320.0928 50.19586 320.5750 53.96059 321.0571 58.93685 321.5392 65.67302 322.0213 74.04298 322.5034 83.35591 322.9855 93.24810 323.4677 104.2814 323.9498 111.3242 324.4319 115.3842 324.9140 115.2984 325.3961 109.1403 325.8782 98.10767 326.3604 85.16478 326.8425 71.99928 327.3246 58.85186 327.8067 48.31029 328.2888 40.92355 328.7709 35.07048 329.2531 30.72598 329.7352 27.60312 330.2173 25.38794 330.6994 23.96194 331.1815 23.19814 331.6636 22.75230 332.1458 22.76193 332.6279 22.95681 333.1100 23.35245 333.5921 23.91571 334.0742 24.60666 334.5563 25.41365 335.0385 26.39868 335.5206 27.64683 336.0027 29.23668 336.4848 30.94645 336.9669 32.59870 337.4490 34.51266 337.9312 36.84451 338.4133 39.63689 338.8954 42.85135 339.3775 46.41292 339.8596 50.29014 340.3417 55.13773 340.8239 60.98788 341.3060 67.62637 341.7881 74.77643 342.2702 82.67816 342.7523 91.58601 343.2344 101.5315 343.7166 112.7876 344.1987 126.6428 344.6808 143.5321 345.1629 162.9703 345.6450 184.1934 346.1271 208.1490 346.6093 235.7715 347.0914 267.2323 347.5735 302.7465 348.0556 342.3179 348.5377 388.3127 349.0198 434.7609 349.5020 485.2427 349.9841 533.5544 350.4662 579.0729 350.9483 619.2800 351.4304 647.3159 351.9125 655.4728 352.3947 642.8395 352.8768 615.9728 353.3589 563.0451 353.8410 507.8990 354.3231 454.6538 354.8052 405.8205 355.2874 363.7712 355.7695 330.2455 356.2516 305.1171 356.7337 287.0522 357.2158 278.0794 357.6979 274.3911 358.1800 276.1215 358.6621 281.9463 359.1443 290.3938 359.6264 300.9350 360.1085 314.1872 360.5906 331.0113 361.0727 350.5394 361.5548 376.3972 362.0370 407.6606 362.5191 445.6622 363.0012 490.6088 363.4833 543.2492 363.9654 604.5905 364.4475 676.1733 364.9297 758.1797 365.4118 847.3322 365.8939 943.4125 366.3760 1047.944 366.8581 1165.317 367.3402 1290.687 367.8224 1417.097 368.3045 1545.807 368.7866 1667.462 369.2687 1756.127 369.7508 1813.746 370.2329 1830.343 370.7151 1795.193 371.1972 1725.094 371.6793 1630.070 372.1614 1512.058 372.6435 1380.753 373.1256 1243.180 373.6078 1098.241 374.0899 966.1689 374.5720 852.1361 375.0541 752.9664 375.5362 666.2750 376.0183 591.3591 376.5005 526.8607 376.9826 473.1842 377.4647 429.1908 377.9468 390.4901 378.4289 357.1923 378.9110 328.5671 379.3932 304.8376 379.8753 285.1021 380.3574 268.3767 380.8395 255.4323 381.3216 244.3733 381.8037 233.8122 382.2859 223.7826 382.7680 211.7347 383.2501 195.6812 383.7322 177.4083 384.2143 159.5529 384.6964 142.0116 385.1786 125.7656 385.6607 111.4053 386.1428 98.91589 386.6249 88.33666 387.1070 79.94046 387.5891 72.84721 388.0713 66.08062 388.5534 59.62774 389.0355 54.13549 389.5176 50.10054 389.9997 46.85904 390.4818 43.77210 390.9640 40.79819 391.4461 38.25634 391.9282 36.49940 392.4103 35.35078 392.8924 33.79338 393.3745 31.38014 393.8567 29.08104 394.3388 27.39397 394.8209 26.07695 395.3030 24.63948 395.7851 22.86039 396.2672 21.03096 396.7494 19.67461 397.2315 19.06878 397.7136 18.29700 398.1957 17.17965 398.6778 15.96811 399.1599 14.79414 399.6420 13.70823 400.1241 12.81216 400.6063 12.22363 401.0884 11.95204 401.5705 11.58419 402.0526 11.11147 402.5347 10.56863 403.0168 9.881264 403.4990 9.147167 403.9811 8.521854 404.4632 8.082664 404.9453 7.781536 405.4274 7.522686 405.9095 7.450304 406.3917 7.190441 406.8738 6.544127 407.3559 5.856722 407.8380 5.406216 408.3201 5.199957 408.8022 5.015530 409.2844 4.602535 409.7665 3.939709 410.2486 3.408501 410.7307 3.097677 411.2128 2.821657 411.6949 2.519175 412.1771 2.207418 412.6592 1.931873 413.1413 1.732037 413.6234 1.574198 414.1055 1.378447 414.5876 1.141445 415.0698 0.8725640 415.5519 0.4851610 416.0340 0.1279470 416.5161 6.2438998E-02 416.9982 8.1529997E-02 417.4803 8.5026003E-02 417.9625 0.2253510 418.4446 0.4770160 418.9267 0.6613120 419.4088 0.7262400 419.8909 0.7937430 420.3730 0.9385070 420.8552 1.141241 421.3373 1.373104 421.8194 1.680775 422.3015 1.955534 422.7836 2.023905 423.2657 1.888752 423.7479 1.797203 424.2300 1.875845 424.7121 2.024685 425.1942 2.110617 425.6763 2.149084 426.1584 2.057735 426.6406 1.660517 427.1227 1.149542 427.6048 0.8688850 428.0869 0.8825280 428.5690 1.008989 429.0511 1.104273 429.5333 1.165949 430.0154 1.209869 430.4975 1.237566 430.9796 1.246355 431.4617 1.246082 431.9438 1.226219 432.4260 1.145655 432.9081 0.9760490 433.3902 0.7710300 433.8723 0.6597400 434.3544 0.7114450 434.8365 0.7467860 435.3187 0.8303870 435.8008 0.8492390 436.2829 0.6812970 436.7650 0.3319700 437.2471 7.9185002E-02 437.7292 0.4380890 438.2114 0.7432460 438.6935 1.114779 439.1756 1.518250 439.6577 2.031036 440.1398 2.694946 440.6219 3.471508 441.1040 4.306061 441.5862 5.172455 442.0683 6.090590 442.5504 7.055712 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