#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:11 +0300 (Thu, 24 May 2018) $ #$Revision: 885 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000364.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_1000364 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 R050311 _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 R050311.rod _rod_data_source.block 3500000 _rod_database.code 1000364 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 96.38037 0.0000000E+00 96.86249 0.3486480 97.34460 2.7470000E-03 97.82672 0.4036560 98.30884 1.395996 98.79095 3.142456 99.27307 5.319061 99.75519 6.862137 100.2373 6.647110 100.7194 4.773682 101.2015 3.038551 101.6837 1.565346 102.1658 0.5378270 102.6479 1.5945001E-02 103.1300 0.1647870 103.6121 2.2484001E-02 104.0942 1.262901 104.5764 3.146652 105.0585 4.643745 105.5406 5.467682 106.0227 5.739090 106.5048 5.523857 106.9869 4.538887 107.4691 3.362289 107.9512 2.234680 108.4333 1.121094 108.9154 0.2187190 109.3975 0.1705630 109.8796 0.1002500 110.3617 2.5253000E-02 110.8439 0.4412540 111.3260 0.9603730 111.8081 1.252129 112.2902 1.391197 112.7723 1.510284 113.2544 1.684135 113.7366 1.884880 114.2187 2.040863 114.7008 2.207443 115.1829 2.161263 115.6650 2.128593 116.1471 2.283508 116.6293 2.606087 117.1114 3.013283 117.5935 3.533966 118.0756 3.637192 118.5577 2.978813 119.0398 1.840622 119.5220 1.037971 120.0041 1.084915 120.4862 1.740471 120.9683 2.032326 121.4504 1.853790 121.9325 1.743759 122.4147 2.128868 122.8968 2.831573 123.3789 3.482841 123.8610 3.962700 124.3431 4.192360 124.8252 4.028221 125.3074 3.242432 125.7895 2.262344 126.2716 2.059799 126.7537 3.209328 127.2358 4.122047 127.7179 4.255928 128.2001 3.905365 128.6822 3.427757 129.1643 3.004944 129.6464 2.649460 130.1285 2.526253 130.6106 3.313255 131.0928 3.688698 131.5749 2.959557 132.0570 1.502678 132.5391 0.1804730 133.0212 0.2276080 133.5033 0.4333340 133.9855 1.064445 134.4676 1.780533 134.9497 2.387596 135.4318 2.801033 135.9139 3.004257 136.3960 2.982483 136.8782 2.617859 137.3603 1.780907 137.8424 1.401756 138.3245 1.987167 138.8066 2.883194 139.2887 3.277054 139.7709 2.931000 140.2530 2.310966 140.7351 1.992653 141.2172 1.942574 141.6993 1.891357 142.1814 1.756615 142.6636 1.546936 143.1457 1.338287 143.6278 0.6912160 144.1099 0.1026150 144.5920 0.1286160 145.0741 0.8100280 145.5563 1.605804 146.0384 2.226196 146.5205 2.789345 147.0026 3.086472 147.4847 2.528633 147.9668 2.137070 148.4490 2.833191 148.9311 5.038544 149.4132 7.626617 149.8953 8.694099 150.3774 7.069588 150.8595 6.373062 151.3417 7.372406 151.8238 8.900383 152.3059 10.06672 152.7880 10.51295 153.2701 10.57481 153.7522 11.08753 154.2344 13.06013 154.7165 14.64816 155.1986 15.47254 155.6807 15.98473 156.1628 16.75992 156.6449 18.09414 157.1271 19.84331 157.6092 21.43882 158.0913 22.73200 158.5734 24.08543 159.0555 25.68948 159.5376 27.43784 160.0198 29.07397 160.5019 30.48770 160.9840 31.63723 161.4661 32.49007 161.9482 32.61462 162.4303 32.91205 162.9125 34.07140 163.3946 36.05963 163.8767 38.20477 164.3588 40.13177 164.8409 41.94994 165.3230 43.86633 165.8052 45.91035 166.2873 48.05659 166.7694 50.20238 167.2515 52.30281 167.7336 54.61818 168.2157 57.15520 168.6979 59.99959 169.1800 63.42914 169.6621 67.85587 170.1442 72.72595 170.6263 76.40765 171.1084 78.05527 171.5906 79.79765 172.0727 82.30389 172.5548 85.32349 173.0369 88.61861 173.5190 92.19887 174.0011 95.91432 174.4833 98.47272 174.9654 99.06535 175.4475 99.16013 175.9296 99.62355 176.4117 99.79178 176.8938 98.35487 177.3760 94.17378 177.8581 87.16876 178.3402 80.87061 178.8223 76.24338 179.3044 71.30829 179.7865 65.07037 180.2687 57.85161 180.7508 50.68996 181.2329 44.45621 181.7150 39.20787 182.1971 34.53972 182.6792 30.41521 183.1614 26.78665 183.6435 23.71904 184.1256 21.19254 184.6077 19.01918 185.0898 17.09183 185.5719 15.42320 186.0540 13.62294 186.5362 11.41884 187.0183 9.232269 187.5004 7.523819 187.9825 6.358627 188.4646 5.323120 188.9467 3.727325 189.4289 1.825714 189.9110 0.8074340 190.3931 1.722107 190.8752 3.448257 191.3573 4.250656 191.8394 3.808426 192.3216 2.946381 192.8037 2.087631 193.2858 1.271408 193.7679 0.6352390 194.2500 0.5380250 194.7321 0.7539670 195.2143 0.4990540 195.6964 0.7414550 196.1785 1.753021 196.6606 1.831055 197.1427 1.238525 197.6248 0.5422210 198.1070 7.0891999E-02 198.5891 0.2172850 199.0712 0.5617220 199.5533 1.355255 200.0354 1.685654 200.5175 0.8507540 200.9997 0.7316590 201.4818 2.159698 201.9639 2.718307 202.4460 2.375351 202.9281 1.825577 203.4102 0.7063290 203.8924 0.2776490 204.3745 0.7642210 204.8566 0.9037630 205.3387 1.075211 205.8208 1.641693 206.3029 2.687546 206.7851 3.646988 207.2672 4.831161 207.7493 5.629028 208.2314 5.445572 208.7135 4.545654 209.1956 3.771317 209.6778 3.870865 210.1599 4.949356 210.6420 6.184692 211.1241 7.590302 211.6062 9.096313 212.0883 10.85957 212.5705 12.76427 213.0526 14.35132 213.5347 15.10458 214.0168 14.87955 214.4989 15.39352 214.9810 17.09439 215.4632 19.11478 215.9453 20.89436 216.4274 22.40952 216.9095 23.95724 217.3916 25.79463 217.8737 27.95456 218.3559 30.12767 218.8380 32.40596 219.3201 34.67749 219.8022 36.77466 220.2843 38.69646 220.7664 40.78510 221.2486 43.54169 221.7307 46.70103 222.2128 49.14552 222.6949 49.94200 223.1770 50.37343 223.6591 51.97147 224.1413 54.94543 224.6234 58.30478 225.1055 61.22652 225.5876 63.91403 226.0697 66.84789 226.5518 70.33554 227.0340 74.04031 227.5161 77.49214 227.9982 80.68982 228.4803 83.64838 228.9624 86.04214 229.4445 88.27292 229.9267 90.94974 230.4088 94.40923 230.8909 98.30853 231.3730 101.9567 231.8551 105.2573 232.3372 108.5310 232.8194 111.7867 233.3015 115.1602 233.7836 118.9798 234.2657 123.6030 234.7478 128.3974 235.2299 131.8503 235.7121 133.4508 236.1942 134.6895 236.6763 136.5893 237.1584 138.2192 237.6405 138.8283 238.1227 138.2119 238.6048 135.9515 239.0869 130.8006 239.5690 121.2166 240.0511 111.1909 240.5332 101.4383 241.0154 91.74722 241.4975 81.87718 241.9796 71.71516 242.4617 61.59448 242.9438 52.43124 243.4259 44.10837 243.9081 37.09071 244.3902 31.83040 244.8723 27.55040 245.3544 23.60461 245.8365 19.71478 246.3186 15.95505 246.8007 12.41547 247.2829 8.787567 247.7650 5.887772 248.2471 4.024918 248.7292 2.793045 249.2113 1.776474 249.6934 0.8323360 250.1756 0.1183320 250.6577 2.6250000E-03 251.1398 1.582550 251.6219 2.105270 252.1040 0.6606140 252.5861 1.271683 253.0683 2.419983 253.5504 2.469269 254.0325 1.896835 254.5146 1.408356 254.9967 0.9046630 255.4788 0.6005550 255.9610 0.7535860 256.4431 0.9882970 256.9252 0.9678650 257.4073 0.5974270 257.8894 4.7759999E-02 258.3716 0.4109340 258.8537 0.5556950 259.3358 1.112457 259.8179 2.624619 260.3000 4.363327 260.7821 5.603546 261.2643 6.270966 261.7464 6.845825 262.2285 7.846558 262.7106 9.385452 263.1927 10.78123 263.6748 11.97263 264.1570 13.07034 264.6391 14.22775 265.1212 15.43089 265.6033 16.37425 266.0854 16.72179 266.5675 16.41982 267.0497 16.06300 267.5318 15.74391 268.0139 15.31754 268.4960 14.66086 268.9781 13.77051 269.4602 12.72180 269.9424 11.52681 270.4245 10.20413 270.9066 8.926254 271.3887 7.656570 271.8708 6.461914 272.3529 5.414291 272.8351 4.506027 273.3172 3.650726 273.7993 2.777008 274.2814 1.930817 274.7635 1.221527 275.2456 0.7604680 275.7278 0.3192600 276.2099 0.2595370 276.6920 0.9645690 277.1741 1.743988 277.6562 2.740479 278.1383 3.660919 278.6204 3.962524 279.1025 3.415436 279.5847 2.751022 280.0668 2.238281 280.5489 1.935425 281.0310 2.324081 281.5131 4.057510 281.9952 6.068741 282.4774 6.871292 282.9595 6.343170 283.4416 5.395660 283.9237 4.462433 284.4058 3.534988 284.8879 2.546356 285.3701 1.421844 285.8522 0.3239590 286.3343 0.5228580 286.8164 1.133774 287.2985 1.844147 287.7806 2.826324 288.2628 4.050491 288.7449 5.415009 289.2270 6.937103 289.7091 8.558853 290.1912 10.37135 290.6733 12.28360 291.1555 13.98880 291.6376 15.24919 292.1197 16.19833 292.6018 17.01727 293.0839 17.41197 293.5660 18.41058 294.0482 21.11974 294.5303 24.83258 295.0124 28.35097 295.4945 31.05879 295.9766 33.35657 296.4587 35.99782 296.9409 39.10440 297.4230 42.14362 297.9051 44.91698 298.3872 47.46658 298.8693 49.84120 299.3514 52.12163 299.8336 54.11879 300.3157 55.50816 300.7978 56.20953 301.2799 56.83017 301.7620 57.40981 302.2441 58.12192 302.7263 59.10892 303.2084 60.38956 303.6905 62.00055 304.1726 64.00607 304.6547 66.40662 305.1368 69.12238 305.6190 72.48233 306.1011 75.89517 306.5832 78.69565 307.0653 80.88022 307.5474 83.35500 308.0295 86.97389 308.5117 91.66042 308.9938 96.42918 309.4759 101.2848 309.9580 105.9157 310.4401 109.7922 310.9222 113.1562 311.4044 116.8795 311.8865 121.6984 312.3686 127.3524 312.8507 132.9398 313.3328 138.8739 313.8149 143.8714 314.2971 147.2945 314.7792 149.4806 315.2613 151.0552 315.7434 152.5095 316.2255 153.3925 316.7076 152.7169 317.1898 150.2939 317.6719 146.7369 318.1540 141.2936 318.6361 135.2831 319.1182 130.1309 319.6003 126.2887 320.0825 123.2737 320.5646 120.4673 321.0467 117.8513 321.5288 115.5572 322.0109 113.4897 322.4930 111.8868 322.9752 110.9863 323.4573 110.8336 323.9394 111.2568 324.4215 112.1928 324.9036 113.6300 325.3857 115.2657 325.8679 116.8343 326.3500 118.8661 326.8321 121.7301 327.3142 125.3745 327.7963 129.4128 328.2784 133.9731 328.7606 138.8242 329.2427 142.7500 329.7248 145.1287 330.2069 147.5266 330.6890 150.9895 331.1711 155.1604 331.6533 159.3042 332.1354 162.9158 332.6175 166.3815 333.0996 170.3385 333.5817 174.6584 334.0638 179.9583 334.5460 187.0011 335.0281 195.0204 335.5102 203.2646 335.9923 211.6157 336.4744 220.1115 336.9565 228.6657 337.4387 237.1912 337.9208 246.7280 338.4029 258.0724 338.8850 270.3133 339.3671 282.4796 339.8492 294.5277 340.3314 306.6337 340.8135 318.5433 341.2956 330.5616 341.7777 344.0076 342.2598 359.7359 342.7419 376.1028 343.2241 391.0038 343.7062 404.9625 344.1883 420.5696 344.6704 439.0156 345.1525 459.9767 345.6346 483.1832 346.1168 509.1151 346.5989 535.5710 347.0810 559.8474 347.5631 583.4907 348.0452 609.7761 348.5273 640.2360 349.0095 673.0367 349.4916 706.4294 349.9737 740.2933 350.4558 774.8536 350.9379 810.3021 351.4200 846.3112 351.9022 882.5452 352.3843 919.4117 352.8664 954.9351 353.3485 987.3570 353.8306 1017.099 354.3127 1046.149 354.7949 1075.985 355.2770 1103.881 355.7591 1126.948 356.2412 1145.477 356.7233 1160.087 357.2054 1169.925 357.6876 1176.368 358.1697 1180.873 358.6518 1183.306 359.1339 1185.886 359.6160 1190.774 360.0981 1197.569 360.5803 1204.013 361.0624 1208.083 361.5445 1213.022 362.0266 1220.592 362.5087 1231.046 362.9908 1245.826 363.4730 1266.374 363.9551 1291.658 364.4372 1318.047 364.9193 1344.249 365.4014 1373.293 365.8835 1407.492 366.3657 1445.092 366.8478 1483.901 367.3299 1523.766 367.8120 1561.755 368.2941 1593.948 368.7762 1621.375 369.2584 1639.448 369.7405 1649.028 370.2226 1647.984 370.7047 1634.194 371.1868 1607.291 371.6689 1568.222 372.1511 1516.766 372.6332 1451.988 373.1153 1382.020 373.5974 1303.802 374.0795 1223.448 374.5616 1141.526 375.0438 1059.573 375.5259 979.2661 376.0080 901.6702 376.4901 827.3927 376.9722 759.3853 377.4543 699.0829 377.9365 643.1687 378.4186 591.3837 378.9007 543.7526 379.3828 500.9038 379.8649 462.9040 380.3470 428.9461 380.8292 398.0435 381.3113 370.3924 381.7934 345.4353 382.2755 323.4454 382.7576 303.4668 383.2397 285.0723 383.7219 268.2000 384.2040 253.3694 384.6861 241.2036 385.1682 231.5155 385.6503 221.7133 386.1324 210.4209 386.6146 200.6419 387.0967 193.8590 387.5788 188.6588 388.0609 183.2137 388.5430 176.7694 389.0251 169.8796 389.5073 163.7244 389.9894 159.0430 390.4715 153.4859 390.9536 146.6120 391.4357 139.2112 391.9178 131.5009 392.4000 123.6604 392.8821 115.9996 393.3642 108.8062 393.8463 102.0716 394.3284 95.68849 394.8105 90.03519 395.2927 84.23042 395.7748 77.70525 396.2569 70.89267 396.7390 64.44183 397.2211 58.67984 397.7032 53.46654 398.1854 48.53767 398.6675 43.84953 399.1496 39.52991 399.6317 35.85066 400.1138 32.38087 400.5959 28.69005 401.0780 24.72646 401.5602 21.09282 402.0423 18.59427 402.5244 17.11577 403.0065 15.25240 403.4886 12.53824 403.9707 9.883392 404.4529 7.877136 404.9350 6.416733 405.4171 5.226212 405.8992 4.347366 406.3813 3.600174 406.8634 2.652618 407.3456 1.476791 407.8277 0.3929750 408.3098 0.4428860 408.7919 1.102783 409.2740 1.735077 409.7561 2.403168 410.2383 2.943130 410.7204 3.164215 411.2025 3.164749 411.6846 3.274078 412.1667 3.604370 412.6488 3.974304 413.1310 4.086945 413.6131 3.949280 414.0952 4.053146 414.5773 4.732788 415.0594 5.522675 415.5415 6.063034 416.0237 6.319809 416.5058 6.277267 416.9879 5.876541 417.4700 5.177887 417.9521 4.519119 418.4342 3.765381 418.9164 3.201141 419.3985 2.993698 419.8806 2.996292 420.3627 2.993698 420.8448 2.917587 421.3269 2.851227 421.8091 2.956390 422.2912 3.444839 422.7733 3.442383 423.2554 2.579437 423.7375 1.590210 424.2196 0.8585210 424.7018 0.3909300 425.1839 4.8064999E-02 425.6660 0.2622070 426.1481 0.5422520 426.6302 0.8133240 427.1123 1.219742 427.5945 1.423630 428.0766 1.044296 428.5587 0.6183470 429.0408 0.7819210 429.5229 1.691757 430.0050 2.840591 430.4872 3.496094 430.9693 3.526169 431.4514 3.612717 431.9335 3.800308 432.4156 4.024002 432.8977 4.266815 433.3799 4.526245 433.8620 4.792831 434.3441 5.030090 434.8262 5.294342 435.3083 5.828491 435.7904 6.827347 436.2726 7.548355 436.7547 7.327698 437.2368 6.919983 437.7189 7.075989 438.2010 7.968735 438.6831 8.910629 439.1653 9.322342 439.6474 9.273376 440.1295 9.041718 440.6116 8.427521 441.0937 8.113220 441.5758 9.025681 442.0580 10.76625 442.5401 12.12114 443.0222 12.58955 443.5043 12.63229 443.9864 12.57735 444.4685 12.45525 444.9507 12.51196 445.4328 12.90640 445.9149 13.50854 446.3970 14.03613 446.8791 14.51073 447.3612 14.87605 447.8434 15.21692 448.3255 15.39343 448.8076 15.12015 449.2897 14.37839 449.7718 13.59048 450.2539 13.11500 450.7361 12.95717 451.2182 13.18408 451.7003 14.36819 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