#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:24 +0300 (Thu, 24 May 2018) $ #$Revision: 669 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000194.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_1000194 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 R050377 _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 R050377.rod _rod_data_source.block 3500000 _rod_database.code 1000194 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 143.9400 0.0000000E+00 144.4221 8.2153000E-02 144.9042 1.7867999E-02 145.3864 0.1376340 145.8685 8.3893001E-02 146.3506 0.9003750 146.8327 1.735245 147.3148 2.392792 147.7969 2.752670 148.2791 3.186707 148.7612 3.642471 149.2433 4.149887 149.7254 4.814056 150.2075 5.641708 150.6896 6.632462 151.1718 7.789337 151.6539 9.176132 152.1360 10.63043 152.6181 12.37051 153.1002 14.18733 153.5823 15.47627 154.0645 15.67247 154.5466 15.73155 155.0287 16.10481 155.5108 17.29543 155.9929 18.29848 156.4750 18.77672 156.9572 18.88974 157.4393 19.30235 157.9214 20.07741 158.4035 21.20549 158.8856 22.68805 159.3677 24.90491 159.8499 27.03864 160.3320 28.78798 160.8141 30.18558 161.2962 31.53772 161.7783 32.61192 162.2604 33.84680 162.7426 35.60468 163.2247 38.80765 163.7068 41.86182 164.1889 43.84381 164.6710 44.86128 165.1531 46.24551 165.6353 48.77605 166.1174 51.94997 166.5995 55.38498 167.0816 59.24707 167.5637 63.01382 168.0458 66.81725 168.5280 70.59433 169.0101 73.66129 169.4922 75.80141 169.9743 77.26796 170.4564 77.91937 170.9385 77.08763 171.4207 75.70264 171.9028 73.86880 172.3849 71.73166 172.8670 69.57306 173.3491 67.09142 173.8312 64.23738 174.3134 61.07466 174.7955 57.36897 175.2776 53.50612 175.7597 50.17139 176.2418 47.20792 176.7239 44.28209 177.2061 41.51511 177.6882 38.89009 178.1703 36.34381 178.6524 33.70807 179.1345 31.14073 179.6166 28.99438 180.0988 27.32405 180.5809 25.80740 181.0630 23.96257 181.5451 21.90198 182.0272 20.12314 182.5093 19.07837 182.9915 18.48428 183.4736 17.62820 183.9557 16.41255 184.4378 15.10541 184.9199 14.05415 185.4020 13.23817 185.8842 12.48393 186.3663 11.68497 186.8484 10.86839 187.3305 10.17558 187.8126 9.667999 188.2947 9.155884 188.7769 8.235245 189.2590 6.930298 189.7411 5.736847 190.2232 5.041473 190.7053 4.754883 191.1874 4.268097 191.6696 3.477386 192.1517 2.581818 192.6338 1.959808 193.1159 1.618912 193.5980 1.355225 194.0801 1.125763 194.5623 0.9131770 195.0444 0.4482270 195.5265 0.3800960 196.0086 1.357010 196.4907 1.989563 196.9728 2.242218 197.4550 2.463058 197.9371 2.983780 198.4192 3.816483 198.9013 4.146912 199.3834 3.736954 199.8655 2.966537 200.3477 2.796158 200.8298 3.335587 201.3119 3.986771 201.7940 4.115936 202.2761 3.991165 202.7582 3.795044 203.2404 3.517746 203.7225 3.191895 204.2046 2.940002 204.6867 2.784683 205.1688 2.618149 205.6509 2.359985 206.1331 1.980438 206.6152 1.709091 207.0973 1.674789 207.5794 1.704865 208.0615 1.163361 208.5436 0.1755980 209.0258 1.497437 209.5079 2.188660 209.9900 2.044769 210.4721 2.226257 210.9542 2.917358 211.4363 3.962509 211.9185 4.791290 212.4006 5.250275 212.8827 5.833603 213.3648 6.926300 213.8469 8.805328 214.3290 10.18912 214.8112 10.76596 215.2933 10.81798 215.7754 11.46445 216.2575 12.98102 216.7396 14.57925 217.2217 15.74403 217.7038 16.28090 218.1860 16.98409 218.6681 17.97090 219.1502 19.14168 219.6323 20.10381 220.1144 20.77599 220.5965 21.35352 221.0787 21.90602 221.5608 22.36620 222.0429 22.96701 222.5250 23.72591 223.0071 24.64505 223.4892 25.70000 223.9714 27.06351 224.4535 28.32379 224.9356 29.23849 225.4177 29.58353 225.8998 30.11032 226.3819 30.89661 226.8641 31.88922 227.3462 32.87781 227.8283 33.92874 228.3104 34.86525 228.7925 35.54846 229.2746 35.84027 229.7568 36.23622 230.2389 36.84819 230.7210 37.56847 231.2031 38.00362 231.6852 38.02213 232.1673 37.94882 232.6495 38.03227 233.1316 38.77213 233.6137 38.51569 234.0958 36.92403 234.5779 34.37532 235.0600 31.87161 235.5422 29.19571 236.0243 26.85387 236.5064 25.18254 236.9885 24.82732 237.4706 23.67055 237.9527 21.33943 238.4349 18.31099 238.9170 15.74883 239.3991 13.62950 239.8812 12.01091 240.3633 10.99260 240.8454 10.88820 241.3276 10.58914 241.8097 9.942810 242.2918 9.145966 242.7739 8.668869 243.2560 8.759384 243.7381 8.794495 244.2203 8.532623 244.7024 7.890228 245.1845 7.140823 245.6666 6.027283 246.1487 4.935471 246.6308 4.680252 247.1130 5.811172 247.5951 6.847107 248.0772 7.210068 248.5593 6.668564 249.0414 6.380768 249.5235 6.396149 250.0057 6.601013 250.4878 6.831497 250.9699 7.008331 251.4520 7.394165 251.9341 8.073318 252.4162 9.088440 252.8984 10.24338 253.3805 11.70175 253.8626 13.13559 254.3447 13.99933 254.8268 14.08536 255.3089 14.15283 255.7911 14.34984 256.2732 14.65479 256.7553 15.16232 257.2374 15.93396 257.7195 16.97311 258.2017 18.30130 258.6838 20.17542 259.1659 21.64493 259.6480 22.44348 260.1301 22.54483 260.6122 22.76343 261.0944 23.21606 261.5765 23.66199 262.0586 23.85623 262.5407 23.78043 263.0228 23.48065 263.5049 22.92706 263.9871 22.13950 264.4692 21.37762 264.9513 20.71597 265.4334 19.92337 265.9155 18.77982 266.3976 17.23651 266.8798 15.68738 267.3619 14.14136 267.8440 12.58850 268.3261 11.09073 268.8082 9.586975 269.2903 8.266541 269.7725 7.428589 270.2546 7.276581 270.7367 6.648743 271.2188 5.215576 271.7009 3.216370 272.1830 1.631409 272.6652 0.5183410 273.1473 0.3169560 273.6294 0.9627690 274.1115 1.387482 274.5936 1.822571 275.0757 2.316864 275.5579 2.821625 276.0400 3.206604 276.5221 3.478180 277.0042 3.614197 277.4863 3.626892 277.9684 3.525909 278.4506 3.148834 278.9327 2.406860 279.4148 1.480377 279.8969 0.7868650 280.3790 0.3661500 280.8611 0.1147460 281.3433 0.8919370 281.8254 1.968750 282.3075 2.806732 282.7896 3.272552 283.2717 3.779205 283.7538 5.143036 284.2360 7.402069 284.7181 9.564789 285.2002 10.91602 285.6823 11.62323 286.1644 13.38733 286.6465 16.38199 287.1287 19.72247 287.6108 22.23053 288.0929 23.94531 288.5750 25.59634 289.0571 27.26474 289.5392 29.08749 290.0214 31.85062 290.5035 35.67111 290.9856 39.36316 291.4677 41.19620 291.9498 41.54727 292.4319 42.75052 292.9141 46.06827 293.3962 50.40829 293.8783 53.03540 294.3604 53.91541 294.8425 54.53806 295.3246 56.30554 295.8068 58.90674 296.2889 61.23114 296.7710 62.94922 297.2531 64.38727 297.7352 66.16177 298.2173 68.20691 298.6995 70.03171 299.1816 70.75778 299.6637 71.03180 300.1458 72.28757 300.6279 75.01907 301.1100 78.29968 301.5922 81.13202 302.0743 83.54019 302.5564 85.62732 303.0385 87.24426 303.5206 88.64835 304.0027 90.31100 304.4849 92.34872 304.9670 94.32404 305.4491 95.78775 305.9312 96.84610 306.4133 97.75443 306.8954 98.44287 307.3776 99.16071 307.8597 100.3184 308.3418 102.0187 308.8239 103.4305 309.3060 103.7343 309.7881 103.3923 310.2703 103.1229 310.7524 103.7098 311.2345 104.1231 311.7166 103.4188 312.1987 101.6252 312.6808 99.86197 313.1630 98.75012 313.6451 97.98383 314.1272 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341.1257 439.9170 341.6078 454.4879 342.0899 470.7706 342.5721 488.6945 343.0542 505.9618 343.5363 521.8040 344.0184 536.3432 344.5005 550.4788 344.9826 564.1877 345.4648 576.6818 345.9469 586.8436 346.4290 594.9854 346.9111 602.5157 347.3932 609.9409 347.8753 616.5436 348.3575 620.7236 348.8396 622.5984 349.3217 623.3835 349.8038 623.6460 350.2859 623.3485 350.7680 622.2566 351.2502 620.1241 351.7323 617.8112 352.2144 616.4108 352.6965 615.7861 353.1786 615.4025 353.6607 613.8134 354.1429 612.6931 354.6250 614.4711 355.1071 619.3692 355.5892 625.5875 356.0713 631.9860 356.5534 638.6489 357.0356 645.7692 357.5177 653.8947 357.9998 662.2176 358.4819 669.9096 358.9640 677.1309 359.4461 684.5075 359.9283 693.1201 360.4104 701.5479 360.8925 708.7279 361.3746 714.7661 361.8567 718.9910 362.3388 721.1208 362.8210 721.2060 363.3031 719.4256 363.7852 715.5668 364.2673 710.0639 364.7494 703.1531 365.2315 694.9422 365.7137 684.8979 366.1958 672.7899 366.6779 658.9962 367.1600 643.8099 367.6421 626.5751 368.1242 608.6304 368.6064 590.3566 369.0885 571.7149 369.5706 552.0629 370.0527 530.2368 370.5348 508.2067 371.0169 486.8863 371.4991 466.2750 371.9812 446.8441 372.4633 429.3638 372.9454 413.0042 373.4275 395.0592 373.9096 374.3167 374.3918 353.7225 374.8739 335.0521 375.3560 318.4115 375.8381 302.1580 376.3202 286.2909 376.8023 271.0550 377.2845 256.9672 377.7666 244.2658 378.2487 231.9984 378.7308 220.1138 379.2129 208.4912 379.6950 197.4844 380.1772 186.9874 380.6593 177.1378 381.1414 167.9449 381.6235 159.4663 382.1056 151.4431 382.5877 143.9680 383.0699 136.8440 383.5520 129.5374 384.0341 122.0586 384.5162 115.2374 384.9983 110.2898 385.4804 106.2179 385.9626 100.5392 386.4447 92.75722 386.9268 84.72379 387.4089 78.37518 387.8910 73.18864 388.3731 68.15179 388.8553 62.65820 389.3374 57.17863 389.8195 52.28780 390.3016 48.02931 390.7837 43.85654 391.2658 39.31116 391.7480 34.79564 392.2301 30.73013 392.7122 27.31918 393.1943 24.26454 393.6764 21.52232 394.1585 19.05598 394.6407 16.81895 395.1228 14.89096 395.6049 13.09393 396.0870 11.31317 396.5691 9.530701 397.0512 7.833374 397.5334 6.149994 398.0155 4.579193 398.4976 3.272232 398.9797 2.344742 399.4618 1.552261 399.9439 0.9351960 400.4261 0.5020140 400.9082 0.1566620 401.3903 1.354553 401.8724 2.503784 402.3545 3.198227 402.8366 3.141281 403.3188 3.273483 403.8009 3.785065 404.2830 4.460007 404.7651 4.664413 405.2472 4.168182 405.7293 3.836609 406.2115 4.137863 406.6936 5.093781 407.1757 5.756592 407.6578 6.132523 408.1399 6.209885 408.6220 5.740738 409.1042 4.747620 409.5863 4.333481 410.0684 5.088165 410.5505 6.374542 411.0326 6.577087 411.5147 5.730743 411.9969 4.862137 412.4790 4.947876 412.9611 5.542282 413.4432 5.499588 413.9253 4.566269 414.4074 3.394867 414.8896 2.598251 415.3717 2.101120 415.8538 1.735168 416.3359 1.642868 416.8180 1.503632 417.3001 0.9190830 417.7823 0.1013950 418.2644 1.020920 418.7465 1.491394 419.2286 1.736832 419.7107 1.969070 420.1928 2.229233 420.6750 2.497437 421.1571 2.679581 421.6392 2.853943 422.1213 3.230728 422.6034 4.352997 423.0855 5.271469 423.5677 5.472687 424.0498 4.611389 424.5319 4.150055 425.0140 4.503632 425.4961 5.164169 425.9782 5.623718 426.4604 5.798523 426.9425 5.894287 427.4246 5.869049 427.9067 5.764160 428.3888 5.915344 428.8709 6.478348 429.3531 7.023514 429.8352 7.267624 430.3173 7.118790 430.7994 7.115372 431.2815 7.245956 431.7636 7.559555 432.2458 8.266968 432.7279 9.402786 433.2100 10.30246 433.6921 10.63083 434.1742 10.55447 434.6563 10.61360 435.1385 10.79922 435.6206 11.23712 436.1027 12.33478 436.5848 13.77921 437.0669 14.60641 437.5490 14.42075 438.0312 14.11563 438.5133 14.77448 438.9954 16.15326 439.4775 17.57097 439.9596 18.84312 440.4417 19.89828 440.9239 20.52571 441.4060 20.71535 441.8881 21.08870 442.3702 22.04630 442.8523 23.33669 443.3344 24.73221 443.8166 26.42583 444.2987 27.91469 444.7808 29.10876 445.2629 29.98634 445.7450 30.48885 446.2271 30.13748 446.7093 29.80359 447.1914 29.90057 447.6735 30.70328 448.1556 31.05301 448.6377 30.78671 449.1198 30.17667 449.6020 29.45908 450.0841 28.55899 450.5662 27.76471 451.0483 27.20239 451.5304 26.77388 452.0125 26.02998 452.4947 24.88100 452.9768 23.66937 453.4589 22.58998 453.9410 21.63622 454.4231 20.58037 454.9052 19.37910 455.3874 18.13651 455.8695 17.02904 456.3516 16.01178 456.8337 14.78043 457.3158 13.00264 457.7979 11.11940 458.2801 9.974701 458.7622 9.486847 459.2443 9.135223 459.7264 8.638138 460.2085 8.088577 460.6906 7.653076 461.1728 7.368134 461.6549 7.037430 462.1370 6.448639 462.6191 5.774902 463.1012 5.279724 463.5833 5.053436 464.0655 4.958450 464.5476 4.979492 465.0297 5.104004 465.5118 5.151871 465.9939 4.888153 466.4760 4.723175 466.9582 4.918686 467.4403 5.756882 467.9224 6.307877 468.4045 6.377335 468.8866 6.243820 469.3687 6.263062 469.8509 6.378296 470.3330 6.684433 470.8151 7.187607 471.2972 7.924210 471.7793 8.953049 472.2614 10.40459 472.7436 11.86874 473.2257 12.97942 473.7078 13.72458 474.1899 14.72931 474.6720 16.09068 475.1541 17.64482 475.6363 19.23701 476.1184 20.82799 476.6005 22.18748 477.0826 22.94417 477.5647 23.57243 478.0468 25.02061 478.5290 27.20715 479.0111 29.38507 479.4932 31.05789 479.9753 32.42393 480.4574 33.64514 480.9395 34.62256 481.4217 35.82907 481.9038 37.87595 482.3859 40.23230 482.8680 42.10371 483.3501 42.56885 483.8322 43.14084 484.3144 44.43605 484.7965 46.40874 485.2786 48.35818 485.7607 50.22343 486.2428 51.98300 486.7249 53.63939 487.2071 55.18805 487.6892 56.59055 488.1713 57.79179 488.6534 58.88054 489.1355 60.00513 489.6176 61.20287 490.0998 62.40189 490.5819 63.72881 491.0640 65.05336 491.5461 65.51927 492.0282 65.00856 492.5103 64.55968 492.9925 65.11644 493.4746 66.43353 493.9567 67.08150 494.4388 66.85669 494.9209 66.53871 495.4030 66.98061 495.8852 68.02115 496.3673 69.27197 496.8494 70.53543 497.3315 71.97816 497.8136 73.85411 498.2957 76.08551 498.7779 78.28828 499.2600 79.72229 499.7421 81.45490 500.2242 84.27464 500.7063 88.43893 501.1884 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