#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:21:12 +0300 (Thu, 24 May 2018) $ #$Revision: 666 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000192.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_1000192 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 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 R050311.rod _rod_data_source.block 3500000 _rod_database.code 1000192 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 96.69257 0.0000000E+00 97.17468 0.4784600 97.65680 0.6812810 98.13892 0.2618990 98.62103 0.1468850 99.10315 0.4615360 99.58527 1.075085 100.0674 1.642186 100.5495 2.267585 101.0316 1.869281 101.5137 1.528753 101.9958 1.278131 102.4780 0.9870660 102.9601 0.5457700 103.4422 0.1211110 103.9243 0.4283750 104.4064 0.2728300 104.8885 0.1752610 105.3707 0.6542150 105.8528 1.274716 106.3349 1.757170 106.8170 1.972712 107.2991 1.758592 107.7813 1.585557 108.2634 1.502539 108.7455 1.468562 109.2276 1.335821 109.7097 0.6820820 110.1918 0.2420720 110.6740 0.3206270 111.1561 1.612283 111.6382 2.650394 112.1203 3.166798 112.6024 3.265024 113.0845 3.526323 113.5667 4.216225 114.0488 4.999840 114.5309 5.663460 115.0130 6.113457 115.4951 6.470966 115.9772 6.710066 116.4594 6.843082 116.9415 7.074324 117.4236 7.624130 117.9057 8.265203 118.3878 8.750788 118.8699 8.744677 119.3521 8.751055 119.8342 9.074425 120.3163 9.749372 120.7984 10.56599 121.2805 11.48202 121.7626 12.45224 122.2448 13.39596 122.7269 14.58379 123.2090 15.56965 123.6911 15.73777 124.1732 14.83882 124.6553 13.89661 125.1375 14.03842 125.6196 14.97243 126.1017 15.77497 126.5838 15.59533 127.0659 14.96477 127.5480 14.90548 128.0302 15.71410 128.5123 16.82161 128.9944 17.47104 129.4765 17.69231 129.9586 17.77211 130.4407 17.87813 130.9229 18.00422 131.4050 18.14081 131.8871 18.30918 132.3692 18.45472 132.8513 18.31296 133.3334 17.76856 133.8156 17.18923 134.2977 17.20582 134.7798 17.95056 135.2619 18.60365 135.7440 18.99221 136.2261 19.14833 136.7083 19.22594 137.1904 19.19183 137.6725 19.19210 138.1546 19.51540 138.6367 20.30367 139.1188 20.64873 139.6010 20.22190 140.0831 19.02561 140.5652 17.97121 141.0473 17.00892 141.5294 16.23151 142.0115 15.80724 142.4937 15.87200 142.9758 15.95672 143.4579 15.93380 143.9400 15.78695 144.4221 15.60836 144.9042 15.43433 145.3864 15.21874 145.8685 14.87727 146.3506 14.00705 146.8327 13.44816 147.3148 13.58176 147.7969 14.92795 148.2791 15.56080 148.7612 15.09150 149.2433 14.08187 149.7254 13.60173 150.2075 13.92552 150.6896 14.47969 151.1718 15.05556 151.6539 15.45016 152.1360 16.09057 152.6181 17.30007 153.1002 18.83273 153.5823 19.94509 154.0645 20.27990 154.5466 20.40969 155.0287 20.62071 155.5108 21.07903 155.9929 21.46444 156.4750 21.49327 156.9572 21.33352 157.4393 21.64908 157.9214 23.14130 158.4035 24.81266 158.8856 26.05116 159.3677 26.07744 159.8499 26.30940 160.3320 27.36559 160.8141 29.08266 161.2962 30.47104 161.7783 30.87672 162.2604 30.97174 162.7426 31.29469 163.2247 32.16043 163.7068 33.10991 164.1889 33.87509 164.6710 34.47050 165.1531 35.25964 165.6353 36.43904 166.1174 37.89544 166.5995 39.50695 167.0816 41.39766 167.5637 43.30416 168.0458 45.01191 168.5280 46.50180 169.0101 48.07174 169.4922 49.86815 169.9743 51.84887 170.4564 53.94482 170.9385 56.23104 171.4207 58.55787 171.9028 60.81333 172.3849 62.98141 172.8670 65.07552 173.3491 67.48142 173.8312 69.83284 174.3134 71.43318 174.7955 71.71381 175.2776 71.17389 175.7597 70.47553 176.2418 69.69527 176.7239 68.32844 177.2061 65.79000 177.6882 62.25108 178.1703 58.23373 178.6524 53.72363 179.1345 48.91764 179.6166 44.12148 180.0988 39.26354 180.5809 34.64410 181.0630 30.57300 181.5451 26.98788 182.0272 23.80522 182.5093 20.90958 182.9915 18.34862 183.4736 16.37609 183.9557 15.07972 184.4378 14.04421 184.9199 12.57293 185.4020 10.77251 185.8842 9.244499 186.3663 8.609524 186.8484 8.577202 187.3305 8.071445 187.8126 6.937439 188.2947 5.502632 188.7769 4.166042 189.2590 2.933578 189.7411 1.940689 190.2232 1.291630 190.7053 0.9615970 191.1874 0.8164290 191.6696 0.9045260 192.1517 1.063099 192.6338 0.9788510 193.1159 0.6455610 193.5980 0.2520980 194.0801 0.1309200 194.5623 0.4915620 195.0444 0.7145000 195.5265 0.7789460 196.0086 0.7826230 196.4907 0.8897170 196.9728 1.094597 197.4550 1.281845 197.9371 1.429329 198.4192 1.533981 198.9013 1.372307 199.3834 0.8559490 199.8655 0.2010730 200.3477 0.1229400 200.8298 8.5220002E-02 201.3119 4.6455000E-02 201.7940 0.1516880 202.2761 0.2403410 202.7582 0.1575550 203.2404 0.1954800 203.7225 0.6662370 204.2046 0.7841570 204.6867 0.4594500 205.1688 9.2583001E-02 205.6509 0.1157530 206.1331 0.1819460 206.6152 3.8910002E-02 207.0973 0.6415330 207.5794 1.496498 208.0615 2.227066 208.5436 2.839600 209.0258 3.314682 209.5079 3.580170 209.9900 3.560127 210.4721 3.670258 210.9542 3.929390 211.4363 4.344528 211.9185 4.974861 212.4006 5.900497 212.8827 6.875519 213.3648 7.687187 213.8469 8.247177 214.3290 9.024666 214.8112 10.14648 215.2933 11.48584 215.7754 12.57691 216.2575 13.21002 216.7396 13.99452 217.2217 15.33400 217.7038 17.41827 218.1860 19.47726 218.6681 21.51688 219.1502 23.48112 219.6323 25.05212 220.1144 25.99036 220.5965 26.92864 221.0787 28.19748 221.5608 29.82645 222.0429 31.67352 222.5250 33.77027 223.0071 36.10793 223.4892 38.55242 223.9714 41.30325 224.4535 43.93320 224.9356 46.17088 225.4177 47.79249 225.8998 49.31232 226.3819 50.53278 226.8641 51.72640 227.3462 53.84538 227.8283 57.42467 228.3104 61.09285 228.7925 64.07381 229.2746 66.02769 229.7568 68.18292 230.2389 70.59142 230.7210 73.20462 231.2031 75.87340 231.6852 78.67807 232.1673 81.46239 232.6495 84.06075 233.1316 86.14492 233.6137 88.82139 234.0958 92.41071 234.5779 96.51436 235.0600 99.99409 235.5422 102.9409 236.0243 105.1911 236.5064 106.7496 236.9885 107.9380 237.4706 107.7579 237.9527 106.3649 238.4349 103.5598 238.9170 98.65382 239.3991 90.58118 239.8812 82.00015 240.3633 74.01646 240.8454 66.98158 241.3276 59.62276 241.8097 51.56447 242.2918 43.41677 242.7739 36.63598 243.2560 31.68913 243.7381 27.38580 244.2203 23.25890 244.7024 19.12645 245.1845 15.70097 245.6666 13.12135 246.1487 11.18863 246.6308 9.492264 247.1130 8.058067 247.5951 6.815742 248.0772 5.786156 248.5593 5.040192 249.0414 4.212440 249.5235 3.193123 250.0057 2.161530 250.4878 1.413048 250.9699 1.061012 251.4520 0.7854000 251.9341 0.4374620 252.4162 7.1250997E-02 252.8984 0.2402730 253.3805 0.1263280 253.8626 0.7027440 254.3447 0.9849850 254.8268 0.8871150 255.3089 0.6652150 255.7911 0.3154530 256.2732 0.2169190 256.7553 0.3649670 257.2374 3.6681999E-02 257.7195 0.7053450 258.2017 1.217827 258.6838 1.338974 259.1659 1.811058 259.6480 2.984268 260.1301 4.892570 260.6122 6.302147 261.0944 7.114716 261.5765 7.565979 262.0586 7.874947 262.5407 7.959969 263.0228 8.123482 263.5049 8.432777 263.9871 8.894142 264.4692 9.381996 264.9513 9.888016 265.4334 10.42535 265.9155 11.10722 266.3976 12.07593 266.8798 12.65066 267.3619 12.64523 267.8440 12.11756 268.3261 11.52973 268.8082 10.90965 269.2903 10.17362 269.7725 9.171646 270.2546 7.796631 270.7367 6.710815 271.2188 6.080383 271.7009 5.803024 272.1830 5.454681 272.6652 5.033096 273.1473 4.549629 273.6294 4.017235 274.1115 3.444122 274.5936 2.734055 275.0757 1.791855 275.5579 0.7594830 276.0400 9.6396998E-02 276.5221 0.1392360 277.0042 0.2444460 277.4863 0.3898540 277.9684 0.5834200 278.4506 0.6818160 278.9327 0.6076810 279.4148 0.5184860 279.8969 0.7614360 280.3790 1.361702 280.8611 2.111435 281.3433 3.089203 281.8254 4.290932 282.3075 4.819077 282.7896 4.529518 283.2717 3.833176 283.7538 3.348808 284.2360 3.082260 284.7181 2.853752 285.2002 2.557831 285.6823 2.213333 286.1644 2.053322 286.6465 2.138878 287.1287 2.198570 287.6108 1.816544 288.0929 1.017509 288.5750 0.2531430 289.0571 0.2000660 289.5392 0.4842830 290.0214 1.214493 290.5035 2.425552 290.9856 3.755287 291.4677 4.739105 291.9498 5.461456 292.4319 6.411880 292.9141 7.804794 293.3962 9.494987 293.8783 11.16299 294.3604 12.80161 294.8425 14.47060 295.3246 16.26902 295.8068 18.16813 296.2889 20.03226 296.7710 21.85575 297.2531 23.63317 297.7352 25.34846 298.2173 26.99117 298.6995 28.54195 299.1816 29.88416 299.6637 31.12148 300.1458 32.45421 300.6279 33.96888 301.1100 35.50404 301.5922 36.83881 302.0743 38.00070 302.5564 39.10191 303.0385 40.03477 303.5206 41.00590 304.0027 42.39242 304.4849 44.29418 304.9670 46.33479 305.4491 48.05734 305.9312 49.61523 306.4133 51.37696 306.8954 53.41953 307.3776 55.81837 307.8597 58.67404 308.3418 62.04039 308.8239 65.61884 309.3060 69.20403 309.7881 72.88524 310.2703 76.68088 310.7524 80.69212 311.2345 84.86557 311.7166 89.37893 312.1987 94.17618 312.6808 98.31931 313.1630 101.0342 313.6451 102.9392 314.1272 104.7203 314.6093 107.2115 315.0914 109.0933 315.5735 109.6362 316.0557 108.9239 316.5378 107.5117 317.0199 105.5232 317.5020 103.0024 317.9841 99.90446 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248.8385 345.4648 259.7618 345.9469 271.6934 346.4290 284.7635 346.9111 298.7156 347.3932 313.6143 347.8753 329.3535 348.3575 345.2484 348.8396 361.2878 349.3217 378.3709 349.8038 397.0815 350.2859 417.1300 350.7680 438.0677 351.2502 460.0543 351.7323 482.1255 352.2144 502.9689 352.6965 522.9891 353.1786 542.8895 353.6607 564.5499 354.1429 585.7048 354.6250 603.2588 355.1071 617.0198 355.5892 629.0232 356.0713 641.0473 356.5534 652.2971 357.0356 661.5847 357.5177 667.4476 357.9998 672.1232 358.4819 676.4925 358.9640 680.7347 359.4461 685.7480 359.9283 691.9103 360.4104 699.0861 360.8925 706.9963 361.3746 714.6769 361.8567 724.6414 362.3388 738.0928 362.8210 754.5020 363.3031 772.9904 363.7852 792.7545 364.2673 814.9380 364.7494 840.4686 365.2315 870.1821 365.7137 900.5886 366.1958 931.8376 366.6779 962.8174 367.1600 992.5063 367.6421 1024.740 368.1242 1051.589 368.6064 1071.678 369.0885 1084.913 369.5706 1091.839 370.0527 1094.524 370.5348 1089.433 371.0169 1074.019 371.4991 1046.113 371.9812 1011.808 372.4633 970.2903 372.9454 922.5010 373.4275 872.4425 373.9096 818.6824 374.3918 764.1288 374.8739 710.8013 375.3560 657.8037 375.8381 607.1578 376.3202 559.1047 376.8023 513.8098 377.2845 471.6559 377.7666 432.9932 378.2487 397.3459 378.7308 365.6178 379.2129 337.1451 379.6950 310.3542 380.1772 284.8721 380.6593 261.8157 381.1414 242.3542 381.6235 226.3913 382.1056 211.3780 382.5877 196.8843 383.0699 183.1795 383.5520 170.8564 384.0341 159.7790 384.5162 149.7150 384.9983 140.3249 385.4804 131.7629 385.9626 124.4128 386.4447 118.4231 386.9268 113.0415 387.4089 107.6564 387.8910 102.2717 388.3731 97.02450 388.8553 91.83053 389.3374 86.87178 389.8195 82.53448 390.3016 78.83399 390.7837 75.05883 391.2658 70.73826 391.7480 66.18274 392.2301 61.69187 392.7122 57.19010 393.1943 52.99378 393.6764 49.44243 394.1585 46.35635 394.6407 43.29414 395.1228 40.05164 395.6049 36.81561 396.0870 33.59744 396.5691 30.33871 397.0512 27.37248 397.5334 24.67556 398.0155 22.32183 398.4976 20.43812 398.9797 19.69855 399.4618 18.69501 399.9439 16.94101 400.4261 14.44202 400.9082 12.54793 401.3903 11.63843 401.8724 10.97030 402.3545 10.06922 402.8366 8.824669 403.3188 7.597755 403.8009 6.355057 404.2830 5.164925 404.7651 4.238449 405.2472 3.684448 405.7293 3.111755 406.2115 2.305969 406.6936 1.293030 407.1757 0.5654300 407.6578 0.1653370 408.1399 0.1211170 408.6220 0.6088870 409.1042 1.296173 409.5863 1.701866 410.0684 1.614037 410.5505 1.295372 411.0326 1.422134 411.5147 1.965210 411.9969 2.500237 412.4790 2.748680 412.9611 2.772690 413.4432 2.693161 413.9253 2.506256 414.4074 2.296265 414.8896 2.130653 415.3717 2.010376 415.8538 1.939774 416.3359 1.942848 416.8180 1.982765 417.3001 2.028313 417.7823 2.080704 418.2644 2.142975 418.7465 2.289307 419.2286 2.417725 419.7107 2.422752 420.1928 2.200104 420.6750 1.957886 421.1571 1.780693 421.6392 1.644485 422.1213 1.489288 422.6034 1.302177 423.0855 1.090630 423.5677 0.8492510 424.0498 0.5660930 424.5319 0.2964780 425.0140 0.1461030 425.4961 4.1443001E-02 425.9782 0.4407350 426.4604 1.373199 426.9425 2.045395 427.4246 2.267647 427.9067 2.110222 428.3888 2.035378 428.8709 2.025574 429.3531 2.128586 429.8352 2.396683 430.3173 2.861412 430.7994 3.311073 431.2815 3.731300 431.7636 4.145569 432.2458 4.615021 432.7279 5.147659 433.2100 5.583397 433.6921 5.849098 434.1742 5.976028 434.6563 6.045166 435.1385 6.053535 435.6206 6.092216 436.1027 6.239410 436.5848 6.478157 437.0669 6.771431 437.5490 7.128754 438.0312 7.501152 438.5133 7.774643 438.9954 8.013245 439.4775 8.393608 439.9596 9.361069 440.4417 10.28851 440.9239 10.43282 441.4060 9.751938 441.8881 9.242752 442.3702 9.666679 442.8523 10.45434 443.3344 11.06219 443.8166 11.26868 444.2987 11.36409 444.7808 11.38956 445.2629 11.36411 445.7450 11.34455 446.2271 11.31186 446.7093 11.31261 447.1914 11.36259 447.6735 11.46229 448.1556 11.61469 448.6377 11.87616 449.1198 12.15057 449.6020 12.30359 450.0841 12.11994 450.5662 12.30343 451.0483 13.21136 451.5304 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