#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:45 +0300 (Thu, 24 May 2018) $ #$Revision: 908 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000385.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_1000385 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 R100049 _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 R100049.rod _rod_data_source.block 3500000 _rod_database.code 1000385 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 91.53320 0.0000000E+00 92.01532 4.275299 92.49744 6.847031 92.97955 8.377319 93.46167 8.163712 93.94379 7.350220 94.42590 7.034119 94.90802 6.953629 95.39014 6.392883 95.87225 5.295685 96.35437 4.247818 96.83649 3.432816 97.31860 2.977928 97.80072 2.751472 98.28284 2.624878 98.76495 2.517937 99.24707 2.267776 99.72919 1.591446 100.2113 1.181046 100.6934 1.150948 101.1755 1.524208 101.6577 1.986740 102.1398 2.054253 102.6219 1.477463 103.1040 1.257637 103.5861 1.447891 104.0682 1.877663 104.5504 2.783638 105.0325 3.925224 105.5146 5.014946 105.9967 5.935623 106.4788 6.199997 106.9609 5.992096 107.4431 5.312637 107.9252 4.723610 108.4073 4.528999 108.8894 4.620613 109.3715 4.675690 109.8536 4.366913 110.3358 3.958397 110.8179 3.470726 111.3000 2.999680 111.7821 3.444504 112.2642 4.091141 112.7463 4.977638 113.2285 5.778091 113.7106 6.162865 114.1927 6.046356 114.6748 5.577736 115.1569 5.151955 115.6390 5.036545 116.1212 4.933151 116.6033 4.231964 117.0854 3.051010 117.5675 2.099762 118.0496 1.736710 118.5317 1.789185 119.0139 1.588120 119.4960 0.9233930 119.9781 0.4077450 120.4602 7.5026996E-02 120.9423 1.8250000E-02 121.4244 8.1069998E-02 121.9066 0.3633040 122.3887 0.8604660 122.8708 1.052055 123.3529 0.7624890 123.8350 0.4045330 124.3171 0.1003720 124.7993 0.1147840 125.2814 0.1891330 125.7635 2.8175000E-02 126.2456 0.4445570 126.7277 0.7206570 127.2098 0.7613680 127.6920 0.6148300 128.1741 0.2281800 128.6562 0.4706500 129.1383 1.115471 129.6204 1.025551 130.1025 0.2843320 130.5847 0.1427460 131.0668 0.4625700 131.5489 1.763084 132.0310 2.557846 132.5131 2.386429 132.9952 1.824753 133.4774 1.351959 133.9595 0.9827800 134.4416 0.7202070 134.9237 0.5955660 135.4058 0.6262740 135.8879 0.6586910 136.3701 0.7426830 136.8522 0.7672270 137.3343 0.5920940 137.8164 0.1913680 138.2985 0.2321620 138.7806 0.3274610 139.2628 6.8274997E-02 139.7449 0.5331650 140.2270 1.272835 140.7091 1.940681 141.1912 2.165604 141.6733 1.780777 142.1555 0.9753650 142.6376 0.4098820 143.1197 0.2191930 143.6018 0.1411440 144.0839 0.3256610 144.5660 0.5876390 145.0482 0.5695110 145.5303 1.4110000E-03 146.0124 0.9752040 146.4945 1.219620 146.9766 4.0801998E-02 147.4587 1.104340 147.9409 1.149193 148.4230 0.3158110 148.9051 0.6950230 149.3872 1.822922 149.8693 2.708145 150.3514 3.471062 150.8336 4.062508 151.3157 4.559860 151.7978 4.904083 152.2799 5.037964 152.7620 5.449379 153.2441 6.750267 153.7263 8.580833 154.2084 10.42198 154.6905 12.03324 155.1726 13.53847 155.6547 15.29987 156.1368 17.58522 156.6190 19.60580 157.1011 20.70539 157.5832 21.26685 158.0653 22.06278 158.5474 23.70107 159.0295 26.10545 159.5117 28.22135 159.9938 29.53709 160.4759 31.08428 160.9580 33.27084 161.4401 36.01001 161.9222 38.98593 162.4044 41.86877 162.8865 44.57820 163.3686 47.80219 163.8507 51.82225 164.3328 56.08010 164.8149 60.52249 165.2971 65.05848 165.7792 69.35951 166.2613 73.04663 166.7434 75.76946 167.2255 78.86564 167.7076 82.68934 168.1898 86.59333 168.6719 89.92445 169.1540 92.63064 169.6361 95.35566 170.1182 99.02304 170.6003 103.9565 171.0825 109.2095 171.5646 115.0214 172.0467 121.0055 172.5288 126.7008 173.0109 131.9613 173.4930 137.0182 173.9752 142.5246 174.4573 148.7703 174.9394 153.8861 175.4215 157.6200 175.9036 159.8643 176.3857 160.3439 176.8679 158.9453 177.3500 155.5629 177.8321 150.3068 178.3142 143.1903 178.7963 134.9821 179.2784 125.6049 179.7606 115.1920 180.2427 105.3827 180.7248 96.77014 181.2069 88.78101 181.6890 80.94814 182.1711 73.20479 182.6533 65.70248 183.1354 58.48396 183.6175 51.51999 184.0996 45.22546 184.5817 39.89595 185.0638 35.14345 185.5460 30.95909 186.0281 27.30661 186.5102 23.86207 186.9923 20.08776 187.4744 15.61726 187.9565 12.06252 188.4387 9.793991 188.9208 8.161057 189.4029 6.891724 189.8850 5.904091 190.3671 5.055244 190.8492 3.910843 191.3314 1.888969 191.8135 0.5555110 192.2956 0.3247600 192.7777 0.5586470 193.2598 0.7092590 193.7419 0.5635220 194.2241 0.2616730 194.7062 0.1510850 195.1883 0.2475360 195.6704 0.5874020 196.1525 1.154243 196.6346 1.949913 197.1168 3.115891 197.5989 4.731133 198.0810 6.475571 198.5631 7.428680 199.0452 6.870728 199.5273 6.624039 200.0095 7.060593 200.4916 7.968315 200.9737 9.045189 201.4558 10.18406 201.9379 11.37727 202.4200 12.64182 202.9022 13.90109 203.3843 15.33857 203.8664 17.05325 204.3485 18.99282 204.8306 20.99067 205.3127 22.93048 205.7949 24.94202 206.2770 27.22080 206.7591 29.78960 207.2412 32.50877 207.7233 35.37125 208.2054 38.36023 208.6876 41.27908 209.1697 43.96440 209.6518 46.61047 210.1339 49.43631 210.6160 52.41513 211.0981 55.63498 211.5803 59.36363 212.0624 63.67123 212.5445 67.74809 213.0266 70.70432 213.5087 73.58521 213.9908 77.53007 214.4730 82.83488 214.9551 88.41520 215.4372 92.84290 215.9193 95.87586 216.4014 99.25097 216.8836 103.5036 217.3657 108.2550 217.8478 113.2760 218.3299 118.4886 218.8120 124.1546 219.2941 130.5353 219.7763 137.5805 220.2584 145.4865 220.7405 154.6222 221.2226 164.3545 221.7047 174.2813 222.1868 184.2925 222.6690 194.5863 223.1511 205.4906 223.6332 217.2561 224.1153 229.2821 224.5974 241.7754 225.0795 254.1904 225.5617 266.1833 226.0438 277.6646 226.5259 288.9085 227.0080 300.3675 227.4901 311.8327 227.9722 323.8907 228.4544 335.7364 228.9365 348.5282 229.4186 363.5188 229.9007 380.8706 230.3828 399.2673 230.8649 416.3321 231.3471 432.2959 231.8292 446.3272 232.3113 460.7401 232.7934 472.1267 233.2755 477.9571 233.7576 477.4456 234.2398 471.1729 234.7219 460.0471 235.2040 442.2019 235.6861 421.7485 236.1682 397.7622 236.6503 371.7487 237.1325 344.4863 237.6146 316.4065 238.0967 288.4967 238.5788 262.1511 239.0609 237.3444 239.5430 215.0443 240.0252 196.0078 240.5073 179.2819 240.9894 164.2178 241.4715 150.5834 241.9536 138.3508 242.4357 127.4987 242.9179 118.1939 243.4000 109.8680 243.8821 102.4630 244.3642 96.05750 244.8463 90.98104 245.3284 87.31980 245.8106 84.25829 246.2927 80.72807 246.7748 76.66659 247.2569 73.50690 247.7390 72.02440 248.2211 71.30273 248.7033 70.19218 249.1854 68.47180 249.6675 66.75848 250.1496 65.75242 250.6317 65.34507 251.1138 64.91624 251.5960 64.13909 252.0781 63.35426 252.5602 63.11951 253.0423 63.58002 253.5244 64.04874 254.0065 63.73354 254.4887 62.92085 254.9708 62.41029 255.4529 62.82686 255.9350 63.48671 256.4171 63.27115 256.8992 61.94600 257.3813 60.67657 257.8635 60.52178 258.3456 60.97858 258.8277 61.25055 259.3098 61.20757 259.7919 60.80209 260.2740 59.98154 260.7562 58.75762 261.2383 57.06621 261.7204 54.74973 262.2025 51.95444 262.6846 48.71393 263.1667 44.88608 263.6489 40.80204 264.1310 36.86125 264.6131 33.06226 265.0952 29.41054 265.5773 26.14050 266.0594 22.94661 266.5416 19.44321 267.0237 15.40715 267.5058 11.35242 267.9879 7.957069 268.4700 5.322166 268.9521 2.927734 269.4343 0.6068500 269.9164 1.541199 270.3985 3.376625 270.8806 4.855927 271.3627 6.138878 271.8448 7.434952 272.3270 8.785301 272.8091 9.964088 273.2912 10.92262 273.7733 11.67966 274.2554 12.19788 274.7375 12.47960 275.2197 12.62616 275.7018 12.77058 276.1839 12.93919 276.6660 12.93925 277.1481 12.75079 277.6302 12.36229 278.1124 11.72899 278.5945 10.85759 279.0766 9.826797 279.5587 8.687996 280.0408 7.427849 280.5229 6.144814 281.0051 5.056923 281.4872 3.745880 281.9693 1.896973 282.4514 0.3743970 282.9335 2.668335 283.4156 4.506020 283.8978 5.864265 284.3799 7.861977 284.8620 10.93477 285.3441 14.27558 285.8262 17.53671 286.3083 20.83905 286.7905 24.48434 287.2726 28.67070 287.7547 33.38000 288.2368 38.35503 288.7189 43.31874 289.2010 48.97395 289.6832 55.75898 290.1653 63.23875 290.6474 70.88821 291.1295 78.41753 291.6116 85.77513 292.0938 92.71862 292.5759 99.34597 293.0580 105.2819 293.5401 110.0041 294.0222 114.2521 294.5043 118.8363 294.9865 124.1316 295.4686 129.8317 295.9507 135.1826 296.4328 139.9393 296.9149 144.7589 297.3970 150.1864 297.8792 155.4450 298.3613 159.6643 298.8434 162.6434 299.3255 165.0941 299.8076 168.1299 300.2897 171.7489 300.7719 176.0461 301.2540 180.2634 301.7361 185.5668 302.2182 192.7374 302.7003 201.8909 303.1824 212.7199 303.6646 225.0535 304.1467 239.1093 304.6288 253.8191 305.1109 268.6275 305.5930 284.6065 306.0751 302.6151 306.5573 322.3688 307.0394 342.9064 307.5215 363.6644 308.0036 384.9315 308.4857 403.8004 308.9678 421.0797 309.4500 435.0295 309.9321 445.7839 310.4142 452.7556 310.8963 454.9013 311.3784 451.4018 311.8605 442.5491 312.3427 430.8283 312.8248 415.1208 313.3069 397.2881 313.7890 375.9984 314.2711 353.3228 314.7532 331.5355 315.2354 311.8705 315.7175 293.8929 316.1996 276.5240 316.6817 258.4681 317.1638 243.2684 317.6459 231.0415 318.1281 221.5590 318.6102 214.9234 319.0923 211.0911 319.5744 209.5113 320.0565 209.1384 320.5386 209.1932 321.0208 212.5316 321.5029 220.2892 321.9850 230.0060 322.4671 240.6712 322.9492 251.9344 323.4313 263.4913 323.9135 275.6022 324.3956 288.9559 324.8777 299.1540 325.3598 306.7014 325.8419 310.6432 326.3240 309.4688 326.8062 304.1371 327.2883 296.9115 327.7704 289.2418 328.2525 281.2043 328.7346 273.6508 329.2167 265.4699 329.6989 259.2308 330.1810 255.9478 330.6631 254.8581 331.1452 254.9061 331.6273 255.5552 332.1094 256.9004 332.5916 259.1870 333.0737 262.3690 333.5558 266.7620 334.0379 272.5490 334.5200 279.3002 335.0021 286.5412 335.4843 294.1534 335.9664 302.3567 336.4485 311.5710 336.9306 322.2258 337.4127 332.7301 337.8948 342.5352 338.3770 352.4815 338.8591 362.9038 339.3412 373.9612 339.8233 385.7000 340.3055 398.0710 340.7876 410.8300 341.2697 425.0923 341.7518 442.2628 342.2339 459.5719 342.7160 475.4630 343.1982 490.6212 343.6803 506.7598 344.1624 524.8190 344.6445 544.8247 345.1266 566.9122 345.6087 591.1055 346.0909 617.6379 346.5730 647.1784 347.0551 678.4855 347.5372 709.6109 348.0193 739.9071 348.5014 770.3364 348.9836 803.8546 349.4657 841.9656 349.9478 877.5819 350.4299 908.0502 350.9120 935.8817 351.3941 962.6448 351.8763 988.5945 352.3584 1012.907 352.8405 1035.024 353.3226 1055.072 353.8047 1071.162 354.2868 1080.705 354.7690 1088.360 355.2511 1096.780 355.7332 1105.954 356.2153 1115.197 356.6974 1123.401 357.1795 1131.213 357.6617 1141.050 358.1438 1152.670 358.6259 1167.027 359.1080 1183.845 359.5901 1203.321 360.0722 1226.192 360.5544 1251.943 361.0365 1282.123 361.5186 1319.201 362.0007 1363.108 362.4828 1413.590 362.9649 1471.873 363.4471 1536.648 363.9292 1606.802 364.4113 1682.667 364.8934 1762.794 365.3755 1848.587 365.8576 1938.707 366.3398 2027.358 366.8219 2118.778 367.3040 2199.976 367.7861 2262.073 368.2682 2305.899 368.7503 2325.946 369.2325 2320.246 369.7146 2289.238 370.1967 2232.034 370.6788 2147.283 371.1609 2043.450 371.6430 1920.602 372.1252 1782.714 372.6073 1646.156 373.0894 1510.484 373.5715 1379.288 374.0536 1254.383 374.5357 1136.729 375.0179 1028.876 375.5000 933.3043 375.9821 849.4691 376.4642 774.1885 376.9463 707.5114 377.4284 647.9683 377.9106 596.8306 378.3927 552.3870 378.8748 511.9532 379.3569 474.8938 379.8390 441.2621 380.3211 411.5919 380.8033 386.6709 381.2854 361.6196 381.7675 335.3592 382.2496 309.5536 382.7317 285.2607 383.2138 262.5981 383.6960 241.3630 384.1781 221.2066 384.6602 202.2787 385.1423 185.3893 385.6244 170.8761 386.1065 157.5523 386.5887 145.2077 387.0708 133.8248 387.5529 123.4219 388.0350 114.0162 388.5171 105.4218 388.9992 97.17595 389.4814 88.98644 389.9635 81.74707 390.4456 75.81660 390.9277 70.57588 391.4098 65.51917 391.8919 60.59596 392.3741 56.05092 392.8562 52.24214 393.3383 49.31493 393.8204 45.87565 394.3025 40.98923 394.7846 36.58770 395.2668 33.32416 395.7489 31.01807 396.2310 29.34518 396.7131 28.16957 397.1952 27.28690 397.6773 25.95415 398.1595 23.80083 398.6416 21.78696 399.1237 20.00847 399.6058 18.41624 400.0879 16.98312 400.5700 15.69482 401.0522 14.52169 401.5343 13.41044 402.0164 12.36313 402.4985 11.40197 402.9806 10.43220 403.4627 9.657814 403.9449 9.186615 404.4270 8.998154 404.9091 9.039040 405.3912 9.383667 405.8733 9.857788 406.3554 9.799774 406.8376 8.841217 407.3197 8.177811 407.8018 8.847702 408.2839 9.778206 408.7660 9.768898 409.2481 8.420204 409.7303 6.787003 410.2124 5.887650 410.6945 5.688713 411.1766 5.644264 411.6587 5.745003 412.1408 5.831696 412.6230 5.827736 413.1051 5.720901 413.5872 5.374870 414.0693 4.820236 414.5514 3.958862 415.0335 2.350464 415.5157 0.1391140 415.9978 2.137352 416.4799 2.500237 416.9620 1.703194 417.4441 1.339180 417.9262 1.518059 418.4084 2.068146 418.8905 3.184418 419.3726 4.607613 419.8547 5.608589 420.3368 5.885742 420.8189 5.827415 421.3011 6.060356 421.7832 6.679611 422.2653 7.164856 422.7474 7.326767 423.2295 7.422462 423.7116 7.695465 424.1938 8.146782 424.6759 8.638336 425.1580 9.114166 425.6401 9.551323 426.1222 9.516769 426.6043 8.450859 427.0865 7.641045 427.5686 7.713303 428.0507 8.136719 428.5328 8.106422 429.0149 7.322319 429.4970 6.198181 429.9792 5.492142 430.4613 5.599922 430.9434 5.242287 431.4255 3.965584 431.9076 2.703850 432.3897 2.151077 432.8719 2.133400 433.3540 1.922653 433.8361 0.9043350 434.3182 0.7927250 434.8003 2.259514 435.2824 3.475929 435.7646 4.458344 436.2467 5.083755 436.7288 5.569191 437.2109 6.141953 437.6930 6.874161 438.1751 7.657845 438.6573 8.213608 439.1394 8.483231 439.6215 9.413208 440.1036 11.60636 440.5857 13.98416 441.0678 15.86122 441.5500 17.31984 442.0321 18.71149 442.5142 19.92951 442.9963 21.30846 443.4784 23.54726 443.9605 26.71708 444.4427 30.18713 444.9248 33.51797 445.4069 37.05211 445.8890 41.25871 446.3711 46.20718 446.8532 51.72611 447.3354 57.68299 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