#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:33 +0300 (Thu, 24 May 2018) $ #$Revision: 722 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000227.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_1000227 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 R060326 _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 R060326.rod _rod_data_source.block 3500000 _rod_database.code 1000227 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 130.6787 0.0000000E+00 131.1608 6.1347999E-02 131.6429 0.1636510 132.1251 0.5385820 132.6072 0.6932680 133.0893 0.6343690 133.5714 0.5398180 134.0535 0.3448490 134.5356 0.2492830 135.0178 0.5824580 135.4999 1.340225 135.9820 2.078606 136.4641 2.585548 136.9462 2.870163 137.4283 3.299606 137.9105 3.887749 138.3926 4.596069 138.8747 5.370140 139.3568 6.236687 139.8389 7.092117 140.3210 7.836868 140.8032 8.407890 141.2853 9.251122 141.7674 10.43452 142.2495 11.84238 142.7316 13.10208 143.2137 13.86427 143.6959 14.06063 144.1780 14.19231 144.6601 14.15944 145.1422 14.33958 145.6243 14.83472 146.1064 15.54633 146.5886 16.11905 147.0707 16.43053 147.5528 16.74452 148.0349 17.20467 148.5170 17.96964 148.9991 18.63152 149.4813 19.11120 149.9634 19.44294 150.4455 19.83569 150.9276 20.39930 151.4097 20.92994 151.8918 21.28989 152.3740 21.01759 152.8561 21.09879 153.3382 21.73491 153.8203 22.90556 154.3024 24.04318 154.7845 25.09016 155.2667 26.08647 155.7488 27.08029 156.2309 28.24476 156.7130 29.21745 157.1951 29.80402 157.6772 29.97626 158.1594 30.33113 158.6415 31.20679 159.1236 32.23386 159.6057 33.05508 160.0878 33.23677 160.5699 33.49324 161.0521 34.15591 161.5342 35.29833 162.0163 36.35559 162.4984 36.93334 162.9805 37.36204 163.4626 38.05819 163.9448 39.62046 164.4269 41.14183 164.9090 42.10213 165.3911 42.31198 165.8732 42.53874 166.3553 43.37474 166.8375 44.75842 167.3196 46.47818 167.8017 48.60965 168.2838 51.12038 168.7659 53.94176 169.2480 56.98039 169.7302 60.31667 170.2123 64.05714 170.6944 68.07017 171.1765 72.21388 171.6586 77.19810 172.1407 82.02464 172.6229 85.86510 173.1050 88.64507 173.5871 90.29705 174.0692 90.93417 174.5513 90.44003 175.0334 88.41820 175.5156 84.23013 175.9977 78.45232 176.4798 71.85454 176.9619 64.18109 177.4440 56.36713 177.9261 49.26460 178.4083 42.87318 178.8904 37.34026 179.3725 33.13188 179.8546 29.82698 180.3367 26.70185 180.8188 23.57182 181.3010 20.66726 181.7831 18.35162 182.2652 16.60918 182.7473 15.16586 183.2294 13.93607 183.7115 12.86833 184.1937 11.84412 184.6758 10.78849 185.1579 9.812653 185.6400 9.161873 186.1221 8.826424 186.6042 8.455818 187.0864 7.686699 187.5685 6.615891 188.0506 5.702194 188.5327 5.007492 189.0148 4.512939 189.4969 4.076241 189.9791 3.706779 190.4612 3.378387 190.9433 3.120880 191.4254 2.925980 191.9075 2.593185 192.3896 1.900154 192.8718 1.018158 193.3539 0.6218190 193.8360 0.7969210 194.3181 1.133331 194.8002 1.175880 195.2823 0.9137120 195.7645 0.7811740 196.2466 0.9600750 196.7287 1.329681 197.2108 1.384201 197.6929 1.085487 198.1750 0.6347050 198.6572 0.1289980 199.1393 0.4407650 199.6214 0.7016830 200.1035 0.4407120 200.5856 0.2088320 201.0677 0.4162900 201.5499 9.1232002E-02 202.0320 0.3594670 202.5141 0.5337450 202.9962 0.4020540 203.4783 0.2117080 203.9604 3.8612001E-02 204.4426 0.3206250 204.9247 0.3515400 205.4068 7.6674998E-02 205.8889 0.3070980 206.3710 0.6291960 206.8531 0.8940430 207.3353 1.068550 207.8174 1.139015 208.2995 1.108429 208.7816 1.024590 209.2637 0.9041370 209.7458 0.7036740 210.2280 0.3252560 210.7101 0.3212810 211.1922 0.7949830 211.6743 0.8965840 212.1564 0.6467970 212.6385 0.7896120 213.1207 1.428795 213.6028 2.284470 214.0849 3.089684 214.5670 3.834038 215.0491 4.528587 215.5313 5.156059 216.0134 5.720444 216.4955 6.296104 216.9776 6.783417 217.4597 7.425087 217.9418 8.562035 218.4239 10.43401 218.9061 12.17764 219.3882 13.55038 219.8703 14.52264 220.3524 15.69466 220.8345 17.27254 221.3166 18.81113 221.7988 19.75981 222.2809 19.68371 222.7630 19.94961 223.2451 20.86109 223.7272 22.43401 224.2093 24.20433 224.6915 26.33620 225.1736 28.51759 225.6557 30.33353 226.1378 31.53905 226.6199 32.98032 227.1020 34.84753 227.5842 37.16248 228.0663 39.49082 228.5484 41.89052 229.0305 44.27499 229.5126 46.53291 229.9947 48.47433 230.4769 50.65335 230.9590 53.13366 231.4411 55.90518 231.9232 59.18240 232.4053 63.11296 232.8874 67.43682 233.3696 71.94519 233.8517 76.61696 234.3338 81.57584 234.8159 87.26698 235.2980 93.69012 235.7801 98.30126 236.2623 101.1224 236.7444 102.1199 237.2265 101.3601 237.7086 99.31243 238.1907 94.49055 238.6728 85.77859 239.1550 73.46127 239.6371 62.43375 240.1192 52.95049 240.6013 44.46437 241.0834 36.57169 241.5655 29.00301 242.0477 22.73588 242.5298 18.11213 243.0119 15.01527 243.4940 12.26840 243.9761 9.840645 244.4582 7.797287 244.9404 6.238251 245.4225 5.441940 245.9046 4.554268 246.3867 3.399452 246.8688 2.046379 247.3509 0.9876860 247.8331 0.3611370 248.3152 0.1476670 248.7973 0.7985920 249.2794 1.925163 249.7615 2.444595 250.2436 1.989212 250.7258 0.8301390 251.2079 0.2997130 251.6900 0.7427900 252.1721 1.321655 252.6542 1.547997 253.1363 1.279121 253.6185 0.9884800 254.1006 0.6988300 254.5827 0.4083100 255.0648 0.1042710 255.5469 0.2523270 256.0291 0.5544820 256.5112 0.7108310 256.9933 0.5805890 257.4754 0.5849530 257.9575 0.7236860 258.4396 1.068443 258.9218 1.763908 259.4039 2.962425 259.8860 4.190498 260.3681 5.261673 260.8502 6.151924 261.3323 7.000954 261.8145 7.667542 262.2966 8.376007 262.7787 9.724442 263.2608 12.06207 263.7429 14.25463 264.2250 15.86637 264.7072 16.80441 265.1893 17.51171 265.6714 18.12209 266.1535 18.38557 266.6356 17.74463 267.1177 15.90384 267.5999 13.93610 268.0820 12.28188 268.5641 11.01283 269.0462 9.448921 269.5283 7.377106 270.0104 5.231529 270.4926 3.629898 270.9747 2.635651 271.4568 1.925636 271.9389 1.427673 272.4210 1.143234 272.9031 1.016647 273.3853 1.122116 273.8674 1.256531 274.3495 1.156311 274.8316 0.7940600 275.3137 0.3335720 275.7958 0.2478330 276.2780 0.9261780 276.7601 1.353149 277.2422 1.467140 277.7243 1.494667 278.2064 1.716042 278.6885 2.171448 279.1707 2.473061 279.6528 2.502007 280.1349 2.304390 280.6170 2.108704 281.0991 1.912529 281.5812 1.719986 282.0634 1.543060 282.5455 1.377365 283.0276 1.210533 283.5097 1.069374 283.9918 0.9058460 284.4739 0.5042650 284.9561 0.1745000 285.4382 0.8066480 285.9203 1.038506 286.4024 0.9027860 286.8845 1.009293 287.3666 1.437935 287.8488 2.152786 288.3309 3.220703 288.8130 4.652351 289.2951 5.942650 289.7772 6.585808 290.2593 6.719513 290.7415 7.217293 291.2236 8.195442 291.7057 9.467171 292.1878 10.78017 292.6699 12.13358 293.1520 13.51377 293.6342 14.84248 294.1163 16.18480 294.5984 17.77030 295.0805 19.68295 295.5626 21.59332 296.0447 23.12733 296.5269 24.32231 297.0090 25.36142 297.4911 26.19067 297.9732 26.94054 298.4553 28.02022 298.9374 29.47644 299.4196 30.71494 299.9017 30.84538 300.3838 30.22243 300.8659 29.80524 301.3480 29.88437 301.8301 30.43074 302.3123 31.57531 302.7944 33.30687 303.2765 35.04505 303.7586 36.03051 304.2407 36.73618 304.7228 38.05907 305.2050 40.40065 305.6871 43.32031 306.1692 46.38429 306.6513 49.60555 307.1334 52.83598 307.6155 56.03357 308.0977 59.32828 308.5798 62.88950 309.0619 66.87069 309.5440 70.82327 310.0261 74.45934 310.5082 77.83430 310.9904 81.06797 311.4725 84.59483 311.9546 87.83340 312.4367 90.41854 312.9188 92.46653 313.4009 93.29115 313.8831 92.32465 314.3652 89.81396 314.8473 86.23650 315.3294 80.90237 315.8115 75.18738 316.2936 69.82483 316.7758 64.87174 317.2579 60.38535 317.7400 56.20267 318.2221 52.53262 318.7042 49.54744 319.1863 47.24890 319.6685 45.69865 320.1506 45.10883 320.6327 45.49229 321.1148 46.03400 321.5969 46.40248 322.0790 46.86788 322.5612 47.66582 323.0433 49.13977 323.5254 50.63622 324.0075 51.93619 324.4896 53.08984 324.9717 54.44374 325.4539 56.44293 325.9360 58.40957 326.4181 59.95166 326.9002 61.22098 327.3823 61.85191 327.8644 61.42564 328.3466 60.28872 328.8287 59.49957 329.3108 58.86574 329.7929 58.77779 330.2750 59.41774 330.7571 61.08009 331.2393 62.78479 331.7214 64.11021 332.2035 65.64330 332.6856 68.32979 333.1677 72.70714 333.6498 77.47582 334.1320 82.36690 334.6141 87.30299 335.0962 92.27237 335.5783 97.06509 336.0604 102.1087 336.5425 108.0155 337.0247 115.2178 337.5068 122.2572 337.9889 128.8150 338.4710 134.9722 338.9531 141.6638 339.4352 149.0180 339.9173 156.7365 340.3994 164.4105 340.8816 172.0025 341.3637 180.2316 341.8458 189.3676 342.3279 199.1128 342.8100 208.9279 343.2921 218.5420 343.7743 229.4188 344.2564 242.5257 344.7385 257.8840 345.2206 273.5935 345.7027 289.6699 346.1848 306.2058 346.6670 322.9779 347.1491 340.0839 347.6312 358.9608 348.1133 381.1184 348.5954 405.6834 349.0775 430.1225 349.5597 454.6566 350.0418 479.0596 350.5239 503.8154 351.0060 528.4332 351.4881 550.3829 351.9702 569.3953 352.4524 584.9251 352.9345 595.7242 353.4166 601.8807 353.8987 604.1834 354.3808 603.1113 354.8629 598.6672 355.3451 590.2687 355.8272 576.5002 356.3093 561.2937 356.7914 547.3488 357.2735 534.6464 357.7556 523.4716 358.2378 513.3503 358.7199 505.3590 359.2020 500.1701 359.6841 497.6844 360.1662 498.7491 360.6483 503.9323 361.1305 512.9257 361.6126 525.3260 362.0947 541.5899 362.5768 560.7918 363.0589 582.6390 363.5410 607.0792 364.0232 634.1927 364.5053 664.9885 364.9874 697.9688 365.4695 731.9642 365.9516 767.6594 366.4337 803.3439 366.9159 840.7818 367.3980 878.7295 367.8801 912.2029 368.3622 943.4259 368.8443 967.2812 369.3264 981.6541 369.8086 986.4279 370.2907 981.6722 370.7728 967.1033 371.2549 943.0552 371.7370 909.8708 372.2191 863.7580 372.7013 813.4659 373.1834 760.8346 373.6655 705.2591 374.1476 650.2261 374.6297 595.8231 375.1118 543.4397 375.5940 494.5161 376.0761 449.4503 376.5582 408.0917 377.0403 370.2630 377.5224 336.2642 378.0045 305.9780 378.4867 280.1380 378.9688 257.3614 379.4509 237.1772 379.9330 219.7699 380.4151 203.8035 380.8972 189.3097 381.3794 176.2452 381.8615 165.0916 382.3436 155.6880 382.8257 147.2132 383.3078 139.2171 383.7899 131.7539 384.2721 124.7673 384.7542 118.3025 385.2363 112.2149 385.7184 106.4738 386.2005 101.0186 386.6826 95.31748 387.1648 89.10287 387.6469 82.78802 388.1290 76.77364 388.6111 71.06883 389.0932 65.58598 389.5753 60.05315 390.0575 54.75886 390.5396 49.96881 391.0217 45.72658 391.5038 41.85524 391.9859 38.24673 392.4680 34.92181 392.9502 31.86453 393.4323 29.07462 393.9144 26.57159 394.3965 24.47177 394.8786 22.78156 395.3607 21.14362 395.8429 19.35514 396.3250 17.57847 396.8071 15.95139 397.2892 14.50802 397.7713 13.20703 398.2534 12.08926 398.7356 11.12747 399.2177 10.21664 399.6998 9.369720 400.1819 8.554947 400.6640 7.765778 401.1461 7.049263 401.6283 6.245132 402.1104 5.079254 402.5925 3.953728 403.0746 3.565765 403.5567 4.584229 404.0388 5.108734 404.5210 4.485107 405.0031 2.729836 405.4852 1.562424 405.9673 1.094810 406.4494 0.9514240 406.9315 0.8793870 407.4137 0.8969960 407.8958 0.7870250 408.3779 0.4550090 408.8600 2.0493001E-02 409.3421 0.1895680 409.8242 0.1655430 410.3064 0.1117630 410.7885 1.1060000E-03 411.2706 0.1131740 411.7527 0.2855070 412.2348 1.311165 412.7169 2.295166 413.1991 2.328819 413.6812 1.640686 414.1633 0.9657970 414.6454 0.4493260 415.1275 0.1825100 415.6096 0.4814380 416.0918 1.259758 416.5739 1.906410 417.0560 1.950836 417.5381 1.652100 418.0202 1.256416 418.5023 0.7017210 418.9845 0.3483200 419.4666 0.6451340 419.9487 1.290848 420.4308 1.711380 420.9129 1.503189 421.3951 1.168671 421.8772 0.9480440 422.3593 0.8694230 422.8414 0.7800670 423.3235 0.5349660 423.8056 0.3184590 424.2878 0.2809520 424.7699 0.8498690 425.2520 1.127472 425.7341 0.6417470 426.2162 0.2875750 426.6983 0.4755550 427.1805 0.8218990 427.6626 2.006493 428.1447 2.422279 428.6268 1.801765 429.1089 1.392433 429.5910 1.301857 430.0732 1.305466 430.5553 1.131088 431.0374 0.7656170 431.5195 0.2437590 432.0016 0.5775600 432.4837 1.534134 432.9659 1.729378 433.4480 1.045792 433.9301 0.3355030 434.4122 0.2684710 434.8943 0.7557750 435.3764 1.179306 435.8586 1.489372 436.3407 1.688393 436.8228 1.645996 437.3049 1.450363 437.7870 1.474998 438.2691 2.026291 438.7513 2.834175 439.2334 3.617241 439.7155 4.363388 440.1976 4.876923 440.6797 4.871651 441.1618 4.608452 441.6440 4.398750 442.1261 4.340942 442.6082 4.314812 443.0903 4.104187 443.5724 3.874458 444.0545 3.982811 444.5367 4.859764 445.0188 5.854111 445.5009 6.685265 445.9830 7.309715 446.4651 7.859085 446.9472 8.240456 447.4294 8.616852 447.9115 9.120163 448.3936 9.866302 448.8757 10.61029 449.3578 11.35241 449.8399 12.07577 450.3221 12.76657 450.8042 13.40190 451.2863 14.04878 451.7684 14.78320 452.2505 15.66037 452.7326 16.30549 453.2148 16.73746 453.6969 16.89819 454.1790 16.63456 454.6611 15.92348 455.1432 15.24158 455.6253 14.81932 456.1075 14.40564 456.5896 13.25710 457.0717 11.37735 457.5538 9.360054 458.0359 7.473335 458.5180 5.754372 459.0002 4.252403 459.4823 2.980713 459.9644 1.952705 460.4465 1.337280 460.9286 0.9727480 461.4107 0.5625080 461.8929 0.1458360 462.3750 0.8233570 462.8571 1.198074 463.3392 1.317184 463.8213 1.384941 464.3034 1.528862 464.7856 1.633820 465.2677 1.619553 465.7498 1.455421 466.2319 1.222992 466.7140 1.012779 467.1961 0.7414090 467.6783 0.2744900 468.1604 0.7040100 468.6425 1.547882 469.1246 2.056877 469.6067 2.242104 470.0888 2.570618 470.5710 3.125969 471.0531 3.774399 471.5352 4.451363 472.0173 5.139374 472.4994 5.917351 472.9815 6.732147 473.4637 7.647308 473.9458 8.827759 474.4279 10.30883 474.9100 11.77276 475.3921 13.15087 475.8742 14.45120 476.3564 15.61449 476.8385 16.63155 477.3206 17.72339 477.8027 19.09167 478.2848 20.65606 478.7669 22.24730 479.2491 23.83887 479.7312 25.48088 480.2133 27.24657 480.6954 29.08916 481.1775 30.93976 481.6596 32.64082 482.1418 34.39925 482.6239 36.39621 483.1060 38.60577 483.5881 40.69176 484.0702 42.44733 484.5523 44.09077 485.0345 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