#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:37 +0300 (Thu, 24 May 2018) $ #$Revision: 723 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000228.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_1000228 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 R060350 _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 R060350.rod _rod_data_source.block 3500000 _rod_database.code 1000228 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 141.2853 0.0000000E+00 141.7674 6.4699999E-03 142.2495 0.8813780 142.7316 1.490395 143.2137 0.7996220 143.6959 0.1099320 144.1780 0.1189730 144.6601 1.350227 145.1422 2.167458 145.6243 1.907761 146.1064 0.9660260 146.5886 0.9236150 147.0707 2.479424 147.5528 4.113655 148.0349 4.942444 148.5170 4.172379 148.9991 3.883064 149.4813 4.505997 149.9634 5.899635 150.4455 6.639420 150.9276 5.833458 151.4097 4.983665 151.8918 5.008286 152.3740 7.032730 152.8561 8.631180 153.3382 9.326225 153.8203 9.142693 154.3024 9.376724 154.7845 10.60054 155.2667 12.00584 155.7488 13.00953 156.2309 13.10019 156.7130 13.19971 157.1951 13.49300 157.6772 13.99766 158.1594 14.62901 158.6415 15.29341 159.1236 16.03925 159.6057 16.92525 160.0878 17.92831 160.5699 19.08507 161.0521 20.47176 161.5342 22.11052 162.0163 23.73640 162.4984 25.30776 162.9805 26.80275 163.4626 28.19264 163.9448 29.61832 164.4269 30.82610 164.9090 31.66454 165.3911 32.08528 165.8732 32.35132 166.3553 32.41217 166.8375 32.42406 167.3196 32.64539 167.8017 33.80431 168.2838 34.83406 168.7659 34.75004 169.2480 33.13560 169.7302 31.61328 170.2123 31.77580 170.6944 32.87654 171.1765 33.27269 171.6586 31.42045 172.1407 28.86601 172.6229 27.17526 173.1050 26.95592 173.5871 27.07135 174.0692 26.68755 174.5513 25.94421 175.0334 24.74177 175.5156 23.78605 175.9977 23.13850 176.4798 22.63366 176.9619 22.34512 177.4440 21.93965 177.9261 20.84867 178.4083 19.23308 178.8904 17.80098 179.3725 17.15974 179.8546 17.01743 180.3367 16.83559 180.8188 16.50691 181.3010 16.11407 181.7831 15.79446 182.2652 15.53442 182.7473 15.21304 183.2294 14.66315 183.7115 13.97540 184.1937 13.42589 184.6758 13.12008 185.1579 12.90763 185.6400 12.53230 186.1221 11.99879 186.6042 11.37912 187.0864 10.68967 187.5685 9.949226 188.0506 9.236107 188.5327 8.482018 189.0148 7.834595 189.4969 7.765961 189.9791 8.306549 190.4612 8.767952 190.9433 8.491188 191.4254 7.557793 191.9075 6.617882 192.3896 5.748055 192.8718 5.013428 193.3539 4.676636 193.8360 4.781982 194.3181 4.923874 194.8002 4.670151 195.2823 4.031494 195.7645 3.539337 196.2466 3.406609 196.7287 3.490913 197.2108 3.117867 197.6929 2.182587 198.1750 1.257675 198.6572 0.9704670 199.1393 1.328072 199.6214 1.591713 200.1035 1.576561 200.5856 1.312729 201.0677 0.9347080 201.5499 0.3837970 202.0320 0.1051410 202.5141 0.2352450 202.9962 4.9109999E-02 203.4783 0.2416310 203.9604 0.2268140 204.4426 2.2034001E-02 204.9247 0.2164690 205.4068 0.4418180 205.8889 0.8038710 206.3710 1.680161 206.8531 3.319748 207.3353 4.158081 207.8174 3.611763 208.2995 1.805183 208.7816 0.4281010 209.2637 0.4190060 209.7458 1.005844 210.2280 1.617706 210.7101 2.313553 211.1922 2.792282 211.6743 2.864487 212.1564 2.553329 212.6385 2.713608 213.1207 3.492737 213.6028 4.539383 214.0849 5.514725 214.5670 6.393005 215.0491 6.961441 215.5313 7.063217 216.0134 6.736771 216.4955 7.003616 216.9776 8.078186 217.4597 9.417160 217.9418 10.53903 218.4239 11.47714 218.9061 12.06291 219.3882 12.09026 219.8703 11.53407 220.3524 11.42174 220.8345 11.89368 221.3166 12.69983 221.7988 13.67938 222.2809 15.09276 222.7630 16.02768 223.2451 16.05193 223.7272 15.11060 224.2093 14.79504 224.6915 15.40985 225.1736 16.44423 225.6557 17.36247 226.1378 18.25317 226.6199 18.69508 227.1020 18.50676 227.5842 17.70723 228.0663 17.16435 228.5484 16.87970 229.0305 16.84529 229.5126 17.13318 229.9947 18.09607 230.4769 18.65472 230.9590 18.56546 231.4411 17.82613 231.9232 16.93280 232.4053 15.57072 232.8874 14.38057 233.3696 14.05431 233.8517 15.36967 234.3338 15.99397 234.8159 15.28671 235.2980 13.28198 235.7801 11.98637 236.2623 11.74077 236.7444 11.83586 237.2265 11.70695 237.7086 11.30833 238.1907 10.75978 238.6728 9.940903 239.1550 8.892075 239.6371 8.353012 240.1192 8.611801 240.6013 9.054840 241.0834 9.198212 241.5655 8.913345 242.0477 8.563248 242.5298 8.117996 243.0119 7.606003 243.4940 7.357574 243.9761 7.535339 244.4582 7.781158 244.9404 7.826813 245.4225 7.535629 245.9046 7.325089 246.3867 7.292343 246.8688 7.395142 247.3509 7.312866 247.8331 6.877228 248.3152 6.473236 248.7973 6.366699 249.2794 6.717224 249.7615 7.040604 250.2436 7.333664 250.7258 7.576309 251.2079 7.615799 251.6900 7.245285 252.1721 6.967590 252.6542 7.168381 253.1363 8.291489 253.6185 8.800797 254.1006 8.333420 254.5827 7.213943 255.0648 6.625916 255.5469 6.791336 256.0291 7.137863 256.5112 7.367493 256.9933 7.409729 257.4754 7.556732 257.9575 7.923340 258.4396 8.370880 258.9218 8.460083 259.4039 8.040451 259.8860 7.505569 260.3681 7.026260 260.8502 6.578842 261.3323 6.376404 261.8145 6.563065 262.2966 6.882523 262.7787 6.751465 263.2608 5.960846 263.7429 5.145462 264.2250 4.475845 264.7072 3.842010 265.1893 3.699799 265.6714 4.457687 266.1535 5.570358 266.6356 5.794235 267.1177 4.723129 267.5999 3.700546 268.0820 3.313263 268.5641 3.693954 269.0462 3.672989 269.5283 3.212723 270.0104 2.402954 270.4926 1.211823 270.9747 0.6085210 271.4568 1.939987 271.9389 2.248962 272.4210 1.494476 272.9031 1.213394 273.3853 1.534653 273.8674 2.090897 274.3495 2.431442 274.8316 2.530334 275.3137 2.567032 275.7958 2.616699 276.2780 2.666565 276.7601 2.458328 277.2422 1.895477 277.7243 1.328827 278.2064 1.161865 278.6885 1.439758 279.1707 1.757751 279.6528 2.114044 280.1349 2.435150 280.6170 2.187027 281.0991 1.211426 281.5812 0.2926180 282.0634 0.3481600 282.5455 1.410019 283.0276 1.967209 283.5097 1.639435 283.9918 0.6720430 284.4739 0.1969600 284.9561 0.9584660 285.4382 1.696167 285.9203 2.475311 286.4024 3.285095 286.8845 4.091141 287.3666 4.872559 287.8488 5.647110 288.3309 6.482758 288.8130 7.381119 289.2951 8.194061 289.7772 8.717957 290.2593 9.022293 290.7415 9.581512 291.2236 10.47404 291.7057 11.53879 292.1878 12.54436 292.6699 13.49391 293.1520 14.41580 293.6342 15.25267 294.1163 16.06837 294.5984 17.00995 295.0805 18.08195 295.5626 19.34355 296.0447 20.98772 296.5269 22.94672 297.0090 24.89833 297.4911 26.74622 297.9732 28.46350 298.4553 29.88783 298.9374 30.99141 299.4196 32.02618 299.9017 33.21956 300.3838 34.53171 300.8659 35.84453 301.3480 36.94270 301.8301 38.08554 302.3123 39.69708 302.7944 41.78041 303.2765 44.02466 303.7586 46.21742 304.2407 48.40166 304.7228 50.74902 305.2050 53.59276 305.6871 56.32396 306.1692 57.88478 306.6513 58.51105 307.1334 59.41411 307.6155 61.77287 308.0977 64.77364 308.5798 67.37941 309.0619 69.29434 309.5440 70.91348 310.0261 72.40314 310.5082 73.83231 310.9904 75.40361 311.4725 77.26147 311.9546 79.30873 312.4367 81.58865 312.9188 84.28989 313.4009 86.61519 313.8831 87.81271 314.3652 88.27769 314.8473 88.78233 315.3294 89.34923 315.8115 90.28517 316.2936 92.01466 316.7758 94.74463 317.2579 97.09625 317.7400 98.10400 318.2221 98.50867 318.7042 99.27531 319.1863 101.2128 319.6685 103.1230 320.1506 104.3240 320.6327 104.7766 321.1148 105.6768 321.5969 107.8415 322.0790 110.3604 322.5612 112.5217 323.0433 113.6918 323.5254 114.9648 324.0075 116.4941 324.4896 118.3037 324.9717 120.4782 325.4539 123.2931 325.9360 126.3228 326.4181 129.2997 326.9002 132.1785 327.3823 135.0628 327.8644 137.8821 328.3466 140.7010 328.8287 143.6713 329.3108 147.1867 329.7929 150.5487 330.2750 153.3793 330.7571 155.0531 331.2393 157.6091 331.7214 161.7193 332.2035 166.4703 332.6856 170.3042 333.1677 172.7124 333.6498 174.9821 334.1320 177.4476 334.6141 180.0933 335.0962 182.8138 335.5783 185.6106 336.0604 188.4601 336.5425 191.4226 337.0247 194.6598 337.5068 197.6491 337.9889 200.4786 338.4710 203.0807 338.9531 204.5108 339.4352 204.2139 339.9173 203.9663 340.3994 205.3956 340.8816 208.9175 341.3637 211.7052 341.8458 213.3291 342.3279 214.1354 342.8100 215.0250 343.2921 215.9555 343.7743 217.2072 344.2564 219.2176 344.7385 221.9308 345.2206 223.7956 345.7027 224.5752 346.1848 224.9269 346.6670 225.8146 347.1491 227.2166 347.6312 228.8181 348.1133 230.4775 348.5954 232.2554 349.0775 234.2707 349.5597 236.4928 350.0418 238.9947 350.5239 242.3132 351.0060 246.1612 351.4881 249.3428 351.9702 251.1131 352.4524 252.2162 352.9345 253.8197 353.4166 255.8617 353.8987 257.7866 354.3808 258.8557 354.8629 259.6132 355.3451 261.1036 355.8272 264.2098 356.3093 266.7834 356.7914 266.1516 357.2735 263.2946 357.7556 260.9170 358.2378 261.1983 358.7199 262.1719 359.2020 262.2394 359.6841 261.1898 360.1662 259.6153 360.6483 257.5013 361.1305 255.0303 361.6126 252.5708 362.0947 250.5389 362.5768 248.3855 363.0589 245.9843 363.5410 243.3184 364.0232 240.0074 364.5053 235.5142 364.9874 230.5566 365.4695 225.6920 365.9516 220.9192 366.4337 216.3785 366.9159 212.0966 367.3980 208.0485 367.8801 204.1170 368.3622 201.0456 368.8443 197.5257 369.3264 192.9126 369.8086 186.2471 370.2907 180.1167 370.7728 174.5410 371.2549 169.4951 371.7370 165.0118 372.2191 161.4234 372.7013 157.9361 373.1834 154.5204 373.6655 151.2389 374.1476 147.1421 374.6297 141.8332 375.1118 136.3291 375.5940 131.6615 376.0761 128.1221 376.5582 124.6561 377.0403 121.1210 377.5224 117.5442 378.0045 113.7475 378.4867 109.6671 378.9688 105.8778 379.4509 102.9907 379.9330 101.0557 380.4151 98.55066 380.8972 95.29138 381.3794 91.60492 381.8615 88.06126 382.3436 84.61102 382.8257 81.26721 383.3078 78.01389 383.7899 74.83453 384.2721 71.38187 384.7542 67.61588 385.2363 64.21744 385.7184 62.26999 386.2005 61.26527 386.6826 59.62843 387.1648 56.55215 387.6469 52.99750 388.1290 50.11728 388.6111 47.84343 389.0932 45.71078 389.5753 43.55699 390.0575 41.30089 390.5396 38.74139 391.0217 35.69380 391.5038 32.72932 391.9859 30.30176 392.4680 28.23705 392.9502 26.17821 393.4323 23.76926 393.9144 21.49345 394.3965 19.71150 394.8786 18.45467 395.3607 17.30904 395.8429 16.11351 396.3250 14.97226 396.8071 13.95302 397.2892 13.33592 397.7713 12.52271 398.2534 11.22102 398.7356 9.592377 399.2177 8.323746 399.6998 7.668930 400.1819 7.158142 400.6640 6.657745 401.1461 6.312790 401.6283 5.720779 402.1104 4.619431 402.5925 3.354202 403.0746 2.467331 403.5567 2.197205 404.0388 1.898483 404.5210 1.415146 405.0031 0.7450710 405.4852 3.6651999E-02 405.9673 0.8524630 406.4494 1.565613 406.9315 1.636795 407.4137 0.8995970 407.8958 0.7099000 408.3779 1.434586 408.8600 2.632339 409.3421 3.193329 409.8242 3.083054 410.3064 2.750366 410.7885 2.400543 411.2706 2.028625 411.7527 1.566940 412.2348 0.9812930 412.7169 0.4845280 413.1991 0.4100340 413.6812 0.6517640 414.1633 0.8541720 414.6454 0.8705750 415.1275 0.7940370 415.6096 0.6745300 416.0918 0.5346530 416.5739 0.5387570 417.0560 1.155380 417.5381 1.834229 418.0202 1.826157 418.5023 0.7056430 418.9845 0.3907780 419.4666 0.6380310 419.9487 0.3605040 420.4308 0.1657710 420.9129 0.2377470 421.3951 0.4954380 421.8772 0.9613950 422.3593 1.648270 422.8414 2.284119 423.3235 2.973724 423.8056 3.485428 424.2878 3.626678 424.7699 2.656799 425.2520 2.144043 425.7341 2.543060 426.2162 3.592606 426.6983 4.360886 427.1805 4.694107 427.6626 4.915222 428.1447 5.134460 428.6268 5.347015 429.1089 5.555557 429.5910 5.682419 430.0732 5.886444 430.5553 6.389587 431.0374 7.250198 431.5195 8.195877 432.0016 9.274323 432.4837 10.37894 432.9659 10.91821 433.4480 10.80353 433.9301 10.67451 434.4122 11.02483 434.8943 11.79256 435.3764 12.55774 435.8586 13.29794 436.3407 13.96869 436.8228 14.53941 437.3049 14.99866 437.7870 15.28992 438.2691 15.20618 438.7513 15.02652 439.2334 15.23596 439.7155 15.80959 440.1976 16.30400 440.6797 16.34668 441.1618 16.14783 441.6440 15.97415 442.1261 15.97845 442.6082 15.86427 443.0903 15.34937 443.5724 14.58984 444.0545 13.92344 444.5367 13.56338 445.0188 13.24976 445.5009 12.91373 445.9830 12.57877 446.4651 11.98340 446.9472 10.79625 447.4294 9.469101 447.9115 8.397751 448.3936 7.860092 448.8757 7.246246 449.3578 6.429359 449.8399 5.512215 450.3221 4.813339 450.8042 4.548828 451.2863 4.156502 451.7684 3.342064 452.2505 2.002296 452.7326 0.8952410 453.2148 3.2515999E-02 453.6969 0.5975190 454.1790 0.8710560 454.6611 0.7602230 455.1432 0.8939290 455.6253 1.571861 456.1075 2.465027 456.5896 2.550217 457.0717 1.849380 457.5538 1.158691 458.0359 1.136177 458.5180 1.499138 459.0002 1.568573 459.4823 1.257309 459.9644 0.8512950 460.4465 0.5566250 460.9286 0.3763580 461.4107 0.3228840 461.8929 0.5687940 462.3750 0.7953190 462.8571 0.8099820 463.3392 0.6144640 463.8213 0.2302550 464.3034 0.5827260 464.7856 1.435875 465.2677 2.037262 465.7498 2.132057 466.2319 2.395035 466.7140 3.032959 467.1961 3.919411 467.6783 4.897484 468.1604 6.226135 468.6425 7.348541 469.1246 8.077736 469.6067 8.460243 470.0888 9.006577 470.5710 9.729408 471.0531 10.56127 471.5352 11.47352 472.0173 12.50715 472.4994 13.50534 472.9815 14.43177 473.4637 15.38977 473.9458 16.62587 474.4279 18.17278 474.9100 19.38046 475.3921 19.86859 475.8742 19.99182 476.3564 20.78056 476.8385 22.21257 477.3206 23.90960 477.8027 26.01035 478.2848 28.12526 478.7669 29.24463 479.2491 29.03794 479.7312 28.69677 480.2133 29.42074 480.6954 30.81491 481.1775 32.14943 481.6596 32.82318 482.1418 33.56414 482.6239 35.03903 483.1060 37.11606 483.5881 38.81601 484.0702 39.34021 484.5523 39.67381 485.0345 40.45418 485.5166 42.01876 485.9987 43.46188 486.4808 44.75343 486.9629 45.81734 487.4450 46.54068 487.9272 46.62714 488.4093 46.79257 488.8914 47.14513 489.3735 47.68614 489.8556 48.45058 490.3377 49.65186 490.8199 50.62671 491.3020 50.81040 491.7841 50.10756 492.2662 49.95433 492.7483 50.52448 493.2304 51.31278 493.7126 51.59274 494.1947 51.42577 494.6768 51.22058 495.1589 50.89989 495.6410 50.80638 496.1231 51.75905 496.6053 53.63243 497.0874 55.51519 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