#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:59 +0300 (Thu, 24 May 2018) $ #$Revision: 729 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000234.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_1000234 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 R060423 _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 R060423.rod _rod_data_source.block 3500000 _rod_database.code 1000234 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 135.0178 0.0000000E+00 135.4999 0.5213850 135.9820 0.8936330 136.4641 0.8554670 136.9462 2.5791001E-02 137.4283 0.1722580 137.9105 0.4027690 138.3926 1.344635 138.8747 1.986231 139.3568 2.288013 139.8389 2.471359 140.3210 2.609911 140.8032 2.693680 141.2853 2.785645 141.7674 2.871943 142.2495 2.970104 142.7316 3.066465 143.2137 2.974625 143.6959 2.859663 144.1780 3.032425 144.6601 3.678917 145.1422 4.151102 145.6243 4.398575 146.1064 4.466335 146.5886 4.533899 147.0707 4.622002 147.5528 4.685570 148.0349 4.693197 148.5170 4.600601 148.9991 4.523443 149.4813 4.449627 149.9634 4.385311 150.4455 4.390575 150.9276 4.562496 151.4097 4.736801 151.8918 4.807404 152.3740 4.468884 152.8561 4.391685 153.3382 4.797367 153.8203 5.659702 154.3024 6.255447 154.7845 6.336739 155.2667 6.227238 155.7488 6.172932 156.2309 6.173809 156.7130 6.260605 157.1951 6.467228 157.6772 6.796959 158.1594 7.121410 158.6415 7.447418 159.1236 7.740395 159.6057 7.968060 160.0878 8.013298 160.5699 8.084450 161.0521 8.280930 161.5342 8.624084 162.0163 8.938175 162.4984 9.097595 162.9805 9.209499 163.4626 9.409454 163.9448 9.832176 164.4269 10.28841 164.9090 10.65059 165.3911 10.87385 165.8732 11.19199 166.3553 11.91726 166.8375 12.79571 167.3196 13.40741 167.8017 13.26388 168.2838 12.97574 168.7659 13.07075 169.2480 13.57064 169.7302 14.33501 170.2123 15.46606 170.6944 16.96853 171.1765 18.61354 171.6586 20.26870 172.1407 21.84069 172.6229 23.31993 173.1050 24.84938 173.5871 26.42055 174.0692 27.94778 174.5513 29.52233 175.0334 31.21872 175.5156 33.53347 175.9977 35.83400 176.4798 37.16296 176.9619 37.31892 177.4440 36.66805 177.9261 35.53712 178.4083 33.93045 178.8904 31.85101 179.3725 28.98362 179.8546 25.68493 180.3367 22.68766 180.8188 20.16290 181.3010 17.93206 181.7831 15.69183 182.2652 13.49541 182.7473 11.62029 183.2294 10.40771 183.7115 9.694771 184.1937 9.094868 184.6758 8.588879 185.1579 8.080654 185.6400 7.302193 186.1221 6.272167 186.6042 5.317341 187.0864 4.711884 187.5685 4.409180 188.0506 4.246243 188.5327 4.245914 189.0148 4.312988 189.4969 4.244663 189.9791 4.038143 190.4612 3.756138 190.9433 3.384903 191.4254 2.948574 191.9075 2.645107 192.3896 2.558617 192.8718 2.612194 193.3539 2.616215 193.8360 2.573021 194.3181 2.472969 194.8002 2.253807 195.2823 1.914425 195.7645 1.705593 196.2466 1.712006 196.7287 1.871895 197.2108 1.955212 197.6929 1.964413 198.1750 1.881615 198.6572 1.612213 199.1393 1.138535 199.6214 0.8549350 200.1035 0.9633870 200.5856 1.351311 201.0677 1.296383 201.5499 0.7087020 202.0320 2.1586999E-02 202.5141 0.5450970 202.9962 0.8559190 203.4783 0.9949000 203.9604 0.9055670 204.4426 0.6289060 204.9247 0.5298730 205.4068 0.6455690 205.8889 0.8469850 206.3710 1.036903 206.8531 1.232765 207.3353 1.324062 207.8174 1.274227 208.2995 1.089993 208.7816 0.8290630 209.2637 0.4345280 209.7458 8.1138998E-02 210.2280 9.9199999E-04 210.7101 0.2975160 211.1922 0.4899710 211.6743 0.4672850 212.1564 0.2360610 212.6385 0.1253240 213.1207 0.7310140 213.6028 1.274128 214.0849 1.343254 214.5670 0.7023050 215.0491 0.3132400 215.5313 0.4572070 216.0134 1.131561 216.4955 1.636978 216.9776 1.882305 217.4597 2.091625 217.9418 2.504959 218.4239 3.158775 218.9061 3.906273 219.3882 4.725925 219.8703 5.609249 220.3524 6.567677 220.8345 7.620464 221.3166 8.708668 221.7988 9.796608 222.2809 10.88891 222.7630 11.93461 223.2451 12.83762 223.7272 13.60099 224.2093 14.72530 224.6915 16.38032 225.1736 18.22943 225.6557 19.86932 226.1378 21.16520 226.6199 22.61833 227.1020 24.42234 227.5842 26.59728 228.0663 28.31599 228.5484 29.23384 229.0305 30.09322 229.5126 31.65073 229.9947 34.32407 230.4769 36.89204 230.9590 39.17312 231.4411 41.11737 231.9232 42.64872 232.4053 43.55769 232.8874 44.37765 233.3696 45.58265 233.8517 47.43883 234.3338 49.09260 234.8159 50.36791 235.2980 51.26637 235.7801 51.99143 236.2623 52.21795 236.7444 52.67374 237.2265 53.98889 237.7086 56.53955 238.1907 59.21213 238.6728 61.99141 239.1550 64.84884 239.6371 67.26532 240.1192 69.42278 240.6013 70.92989 241.0834 71.48436 241.5655 71.12323 242.0477 69.74409 242.5298 67.32323 243.0119 63.86568 243.4940 59.32653 243.9761 53.12804 244.4582 46.52897 244.9404 40.36164 245.4225 34.52258 245.9046 29.30866 246.3867 24.75507 246.8688 20.83582 247.3509 17.37067 247.8331 14.34436 248.3152 11.79173 248.7973 9.775803 249.2794 8.491234 249.7615 7.329025 250.2436 6.272129 250.7258 5.302357 251.2079 4.317200 251.6900 3.141254 252.1721 2.198692 252.6542 1.784309 253.1363 2.162964 253.6185 2.453606 254.1006 2.587173 254.5827 2.597691 255.0648 2.566040 255.5469 2.358738 256.0291 2.321960 256.5112 2.734409 256.9933 3.999767 257.4754 4.654816 257.9575 4.412041 258.4396 3.605747 258.9218 3.208466 259.4039 3.401348 259.8860 3.641296 260.3681 3.645176 260.8502 3.264610 261.3323 3.140236 261.8145 3.309677 262.2966 3.746834 262.7787 4.421791 263.2608 5.461330 263.7429 6.426746 264.2250 7.042046 264.7072 7.068714 265.1893 7.745518 265.6714 9.339676 266.1535 11.36814 266.6356 12.89329 267.1177 13.70175 267.5999 14.64108 268.0820 16.09231 268.5641 18.16212 269.0462 19.85823 269.5283 21.13911 270.0104 22.16457 270.4926 23.26117 270.9747 24.57541 271.4568 25.46803 271.9389 25.75904 272.4210 25.44968 272.9031 24.54182 273.3853 22.91161 273.8674 20.94312 274.3495 19.08753 274.8316 17.31405 275.3137 15.75691 275.7958 14.41378 276.2780 13.29794 276.7601 12.58431 277.2422 12.37769 277.7243 12.30035 278.2064 11.98032 278.6885 11.40476 279.1707 10.67810 279.6528 9.757378 280.1349 8.705139 280.6170 7.856087 281.0991 7.233360 281.5812 6.721878 282.0634 6.254555 282.5455 5.828674 283.0276 5.381325 283.5097 4.889076 283.9918 4.375183 284.4739 3.943375 284.9561 3.612434 285.4382 3.225960 285.9203 2.651482 286.4024 1.900520 286.8845 1.029213 287.3666 7.9102002E-02 287.8488 1.129829 288.3309 1.258980 288.8130 0.4418950 289.2951 0.2448270 289.7772 8.8829003E-02 290.2593 1.247368 290.7415 2.116371 291.2236 2.583748 291.7057 2.723839 292.1878 2.509880 292.6699 1.973801 293.1520 1.511986 293.6342 1.432793 294.1163 1.613617 294.5984 1.642685 295.0805 1.479294 295.5626 1.242805 296.0447 1.088882 296.5269 0.9962160 297.0090 0.8608630 297.4911 0.6159130 297.9732 0.2971730 298.4553 1.7890999E-02 298.9374 0.2084120 299.4196 0.5106660 299.9017 1.127113 300.3838 1.935303 300.8659 2.593636 301.3480 2.849091 301.8301 2.930031 302.3123 3.103462 302.7944 3.374733 303.2765 3.844490 303.7586 4.786575 304.2407 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331.2393 29.84888 331.7214 29.98351 332.2035 30.15437 332.6856 30.59736 333.1677 31.62205 333.6498 32.46738 334.1320 32.84074 334.6141 32.63395 335.0962 32.78539 335.5783 33.49926 336.0604 34.35925 336.5425 34.93347 337.0247 35.13332 337.5068 35.26836 337.9889 35.37114 338.4710 35.45232 338.9531 35.61069 339.4352 35.87108 339.9173 36.15636 340.3994 36.30076 340.8816 36.20653 341.3637 36.64529 341.8458 37.84395 342.3279 39.52497 342.8100 40.95298 343.2921 42.04385 343.7743 43.36830 344.2564 45.33691 344.7385 47.93159 345.2206 50.43697 345.7027 52.77897 346.1848 55.09445 346.6670 57.51188 347.1491 60.02683 347.6312 62.81544 348.1133 66.01937 348.5954 69.54785 349.0775 72.99029 349.5597 76.34206 350.0418 80.19712 350.5239 85.29694 351.0060 91.42674 351.4881 97.71204 351.9702 103.8703 352.4524 110.0435 352.9345 116.0082 353.4166 121.8723 353.8987 128.6096 354.3808 137.3256 354.8629 147.2318 355.3451 157.0034 355.8272 166.4065 356.3093 175.5439 356.7914 184.2615 357.2735 192.7776 357.7556 201.5291 358.2378 211.0446 358.7199 220.6823 359.2020 229.8875 359.6841 238.5823 360.1662 246.8775 360.6483 254.4844 361.1305 261.7630 361.6126 269.2654 362.0947 277.3959 362.5768 285.7073 363.0589 293.9826 363.5410 302.1909 364.0232 310.6633 364.5053 318.5349 364.9874 327.2420 365.4695 337.9109 365.9516 351.7299 366.4337 366.5332 366.9159 382.4776 367.3980 399.2761 367.8801 415.8830 368.3622 432.5320 368.8443 448.4597 369.3264 463.4604 369.8086 478.5908 370.2907 490.9828 370.7728 501.3364 371.2549 508.6645 371.7370 511.3323 372.2191 508.7380 372.7013 502.3587 373.1834 492.7193 373.6655 479.8766 374.1476 462.3466 374.6297 438.9033 375.1118 412.8611 375.5940 387.1281 376.0761 361.7994 376.5582 337.2637 377.0403 313.3924 377.5224 290.4861 378.0045 268.6524 378.4867 248.1824 378.9688 229.2000 379.4509 211.8722 379.9330 196.3447 380.4151 182.1805 380.8972 169.5058 381.3794 158.1217 381.8615 148.1793 382.3436 139.5380 382.8257 131.6168 383.3078 123.9231 383.7899 116.6391 384.2721 110.2043 384.7542 104.6847 385.2363 99.66586 385.7184 94.62198 386.2005 89.75187 386.6826 85.33410 387.1648 81.67597 387.6469 78.36665 388.1290 74.81000 388.6111 71.07835 389.0932 67.50343 389.5753 64.15112 390.0575 61.11222 390.5396 58.49464 391.0217 56.39325 391.5038 54.39627 391.9859 52.11429 392.4680 49.74409 392.9502 47.60939 393.4323 45.87667 393.9144 44.41833 394.3965 43.30046 394.8786 42.53696 395.3607 41.61495 395.8429 40.14267 396.3250 38.51753 396.8071 37.08908 397.2892 36.06483 397.7713 35.09816 398.2534 34.21386 398.7356 33.36371 399.2177 32.33456 399.6998 30.78409 400.1819 29.31484 400.6640 28.23721 401.1461 27.98471 401.6283 27.21479 402.1104 25.53285 402.5925 23.51756 403.0746 22.07056 403.5567 21.60798 404.0388 20.95725 404.5210 19.77457 405.0031 18.05878 405.4852 16.37463 405.9673 14.66835 406.4494 13.08381 406.9315 11.77710 407.4137 10.77520 407.8958 9.790146 408.3779 8.787109 408.8600 7.773026 409.3421 6.706924 409.8242 5.581524 410.3064 4.620159 410.7885 4.051178 411.2706 3.773708 411.7527 3.295151 412.2348 2.570572 412.7169 1.776264 413.1991 1.054615 413.6812 0.4223180 414.1633 2.8114000E-02 414.6454 0.1303980 415.1275 0.1361690 415.6096 0.4197730 416.0918 0.9430850 416.5739 1.447865 417.0560 1.850719 417.5381 2.098694 418.0202 2.068371 418.5023 1.589352 418.9845 1.212936 419.4666 1.448223 419.9487 2.021946 420.4308 2.413551 420.9129 2.316002 421.3951 2.076977 421.8772 1.807301 422.3593 1.509186 422.8414 1.349197 423.3235 1.497822 423.8056 1.736778 424.2878 1.889359 424.7699 1.920185 425.2520 1.875805 425.7341 1.671455 426.2162 1.377792 426.6983 1.260040 427.1805 1.580395 427.6626 1.773792 428.1447 1.559448 428.6268 0.7349780 429.1089 0.2735670 429.5910 0.3392330 430.0732 0.5913160 430.5553 0.6253360 431.0374 0.4281810 431.5195 3.8399000E-02 432.0016 0.6650430 432.4837 1.541153 432.9659 1.828529 433.4480 1.433296 433.9301 1.035957 434.4122 1.202526 434.8943 1.845909 435.3764 2.313656 435.8586 2.502090 436.3407 2.628014 436.8228 3.038181 437.3049 3.668060 437.7870 4.230042 438.2691 4.563648 438.7513 4.773945 439.2334 5.000488 439.7155 5.242729 440.1976 5.476906 440.6797 5.709980 441.1618 5.916756 441.6440 6.043633 442.1261 5.980469 442.6082 6.016792 443.0903 6.526737 443.5724 7.257927 444.0545 7.665787 444.5367 7.100601 445.0188 6.537483 445.5009 6.503090 445.9830 7.114540 446.4651 7.614368 446.9472 7.874302 447.4294 7.955891 447.9115 7.907860 448.3936 7.542240 448.8757 7.283375 449.3578 7.174335 449.8399 7.193508 450.3221 7.278618 450.8042 7.526089 451.2863 7.685356 451.7684 7.618816 452.2505 7.269634 452.7326 7.051750 453.2148 6.957966 453.6969 7.015663 454.1790 7.401604 454.6611 8.161728 455.1432 8.484699 455.6253 8.033894 456.1075 7.139896 456.5896 6.666058 457.0717 6.602097 457.5538 6.708054 458.0359 6.920967 458.5180 7.173466 459.0002 7.308926 459.4823 7.307228 459.9644 7.225269 460.4465 7.062008 460.9286 6.863560 461.4107 6.721600 461.8929 6.693798 462.3750 6.716957 462.8571 6.796906 463.3392 6.907906 463.8213 6.924957 464.3034 6.759701 464.7856 6.501369 465.2677 6.188557 465.7498 5.781071 466.2319 5.451756 466.7140 5.266411 467.1961 5.175388 467.6783 5.112659 468.1604 5.163696 468.6425 5.139099 469.1246 4.989330 469.6067 4.723175 470.0888 4.439240 470.5710 4.071953 471.0531 3.772289 471.5352 3.619911 472.0173 3.630424 472.4994 3.700184 472.9815 3.844227 473.4637 4.021431 473.9458 4.211269 474.4279 4.425659 474.9100 4.494400 475.3921 4.261139 475.8742 3.917557 476.3564 4.045353 476.8385 4.635204 477.3206 5.399303 477.8027 6.223686 478.2848 7.054840 478.7669 7.773304 479.2491 8.357899 479.7312 8.881615 480.2133 9.300606 480.6954 9.709869 481.1775 10.28672 481.6596 11.30871 482.1418 12.34713 482.6239 13.12845 483.1060 13.68435 483.5881 14.20911 484.0702 14.78615 484.5523 15.35344 485.0345 15.83220 485.5166 16.11678 485.9987 16.57600 486.4808 17.54037 486.9629 18.63294 487.4450 19.32695 487.9272 19.19427 488.4093 19.27193 488.8914 19.92945 489.3735 21.06457 489.8556 21.54518 490.3377 21.09816 490.8199 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1303.186 0.1524880 1303.669 0.1366320 1304.151 8.4817000E-02 1304.633 0.0000000E+00