#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:48 +0300 (Thu, 24 May 2018) $ #$Revision: 726 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000231.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_1000231 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 R060358 _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 R060358.rod _rod_data_source.block 3500000 _rod_database.code 1000231 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 91.62726 0.0000000E+00 92.10938 2.916388 92.59149 2.554080 93.07361 2.317445 93.55573 2.161071 94.03784 2.039986 94.51996 1.929967 95.00208 1.832680 95.48419 1.771748 95.96631 1.793839 96.44843 1.848859 96.93054 1.803938 97.41266 1.619601 97.89478 1.382725 98.37689 1.309120 98.85901 1.390925 99.34113 1.440662 99.82324 1.379010 100.3054 1.191961 100.7875 1.070641 101.2696 1.120433 101.7517 1.429292 102.2338 1.809188 102.7159 1.894396 103.1981 1.605131 103.6802 1.279007 104.1623 0.9692300 104.6444 0.9007200 105.1265 1.011226 105.6086 1.299085 106.0908 1.364279 106.5729 1.059396 107.0550 0.7017630 107.5371 0.4742210 108.0192 0.4756000 108.5013 0.4580980 108.9835 0.4065170 109.4656 0.3202930 109.9477 0.2097390 110.4298 6.4432003E-02 110.9119 9.9780001E-02 111.3940 0.2716080 111.8762 0.5498480 112.3583 0.7358790 112.8404 0.7892330 113.3225 0.7022480 113.8046 0.5497060 114.2867 0.2088220 114.7689 0.1519840 115.2510 0.3460840 115.7331 0.1757560 116.2152 3.3103999E-02 116.6973 0.1911860 117.1794 0.3101800 117.6616 0.2843720 118.1437 0.1013660 118.6258 0.6488260 119.1079 1.009655 119.5900 0.7963190 120.0721 0.5078080 120.5543 0.5020430 121.0364 0.9338660 121.5185 1.404410 122.0006 1.649972 122.4827 1.732628 122.9648 1.839541 123.4470 2.154129 123.9291 2.520720 124.4112 2.744401 124.8933 2.706489 125.3754 2.625072 125.8575 2.732701 126.3397 3.006298 126.8218 3.306004 127.3039 3.422840 127.7860 3.491509 128.2681 3.808705 128.7502 4.615053 129.2324 5.603333 129.7145 6.214428 130.1966 6.451789 130.6787 6.573106 131.1608 6.821102 131.6429 7.164103 132.1251 7.461370 132.6072 7.631121 133.0893 7.718947 133.5714 7.916475 134.0535 8.245790 134.5356 8.584602 135.0178 8.818087 135.4999 8.944840 135.9820 8.910437 136.4641 8.563043 136.9462 7.920324 137.4283 7.689534 137.9105 7.961206 138.3926 8.482660 138.8747 8.840184 139.3568 9.011039 139.8389 9.130430 140.3210 9.235408 140.8032 9.311296 141.2853 9.454043 141.7674 9.654999 142.2495 9.928007 142.7316 10.30964 143.2137 10.80872 143.6959 11.12876 144.1780 11.22468 144.6601 10.95253 145.1422 10.94613 145.6243 11.12796 146.1064 11.59144 146.5886 12.24991 147.0707 13.14494 147.5528 13.93697 148.0349 14.42896 148.5170 14.33852 148.9991 14.24423 149.4813 14.14390 149.9634 14.09813 150.4455 14.46656 150.9276 15.31703 151.4097 16.50561 151.8918 17.90915 152.3740 19.20440 152.8561 21.09567 153.3382 23.79131 153.8203 27.25965 154.3024 30.85523 154.7845 34.97199 155.2667 38.93022 155.7488 42.28355 156.2309 44.68499 156.7130 46.69672 157.1951 48.32997 157.6772 49.56924 158.1594 50.83316 158.6415 52.08054 159.1236 53.43110 159.6057 55.00881 160.0878 56.73833 160.5699 58.75563 161.0521 61.18322 161.5342 64.04625 162.0163 67.02887 162.4984 69.90847 162.9805 72.87130 163.4626 76.15196 163.9448 79.91251 164.4269 83.94541 164.9090 88.06940 165.3911 92.17533 165.8732 96.87477 166.3553 102.1931 166.8375 108.3239 167.3196 115.5918 167.8017 122.7666 168.2838 131.9488 168.7659 144.4454 169.2480 160.1962 169.7302 180.0078 170.2123 203.7901 170.6944 232.1012 171.1765 265.6809 171.6586 309.2717 172.1407 356.4372 172.6229 405.3823 173.1050 461.3740 173.5871 502.9256 174.0692 511.2714 174.5513 489.8593 175.0334 448.0859 175.5156 375.1457 175.9977 289.2906 176.4798 217.9649 176.9619 165.2959 177.4440 125.7429 177.9261 96.43866 178.4083 76.26687 178.8904 61.17524 179.3725 50.21378 179.8546 42.33259 180.3367 35.88173 180.8188 30.72095 181.3010 26.58187 181.7831 23.34756 182.2652 20.98138 182.7473 18.97914 183.2294 16.98740 183.7115 15.08406 184.1937 13.57880 184.6758 12.61171 185.1579 11.94942 185.6400 11.15655 186.1221 10.24497 186.6042 9.361206 187.0864 8.650749 187.5685 8.078255 188.0506 7.521959 188.5327 6.967020 189.0148 6.399574 189.4969 5.714586 189.9791 4.906130 190.4612 4.171537 190.9433 3.740013 191.4254 3.573442 191.9075 3.306349 192.3896 2.795940 192.8718 2.164726 193.3539 1.787224 193.8360 1.684898 194.3181 1.646843 194.8002 1.459259 195.2823 1.126518 195.7645 0.8801250 196.2466 0.8215960 196.7287 0.8790800 197.2108 0.7141570 197.6929 0.2773440 198.1750 0.1576840 198.6572 0.2529450 199.1393 1.5997000E-02 199.6214 8.2971998E-02 200.1035 0.2882420 200.5856 0.9849170 201.0677 1.298796 201.5499 1.163206 202.0320 0.8723660 202.5141 0.6986200 202.9962 0.6518650 203.4783 0.6502670 203.9604 0.7140200 204.4426 0.8201850 204.9247 0.7308580 205.4068 0.3772660 205.8889 2.8130000E-03 206.3710 0.1180250 206.8531 7.0997000E-02 207.3353 0.2242220 207.8174 0.2818530 208.2995 0.2419910 208.7816 7.6208003E-02 209.2637 0.2095970 209.7458 0.6242330 210.2280 1.183506 210.7101 1.900681 211.1922 2.712809 211.6743 3.612871 212.1564 4.591305 212.6385 5.646954 213.1207 6.743488 213.6028 7.952103 214.0849 9.298557 214.5670 10.71470 215.0491 12.58569 215.5313 14.86023 216.0134 17.54637 216.4955 21.38034 216.9776 26.77082 217.4597 32.79310 217.9418 38.67164 218.4240 44.45535 218.9061 49.74871 219.3882 54.41632 219.8703 58.40443 220.3524 62.13810 220.8345 65.43983 221.3167 68.73209 221.7988 72.43207 222.2809 76.53076 222.7630 80.86309 223.2451 85.13499 223.7272 89.36054 224.2094 95.00880 224.6915 102.6858 225.1736 111.2116 225.6557 119.0161 226.1378 125.2114 226.6199 132.8330 227.1021 142.6213 227.5842 154.6911 228.0663 167.2265 228.5484 180.4409 229.0305 194.0748 229.5126 207.8961 229.9948 221.7133 230.4769 235.9471 230.9590 250.1418 231.4411 264.2484 231.9232 281.6756 232.4053 301.2393 232.8875 325.6357 233.3696 357.4627 233.8517 398.1248 234.3338 444.0504 234.8159 498.9085 235.2980 562.6874 235.7802 612.4422 236.2623 657.3283 236.7444 678.3832 237.2265 656.8587 237.7086 572.9703 238.1907 484.2373 238.6729 393.6718 239.1550 302.3176 239.6371 228.9825 240.1192 177.7041 240.6013 139.8244 241.0834 109.7938 241.5656 90.09956 242.0477 73.95975 242.5298 61.03867 243.0119 51.18965 243.4940 42.99468 243.9761 36.77580 244.4583 31.82879 244.9404 27.70498 245.4225 24.52518 245.9046 21.92285 246.3867 19.88480 246.8688 18.39055 247.3510 17.37012 247.8331 17.18198 248.3152 17.00877 248.7973 16.26977 249.2794 14.54481 249.7615 13.13762 250.2437 12.18139 250.7258 11.62383 251.2079 11.24804 251.6900 11.06546 252.1721 11.04839 252.6542 11.17820 253.1364 11.43111 253.6185 11.88673 254.1006 12.62183 254.5827 13.55673 255.0648 14.34877 255.5469 14.79333 256.0291 15.36596 256.5112 16.34731 256.9933 17.86588 257.4754 19.54031 257.9575 21.22638 258.4396 23.05194 258.9218 25.28957 259.4039 27.69009 259.8860 31.08734 260.3681 35.90503 260.8502 42.32863 261.3323 49.72595 261.8145 58.16010 262.2966 67.47466 262.7787 77.62252 263.2608 89.05602 263.7429 100.4988 264.2250 112.8561 264.7072 128.3152 265.1893 135.0254 265.6714 131.7062 266.1535 120.6089 266.6356 104.4665 267.1177 80.60250 267.5999 58.38340 268.0820 41.28939 268.5641 29.56119 269.0462 20.23711 269.5283 13.52763 270.0104 8.841022 270.4926 5.358849 270.9747 3.266582 271.4568 1.633675 271.9389 0.2184600 272.4210 0.9871900 272.9031 2.032063 273.3853 2.886734 273.8674 3.635174 274.3495 4.391701 274.8316 5.194599 275.3137 5.827076 275.7958 6.223282 276.2780 6.390976 276.7601 6.398190 277.2422 6.176926 277.7243 5.971088 278.2064 6.117386 278.6885 6.677990 279.1707 7.049007 279.6528 7.072666 280.1349 6.793591 280.6170 6.421551 281.0991 5.945805 281.5812 5.413891 282.0634 4.903107 282.5455 4.406391 283.0276 3.767178 283.5097 2.886681 283.9918 1.881432 284.4739 1.169628 284.9561 0.7890590 285.4382 0.4178500 285.9203 0.1610720 286.4024 0.9375570 286.8845 1.881016 287.3666 2.985924 287.8488 4.234135 288.3309 5.511387 288.8130 6.810829 289.2951 8.392887 289.7772 10.42809 290.2593 12.88142 290.7415 15.68258 291.2236 18.78631 291.7057 22.24410 292.1878 26.05963 292.6699 30.24610 293.1520 34.98898 293.6342 40.41796 294.1163 46.49035 294.5984 53.18980 295.0805 60.82811 295.5626 67.99422 296.0447 72.90076 296.5269 75.80908 297.0090 77.99276 297.4911 79.98708 297.9732 81.67665 298.4553 82.55171 298.9374 82.53618 299.4196 82.47150 299.9017 82.98874 300.3838 84.10355 300.8659 85.86996 301.3480 88.20010 301.8301 91.23554 302.3123 95.12624 302.7944 99.90718 303.2765 105.5916 303.7586 111.9253 304.2407 119.2241 304.7228 128.1627 305.2050 138.4017 305.6871 150.8831 306.1692 166.2219 306.6513 184.5379 307.1334 205.3638 307.6155 228.4624 308.0977 254.1045 308.5798 282.7947 309.0619 315.5738 309.5440 350.3806 310.0261 387.4806 310.5082 425.7118 310.9904 461.3888 311.4725 499.7864 311.9546 531.2185 312.4367 547.7616 312.9188 548.3301 313.4009 533.4924 313.8831 496.8653 314.3652 445.4864 314.8473 392.2051 315.3294 335.5645 315.8115 283.1535 316.2936 239.3719 316.7758 204.8539 317.2579 177.5952 317.7400 157.9967 318.2221 144.6390 318.7042 135.2421 319.1863 130.1327 319.6685 127.9285 320.1506 128.1277 320.6327 130.7006 321.1148 135.8082 321.5969 144.4775 322.0790 155.1577 322.5612 166.7574 323.0433 180.1250 323.5254 193.1503 324.0075 207.4103 324.4896 222.0743 324.9717 230.5504 325.4539 231.8439 325.9360 226.7347 326.4181 215.5801 326.9002 192.7399 327.3823 171.0441 327.8644 150.2614 328.3466 131.0285 328.8287 115.3121 329.3108 103.7280 329.7929 95.04373 330.2750 89.09261 330.7571 86.34642 331.2393 85.08010 331.7214 85.26183 332.2035 86.95567 332.6856 90.25591 333.1677 95.56169 333.6498 101.9646 334.1320 109.4354 334.6141 117.9264 335.0962 126.8569 335.5783 136.5585 336.0604 146.3297 336.5425 155.4852 337.0247 163.7229 337.5068 172.2007 337.9889 181.0950 338.4710 190.4418 338.9531 200.7341 339.4352 211.9770 339.9174 224.3510 340.3995 237.7573 340.8816 252.2557 341.3637 268.1886 341.8458 285.7291 342.3279 304.7189 342.8101 325.5631 343.2922 347.9455 343.7743 373.0879 344.2564 401.0493 344.7385 432.1137 345.2206 466.4453 345.7028 503.7717 346.1849 546.0304 346.6670 596.5746 347.1491 655.2610 347.6312 719.6235 348.1133 790.0996 348.5955 865.8124 349.0776 945.4261 349.5597 1029.899 350.0418 1115.821 350.5239 1204.578 351.0060 1292.964 351.4882 1367.943 351.9703 1431.493 352.4524 1474.552 352.9345 1479.473 353.4166 1447.901 353.8987 1394.184 354.3809 1317.032 354.8630 1227.889 355.3451 1144.205 355.8272 1067.261 356.3093 1001.658 356.7914 951.9517 357.2736 916.6908 357.7557 893.2776 358.2378 882.2411 358.7199 881.4384 359.2020 889.6794 359.6841 907.1143 360.1663 931.7411 360.6484 962.5809 361.1305 999.8762 361.6126 1043.956 362.0947 1091.466 362.5768 1148.748 363.0590 1218.533 363.5411 1300.962 364.0232 1396.113 364.5053 1504.394 364.9874 1625.218 365.4695 1758.110 365.9517 1904.994 366.4338 2061.759 366.9159 2234.602 367.3980 2419.271 367.8801 2599.457 368.3622 2788.336 368.8444 2958.140 369.3265 3099.350 369.8086 3229.363 370.2907 3297.668 370.7728 3300.719 371.2549 3243.601 371.7371 3132.023 372.2192 2944.155 372.7013 2730.200 373.1834 2497.939 373.6655 2242.810 374.1476 2001.558 374.6298 1775.571 375.1119 1568.429 375.5940 1385.241 376.0761 1229.218 376.5582 1092.692 377.0403 975.6378 377.5225 877.4846 378.0046 791.4958 378.4867 719.9661 378.9688 658.0020 379.4509 603.7267 379.9330 557.6328 380.4152 516.2123 380.8973 479.8058 381.3794 447.5271 381.8615 419.6944 382.3436 395.8770 382.8257 373.0583 383.3079 349.7003 383.7900 326.0214 384.2721 301.5367 384.7542 276.2374 385.2363 251.5906 385.7184 228.3157 386.2006 206.8337 386.6827 186.9129 387.1648 168.4543 387.6469 151.9483 388.1290 138.2270 388.6111 127.1018 389.0933 117.1542 389.5754 106.9793 390.0575 97.58855 390.5396 90.23077 391.0217 85.49614 391.5038 81.42313 391.9860 76.69399 392.4681 71.65623 392.9502 66.86886 393.4323 62.62350 393.9144 58.69643 394.3965 55.03135 394.8787 51.60545 395.3608 48.37466 395.8429 45.24401 396.3250 42.30567 396.8071 39.62827 397.2892 37.41757 397.7714 35.25261 398.2535 33.07083 398.7356 30.87289 399.2177 28.71313 399.6998 26.28553 400.1819 24.15544 400.6641 22.60242 401.1462 21.98267 401.6283 21.21250 402.1104 20.27584 402.5925 19.19800 403.0746 17.95899 403.5568 16.34370 404.0389 14.96370 404.5210 14.05859 405.0031 13.62890 405.4852 12.97198 405.9673 12.04260 406.4495 11.01856 406.9316 9.955303 407.4137 8.813694 407.8958 7.776386 408.3779 6.848904 408.8600 6.066032 409.3422 5.633663 409.8243 5.579044 410.3064 5.376205 410.7885 4.491425 411.2706 3.138874 411.7527 2.366261 412.2349 2.271721 412.7170 2.379372 413.1991 2.153217 413.6812 1.669556 414.1633 1.192921 414.6454 0.8436660 415.1276 0.5342980 415.6097 0.1373210 416.0918 0.3321610 416.5739 0.7933920 417.0560 1.161983 417.5381 1.503586 418.0203 1.925774 418.5024 2.515186 418.9845 3.013031 419.4666 3.132938 419.9487 3.050659 420.4308 3.091225 420.9130 3.439205 421.3951 3.894581 421.8772 4.455364 422.3593 5.129616 422.8414 5.561687 423.3235 5.394768 423.8057 5.081242 424.2878 4.983715 424.7699 5.445152 425.2520 5.786072 425.7341 5.891495 426.2162 5.807674 426.6984 5.705460 427.1805 5.597267 427.6626 5.457298 428.1447 5.275471 428.6268 5.052177 429.1089 4.778183 429.5911 4.402969 430.0732 4.027016 430.5553 3.811230 431.0374 3.834137 431.5195 3.701469 432.0016 3.283993 432.4838 2.643829 432.9659 2.102100 433.4480 1.690624 433.9301 1.178810 434.4122 0.3923610 434.8943 0.6486550 435.3765 1.806870 435.8586 3.075684 436.3407 4.438515 436.8228 5.969627 437.3049 7.614326 437.7870 9.099586 438.2692 10.16111 438.7513 11.07220 439.2334 12.16486 439.7155 13.44314 440.1976 14.94851 440.6797 16.81660 441.1619 18.89011 441.6440 20.96469 442.1261 22.86199 442.6082 24.94919 443.0903 27.40562 443.5724 30.20490 444.0546 33.28982 444.5367 36.84378 445.0188 40.50285 445.5009 43.91231 445.9830 46.87199 446.4651 50.79747 446.9473 56.51405 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