#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:34:15 +0300 (Thu, 24 May 2018) $ #$Revision: 733 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000237.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_1000237 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 R060449 _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 R060449.rod _rod_data_source.block 3500000 _rod_database.code 1000237 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 92.10938 0.0000000E+00 92.59149 9.3130000E-02 93.07361 0.1994560 93.55573 0.3240520 94.03784 0.5342740 94.51996 1.384015 95.00208 2.525547 95.48419 2.934081 95.96631 2.125919 96.44843 0.6916960 96.93054 2.8672000E-02 97.41266 9.5259003E-02 97.89478 0.4426590 98.37689 0.9170200 98.85901 1.557084 99.34113 1.905706 99.82324 1.800391 100.3054 2.095927 100.7875 1.960190 101.2696 1.343267 101.7517 0.8393830 102.2338 0.9931160 102.7159 1.653989 103.1981 2.095874 103.6802 2.056147 104.1623 1.300018 104.6444 0.6956450 105.1265 0.2817940 105.6086 6.5952003E-02 106.0908 8.6456999E-02 106.5729 0.6546170 107.0550 1.107758 107.5371 1.009693 108.0192 0.4349970 108.5013 1.231384 108.9835 0.8957630 109.4656 0.5227240 109.9477 1.380737 110.4298 1.333839 110.9119 0.9152910 111.3940 0.4934830 111.8762 0.2335330 112.3583 0.6488780 112.8404 0.4863940 113.3225 0.3370750 113.8046 0.8865520 114.2867 0.7831110 114.7689 0.4236400 115.2510 0.2413080 115.7331 0.2955770 116.2152 0.5726230 116.6973 1.250128 117.1794 2.545609 117.6616 3.338625 118.1437 2.718638 118.6258 1.374804 119.1079 0.4645210 119.5900 0.9176550 120.0721 1.676826 120.5543 1.949081 121.0364 1.356819 121.5185 0.9129970 122.0006 1.457879 122.4827 2.697165 122.9648 3.804748 123.4470 4.383333 123.9291 4.539358 124.4112 4.291418 124.8933 3.325631 125.3754 2.435069 125.8575 2.551387 126.3397 3.553665 126.8218 4.703064 127.3039 5.452092 127.7860 5.948187 128.2681 6.491601 128.7502 7.242323 129.2324 8.033087 129.7145 8.531939 130.1966 8.743102 130.6787 8.882670 131.1608 9.104841 131.6429 9.411080 132.1251 9.850285 132.6072 10.70019 133.0893 11.68255 133.5714 11.61228 134.0535 10.28397 134.5356 8.846505 135.0178 8.952600 135.4999 10.64064 135.9820 12.16134 136.4641 12.77372 136.9462 12.50612 137.4283 12.34884 137.9105 12.31346 138.3926 12.36735 138.8747 12.50394 139.3568 12.77577 139.8389 12.92373 140.3210 12.75334 140.8032 12.15011 141.2853 11.84107 141.7674 11.88168 142.2495 12.19058 142.7316 12.50213 143.2137 12.57273 143.6959 12.84935 144.1780 13.78165 144.6601 15.92985 145.1422 17.31683 145.6243 17.83274 146.1064 17.65792 146.5886 17.26750 147.0707 16.24171 147.5528 15.38641 148.0349 15.11212 148.5170 15.79935 148.9991 16.64895 149.4813 17.53847 149.9634 18.19564 150.4455 19.10843 150.9276 20.55721 151.4097 22.04734 151.8918 23.23078 152.3740 22.94188 152.8561 23.65997 153.3382 25.68521 153.8203 28.98592 154.3024 33.07568 154.7845 38.77193 155.2667 44.74285 155.7488 50.08213 156.2309 54.97112 156.7130 58.81648 157.1951 61.12582 157.6772 61.82513 158.1594 62.70784 158.6415 63.88345 159.1236 65.50598 159.6057 67.73538 160.0878 71.01283 160.5699 74.49747 161.0521 77.87622 161.5342 81.06798 162.0163 84.51799 162.4984 88.20828 162.9805 92.28352 163.4626 96.92729 163.9448 102.3352 164.4269 108.2330 164.9090 114.3191 165.3911 120.3955 165.8732 127.5471 166.3553 136.3763 166.8375 146.6846 167.3196 158.0639 167.8017 167.5984 168.2838 179.6895 168.7659 196.8370 169.2480 218.6728 169.7302 248.0524 170.2123 286.0713 170.6944 333.1773 171.1765 389.4952 171.6586 456.4530 172.1407 532.2202 172.6229 625.1376 173.1050 749.9581 173.5871 852.3718 174.0692 889.0996 174.5513 865.6251 175.0334 796.1531 175.5156 651.1935 175.9977 474.9408 176.4798 333.4554 176.9619 237.8833 177.4440 172.1652 177.9261 126.3047 178.4083 97.96218 178.8904 78.31200 179.3725 64.73516 179.8546 55.51484 180.3367 47.80133 180.8188 41.20490 181.3010 35.67626 181.7831 31.38534 182.2652 28.29144 182.7473 25.79199 183.2294 23.66853 183.7115 21.83333 184.1937 20.09210 184.6758 18.33369 185.1579 16.71334 185.6400 15.52118 186.1221 14.75094 186.6042 14.04134 187.0864 13.09874 187.5685 11.97010 188.0506 10.87431 188.5327 9.776062 189.0148 8.799433 189.4969 8.329544 189.9791 8.394733 190.4612 8.382740 190.9433 7.516291 191.4254 5.946049 191.9075 4.979900 192.3896 5.201561 192.8718 6.077633 193.3539 5.942087 193.8360 4.696518 194.3181 3.272728 194.8002 2.500261 195.2823 2.363825 195.7645 2.386457 196.2466 2.495571 196.7287 2.669111 197.2108 2.873819 197.6929 3.147936 198.1750 3.276028 198.6572 2.987715 199.1393 2.263557 199.6214 1.541885 200.1035 0.9028210 200.5856 0.3481730 201.0677 0.1121750 201.5499 0.4942420 202.0320 0.7409930 202.5141 0.7800940 202.9962 0.5979650 203.4783 0.2873590 203.9604 0.2712250 204.4426 0.9896810 204.9247 1.011021 205.4068 0.1458630 205.8889 0.9439470 206.3710 1.613134 206.8531 1.808126 207.3353 1.870104 207.8174 1.899342 208.2995 1.880459 208.7816 1.559971 209.2637 0.8603630 209.7458 2.2732001E-02 210.2280 0.7091940 210.7101 1.312492 211.1922 1.893547 211.6743 2.464725 212.1564 3.020943 212.6385 3.619621 213.1207 4.294834 213.6028 5.263710 214.0849 6.517002 214.5670 7.870335 215.0491 9.799675 215.5313 12.42189 216.0134 15.74753 216.4955 19.52287 216.9776 23.63217 217.4597 28.20672 217.9418 33.70858 218.4239 40.64019 218.9061 47.23633 219.3882 53.20538 219.8703 58.51427 220.3524 63.03724 220.8345 66.23154 221.3166 69.10940 221.7988 72.76279 222.2809 77.37555 222.7630 82.17921 223.2451 86.89489 223.7272 91.60845 224.2093 97.20432 224.6915 103.5488 225.1736 110.9107 225.6557 119.3428 226.1378 128.7680 226.6199 139.8766 227.1020 152.8644 227.5842 167.8523 228.0663 184.0085 228.5484 202.2735 229.0305 220.9112 229.5126 238.2680 229.9947 253.5385 230.4769 268.9137 230.9590 283.6271 231.4411 297.6371 231.9232 317.5819 232.4053 341.9527 232.8874 374.1617 233.3696 417.1367 233.8517 470.9526 234.3338 536.1975 234.8159 618.9570 235.2980 719.2420 235.7801 804.8487 236.2623 897.2549 236.7444 951.8814 237.2265 925.8608 237.7086 778.8185 238.1907 628.4474 238.6728 483.5042 239.1550 345.3493 239.6371 239.2195 240.1192 173.4649 240.6013 130.2125 241.0834 97.50527 241.5655 79.28403 242.0477 64.46713 242.5298 52.08543 243.0119 42.09501 243.4940 34.18584 243.9761 29.03713 244.4582 25.16570 244.9404 21.49409 245.4225 17.62035 245.9046 14.77778 246.3867 13.29414 246.8688 13.00680 247.3509 12.84238 247.8331 12.96021 248.3152 12.99749 248.7973 12.71950 249.2794 12.04919 249.7615 11.19479 250.2436 10.00368 250.7258 8.622608 251.2079 7.796215 251.6900 7.762486 252.1721 7.932949 252.6542 7.949692 253.1363 7.620312 253.6185 7.617596 254.1006 8.036022 254.5827 8.801544 255.0648 9.650139 255.5469 10.56212 256.0291 11.56714 256.5112 12.62658 256.9933 13.57682 257.4754 14.99418 257.9575 16.90160 258.4396 19.28416 258.9218 21.87723 259.4039 24.19585 259.8860 27.68144 260.3681 32.96330 260.8502 40.04007 261.3323 49.16467 261.8145 60.54329 262.2966 73.81490 262.7787 88.59222 263.2608 105.5064 263.7429 122.5634 264.2250 141.3139 264.7072 165.3859 265.1893 175.3766 265.6714 168.7459 266.1535 150.0033 266.6356 125.2690 267.1177 90.74197 267.5999 59.78389 268.0820 37.65952 268.5641 25.00969 269.0462 15.17710 269.5283 8.591446 270.0104 4.154984 270.4926 0.1907500 270.9747 3.392216 271.4568 6.306736 271.9389 8.362473 272.4210 9.554100 272.9031 10.63942 273.3853 11.71347 273.8674 12.51358 274.3495 12.54095 274.8316 11.60577 275.3137 10.89169 275.7958 10.75836 276.2780 11.16792 276.7601 11.64472 277.2422 12.30593 277.7243 12.73950 278.2064 12.47339 278.6885 11.45798 279.1707 10.13863 279.6528 8.433228 280.1349 6.505455 280.6170 5.362198 281.0991 5.177689 281.5812 5.063293 282.0634 4.136963 282.5455 2.354668 283.0276 0.8053210 283.5097 0.2279050 283.9918 0.9425960 284.4739 1.979630 284.9561 3.373520 285.4382 4.839005 285.9203 5.993942 286.4024 6.874283 286.8845 8.355148 287.3666 10.56540 287.8488 13.39423 288.3309 16.65623 288.8130 20.35397 289.2951 24.33361 289.7772 28.41552 290.2593 32.62981 290.7415 37.21011 291.2236 41.84987 291.7057 47.50450 292.1878 56.07563 292.6699 67.39891 293.1520 79.51307 293.6342 91.48973 294.1163 103.4060 294.5984 115.4100 295.0805 127.8858 295.5626 139.3021 296.0447 148.9048 296.5269 156.3292 297.0090 159.7949 297.4911 157.2715 297.9732 150.3284 298.4553 141.7091 298.9374 131.3463 299.4196 120.9638 299.9017 111.6518 300.3838 103.7072 300.8659 98.07667 301.3480 95.57513 301.8301 95.43688 302.3123 96.45798 302.7944 98.67117 303.2765 102.6663 303.7586 108.8236 304.2407 117.1108 304.7228 127.5453 305.2050 139.2747 305.6871 153.9808 306.1692 172.7667 306.6513 195.8395 307.1334 223.0003 307.6155 254.2800 308.0977 289.8279 308.5798 329.7210 309.0619 374.1396 309.5440 423.4556 310.0261 481.9806 310.5082 546.5869 310.9904 607.5151 311.4725 675.4368 311.9546 729.4056 312.4367 751.0402 312.9188 735.9363 313.4009 693.4160 313.8831 612.1714 314.3652 508.6745 314.8473 412.8868 315.3294 331.7104 315.8115 265.3999 316.2936 215.5879 316.7758 183.5559 317.2579 160.0080 317.7400 142.2397 318.2221 130.1096 318.7042 123.0018 319.1863 122.7752 319.6685 125.7160 320.1506 130.1830 320.6327 136.0817 321.1148 145.1065 321.5969 158.9720 322.0790 175.4820 322.5612 193.1296 323.0433 212.4126 323.5254 231.7737 324.0075 254.3082 324.4896 278.5787 324.9717 293.1614 325.4539 296.3145 325.9360 289.4109 326.4181 273.0508 326.9002 236.8357 327.3823 204.4210 327.8644 176.0860 328.3466 152.3237 328.8287 134.7885 329.3108 126.2255 329.7929 121.5624 330.2750 119.1673 330.7571 118.6152 331.2393 121.2005 331.7214 127.1707 332.2035 136.3067 332.6856 148.0476 333.1677 162.1767 333.6498 179.2770 334.1320 200.1156 334.6141 224.7027 335.0962 249.8526 335.5783 276.2442 336.0604 302.5628 336.5425 327.6436 337.0247 350.9645 337.5068 374.4972 337.9889 398.3248 338.4710 422.5962 338.9531 449.5837 339.4352 479.3853 339.9173 512.1860 340.3994 547.4985 340.8816 585.3907 341.3637 626.8228 341.8458 671.8998 342.3279 720.8487 342.8100 776.1595 343.2921 836.9776 343.7743 906.7286 344.2564 984.9529 344.7385 1072.605 345.2206 1173.627 345.7027 1288.216 346.1848 1419.037 346.6670 1567.779 347.1491 1734.972 347.6312 1928.036 348.1133 2157.491 348.5954 2416.779 349.0775 2690.056 349.5597 2980.711 350.0418 3275.997 350.5239 3585.678 351.0060 3893.978 351.4881 4141.609 351.9702 4335.166 352.4524 4437.620 352.9345 4370.816 353.4166 4143.837 353.8987 3836.210 354.3808 3455.732 354.8629 3046.976 355.3451 2682.758 355.8272 2375.892 356.3093 2121.964 356.7914 1923.928 357.2735 1775.585 357.7556 1665.327 358.2378 1598.265 358.7199 1560.468 359.2020 1542.260 359.6841 1543.116 360.1662 1559.838 360.6483 1590.852 361.1305 1636.497 361.6126 1697.312 362.0947 1769.524 362.5768 1860.515 363.0589 1971.935 363.5410 2103.941 364.0232 2262.856 364.5053 2448.659 364.9874 2663.433 365.4695 2908.761 365.9516 3190.369 366.4337 3496.825 366.9159 3839.509 367.3980 4210.117 367.8801 4577.307 368.3622 4966.026 368.8443 5323.464 369.3264 5632.425 369.8086 5933.791 370.2907 6110.170 370.7728 6158.277 371.2549 6083.177 371.7370 5887.495 372.2191 5522.337 372.7013 5100.533 373.1834 4638.440 373.6655 4125.621 374.1476 3649.633 374.6297 3215.921 375.1118 2825.552 375.5940 2483.522 376.0761 2196.486 376.5582 1947.024 377.0403 1734.383 377.5224 1557.982 378.0045 1407.777 378.4867 1288.375 378.9688 1187.543 379.4509 1099.787 379.9330 1025.924 380.4151 961.9235 380.8972 908.8715 381.3794 863.9592 381.8615 826.8652 382.3436 796.8423 382.8257 763.8831 383.3078 722.6858 383.7899 674.6583 384.2721 621.2123 384.7542 562.0599 385.2363 503.5627 385.7184 450.0375 386.2005 402.1182 386.6826 358.3461 387.1648 318.1334 387.6469 282.8836 388.1290 254.9647 388.6111 233.8683 389.0932 215.9634 389.5753 199.5088 390.0575 184.5206 390.5396 170.7053 391.0217 157.8198 391.5038 146.2740 391.9859 136.5067 392.4680 128.2660 392.9502 120.9536 393.4323 115.1444 393.9144 109.6058 394.3965 103.5698 394.8786 96.92046 395.3607 90.66600 395.8429 85.36295 396.3250 80.45987 396.8071 75.44200 397.2892 69.53285 397.7713 64.19408 398.2534 60.03101 398.7356 56.81786 399.2177 53.55308 399.6998 49.97456 400.1819 46.46062 400.6640 43.13373 401.1461 39.83366 401.6283 37.05910 402.1104 34.90381 402.5925 33.23630 403.0746 31.88659 403.5567 31.19917 404.0388 30.19234 404.5210 28.50206 405.0031 26.14429 405.4852 24.11250 405.9673 22.38599 406.4494 20.97784 406.9315 20.11193 407.4137 19.93208 407.8958 18.96882 408.3779 16.64941 408.8600 13.77950 409.3421 12.70761 409.8242 13.56268 410.3064 14.18440 410.7885 12.85318 411.2706 10.05567 411.7527 8.275986 412.2348 7.698769 412.7169 7.665527 413.1991 7.760201 413.6812 7.861298 414.1633 7.532982 414.6454 6.378654 415.1275 4.895073 415.6096 3.770622 416.0918 2.966362 416.5739 2.110252 417.0560 0.7155610 417.5381 0.7755970 418.0202 1.777306 418.5023 1.970146 418.9845 2.187889 419.4666 3.218147 419.9487 4.623260 420.4308 5.549965 420.9129 5.074448 421.3951 4.546982 421.8772 4.711670 422.3593 5.660965 422.8414 6.555031 423.3235 7.291283 423.8056 7.809921 424.2878 8.051018 424.7699 7.655922 425.2520 7.389603 425.7341 7.352325 426.2162 7.510284 426.6983 7.777290 427.1805 8.456444 427.6626 8.886765 428.1447 8.702324 428.6268 7.570900 429.1089 7.094307 429.5910 7.590202 430.0732 8.405594 430.5553 8.704536 431.0374 8.354050 431.5195 8.036629 432.0016 7.996498 432.4837 8.101372 432.9659 7.601234 433.4480 6.392578 433.9301 5.228142 434.4122 5.045868 434.8943 5.586250 435.3764 4.752487 435.8586 2.054893 436.3407 1.158348 436.8228 2.947739 437.3049 3.591492 437.7870 4.241402 438.2691 5.490730 438.7513 7.026825 439.2334 8.353714 439.7155 9.491615 440.1976 10.78063 440.6797 12.49538 441.1618 14.49221 441.6440 16.60418 442.1261 18.74829 442.6082 21.03625 443.0903 23.33485 443.5724 25.82220 444.0545 28.88292 444.5367 32.64036 445.0188 37.02093 445.5009 42.00464 445.9830 47.52673 446.4651 53.80563 446.9472 61.35930 447.4294 69.45752 447.9115 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474.4279 18.52806 474.9100 21.87299 475.3921 25.73615 475.8742 30.01257 476.3564 34.48574 476.8385 39.15517 477.3206 44.08025 477.8027 49.48942 478.2848 55.15335 478.7669 60.36761 479.2491 64.82563 479.7312 69.70337 480.2133 76.20501 480.6954 83.89729 481.1775 92.01921 481.6596 100.4110 482.1418 108.9123 482.6239 117.0184 483.1060 124.9623 483.5881 134.0490 484.0702 144.1735 484.5523 156.0933 485.0345 170.3731 485.5166 187.3355 485.9987 205.9237 486.4808 224.9877 486.9629 245.8533 487.4450 270.1958 487.9272 299.6561 488.4093 330.2872 488.8914 361.4377 489.3735 393.5634 489.8556 427.9907 490.3377 466.1768 490.8199 504.5159 491.3020 542.6873 491.7841 581.7529 492.2662 610.1663 492.7483 627.5865 493.2304 633.5537 493.7126 625.7007 494.1947 604.8322 494.6768 575.7795 495.1589 537.5381 495.6410 494.5107 496.1231 453.8146 496.6053 415.1152 497.0874 380.0982 497.5695 347.8033 498.0516 319.9286 498.5337 298.0259 499.0158 282.5895 499.4980 272.2409 499.9801 267.6147 500.4622 266.9821 500.9443 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