#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:59 +0300 (Thu, 24 May 2018) $ #$Revision: 897 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000375.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_1000375 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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 1000375 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 112.9371 0.0000000E+00 113.4192 0.3748250 113.9013 0.4786150 114.3834 0.5268170 114.8655 0.2423480 115.3476 5.8699999E-04 115.8298 5.6931000E-02 116.3119 0.9290390 116.7940 1.479355 117.2761 1.557976 117.7582 1.345573 118.2403 1.036240 118.7225 0.7118150 119.2046 0.3938980 119.6867 0.4456250 120.1688 1.506836 120.6509 2.260551 121.1330 2.781204 121.6152 3.127266 122.0973 3.222092 122.5794 3.040779 123.0615 2.438972 123.5436 1.983879 124.0257 2.193947 124.5079 2.514214 124.9900 2.610825 125.4721 2.771790 125.9542 2.617226 126.4363 1.723946 126.9184 0.5100170 127.4006 0.2195510 127.8827 0.2660370 128.3648 1.559097 128.8469 2.425629 129.3290 2.666458 129.8111 2.518379 130.2932 2.038826 130.7754 1.312065 131.2575 0.6149440 131.7396 0.1550980 132.2217 5.6823999E-02 132.7038 0.1217500 133.1859 0.2149890 133.6681 0.5059280 134.1502 0.4673230 134.6323 0.1176910 135.1144 0.2583690 135.5965 0.2299270 136.0786 0.6350400 136.5608 1.010864 137.0429 0.5421070 137.5250 0.1077120 138.0071 0.4203340 138.4892 0.2458270 138.9713 0.1833650 139.4535 0.3823320 139.9356 8.7508999E-02 140.4177 7.9414003E-02 140.8998 1.8082000E-02 141.3819 0.1741330 141.8640 0.3929900 142.3462 0.6105190 142.8283 0.7818530 143.3104 0.7274320 143.7925 0.1584550 144.2746 0.1219330 144.7567 0.4036250 145.2388 1.567406 145.7210 2.681183 146.2031 3.491653 146.6852 3.970093 147.1673 4.139343 147.6494 3.818893 148.1315 3.452812 148.6137 3.507683 149.0958 4.045120 149.5779 4.566315 150.0600 4.851059 150.5421 4.990395 151.0242 5.035484 151.5064 4.975410 151.9885 4.865303 152.4706 4.779350 152.9527 4.589142 153.4348 4.699440 153.9169 5.331261 154.3991 6.245056 154.8812 7.177292 155.3633 7.990738 155.8454 8.692787 156.3275 9.323242 156.8096 9.785370 157.2918 10.15379 157.7739 10.39847 158.2560 10.57166 158.7381 10.76537 159.2202 11.06071 159.7023 11.46496 160.1845 11.68431 160.6666 11.39101 161.1487 11.24926 161.6308 11.61122 162.1129 12.38501 162.5950 13.21920 163.0772 13.81894 163.5593 14.15986 164.0414 14.31192 164.5235 14.12163 165.0056 13.87626 165.4877 13.73620 165.9698 13.72317 166.4520 13.83633 166.9341 14.13960 167.4162 14.63071 167.8983 14.97433 168.3804 15.33263 168.8625 15.44787 169.3447 14.77427 169.8268 13.03282 170.3089 11.33514 170.7910 11.09336 171.2731 11.93003 171.7552 12.57204 172.2374 12.40899 172.7195 11.66794 173.2016 10.95405 173.6837 10.25498 174.1658 9.735893 174.6479 9.591583 175.1301 9.726639 175.6122 9.772720 176.0943 9.388924 176.5764 8.597412 177.0585 7.971680 177.5406 7.597794 178.0228 7.377861 178.5049 7.351891 178.9870 7.467018 179.4691 7.551079 179.9512 7.401939 180.4333 6.944801 180.9155 6.596848 181.3976 6.566345 181.8797 6.477455 182.3618 6.050697 182.8439 5.325378 183.3260 4.621597 183.8082 4.390816 184.2903 4.992004 184.7724 5.104523 185.2545 4.458511 185.7366 3.650383 186.2187 2.898735 186.7009 2.282089 187.1830 1.884590 187.6651 1.862175 188.1472 2.579803 188.6293 2.896904 189.1114 2.592232 189.5936 2.021027 190.0757 1.431290 190.5578 0.9050670 191.0399 0.4850690 191.5220 0.2058940 192.0041 7.8429997E-02 192.4863 5.0522000E-02 192.9684 0.1646120 193.4505 0.3636170 193.9326 0.5921860 194.4147 0.8197940 194.8968 0.9947360 195.3790 0.9674000 195.8611 0.7080310 196.3432 0.5246120 196.8253 0.6210330 197.3074 0.8373030 197.7895 0.8236690 198.2717 0.3968350 198.7538 0.1316830 199.2359 0.3929900 199.7180 0.4006810 200.2001 0.2752380 200.6822 1.9653000E-02 201.1644 0.3374250 201.6465 0.6604920 202.1286 0.9456410 202.6107 1.149277 203.0928 1.183815 203.5749 1.054939 204.0571 0.9710390 204.5392 1.121429 205.0213 1.503418 205.5034 1.881882 205.9855 2.415230 206.4676 2.747169 206.9497 2.417793 207.4319 1.493401 207.9140 0.7419820 208.3961 1.190903 208.8782 3.098526 209.3603 4.363297 209.8424 4.087257 210.3246 3.617615 210.8067 3.612511 211.2888 4.148621 211.7709 4.925255 212.2530 5.529060 212.7351 5.766319 213.2173 6.168625 213.6994 7.095871 214.1815 8.020432 214.6636 8.620972 215.1457 8.823418 215.6278 8.771988 216.1100 8.744263 216.5921 8.790192 217.0742 8.966934 217.5563 9.349403 218.0384 9.683907 218.5205 9.785522 219.0027 9.667374 219.4848 9.507584 219.9669 9.500763 220.4490 9.667313 220.9311 9.895187 221.4132 10.15976 221.8954 10.52914 222.3775 11.20341 222.8596 12.14315 223.3417 12.92880 223.8238 12.91306 224.3059 11.50381 224.7881 10.99167 225.2702 12.35092 225.7523 14.01186 226.2344 14.52241 226.7165 13.63665 227.1986 12.25539 227.6807 11.40885 228.1629 11.19661 228.6450 11.16038 229.1271 11.46584 229.6092 11.84114 230.0913 12.02158 230.5734 11.96004 231.0556 11.72488 231.5377 11.32857 232.0198 10.77361 232.5019 10.28531 232.9840 9.899963 233.4661 9.600494 233.9483 9.361198 234.4304 9.175171 234.9125 9.070854 235.3946 9.139435 235.8767 9.337402 236.3588 9.480972 236.8410 9.458946 237.3231 9.377419 237.8052 9.470322 238.2873 9.847916 238.7694 10.06724 239.2515 9.477692 239.7337 8.432968 240.2158 7.730072 240.6979 7.880318 241.1800 8.487701 241.6621 8.853333 242.1442 8.968414 242.6264 8.834167 243.1085 8.082047 243.5906 7.126328 244.0727 6.716759 244.5548 7.505959 245.0369 8.882515 245.5191 9.457024 246.0012 8.884697 246.4833 8.317131 246.9654 8.507248 247.4475 8.995354 247.9296 9.147835 248.4117 8.612251 248.8939 7.663971 249.3760 6.838974 249.8581 5.993462 250.3402 5.627983 250.8223 6.358765 251.3044 7.440918 251.7866 8.007362 252.2687 7.625793 252.7508 6.696007 253.2329 6.154472 253.7150 6.294243 254.1971 6.225601 254.6793 5.366562 255.1614 4.389122 255.6435 4.058693 256.1256 4.717087 256.6077 5.799339 257.0898 6.064178 257.5720 5.017029 258.0541 4.130493 258.5362 3.605904 259.0183 3.317787 259.5004 3.265305 259.9825 3.434166 260.4647 3.603554 260.9468 3.281975 261.4289 1.951637 261.9110 1.169525 262.3931 1.316963 262.8752 1.777527 263.3574 2.172646 263.8395 2.368805 264.3216 2.337708 264.8037 1.959167 265.2858 0.7864760 265.7679 0.1952360 266.2501 0.7289510 266.7322 1.373924 267.2143 1.411247 267.6964 0.7328410 268.1785 0.2745130 268.6606 1.151390 269.1428 2.034470 269.6249 2.355980 270.1070 1.554779 270.5891 0.7422560 271.0712 0.7236330 271.5533 1.485886 272.0355 2.348366 272.5176 2.508369 272.9997 1.673965 273.4818 1.409073 273.9639 2.266106 274.4460 3.096313 274.9282 3.231064 275.4103 2.730423 275.8924 2.093521 276.3745 1.780937 276.8566 1.847206 277.3387 1.701561 277.8208 1.142990 278.3029 0.6150510 278.7851 0.3907780 279.2672 0.3778460 279.7493 0.2745590 280.2314 0.1520540 280.7135 0.8894810 281.1956 1.593491 281.6778 2.482880 282.1599 3.127274 282.6420 3.196449 283.1241 2.903442 283.6062 2.660156 284.0883 2.675301 284.5705 2.981476 285.0526 3.802376 285.5347 6.021744 286.0168 7.663452 286.4989 7.789322 286.9810 7.092262 287.4632 6.753181 287.9453 7.335991 288.4274 8.557587 288.9095 9.650375 289.3916 10.66297 289.8737 11.48677 290.3559 11.86049 290.8380 12.10059 291.3201 12.68915 291.8022 13.80787 292.2843 15.14521 292.7664 16.13103 293.2486 16.51801 293.7307 17.14020 294.2128 18.27318 294.6949 19.59056 295.1770 20.78645 295.6591 21.79167 296.1413 22.59037 296.6234 23.08247 297.1055 23.09669 297.5876 23.58060 298.0697 24.92361 298.5518 26.52628 299.0340 27.86422 299.5161 28.87761 299.9982 29.86720 300.4803 31.14266 300.9624 32.73872 301.4445 34.09595 301.9267 35.26649 302.4088 36.15517 302.8909 36.41872 303.3730 36.20003 303.8551 36.33436 304.3372 37.48059 304.8194 39.54164 305.3015 41.39853 305.7836 43.18950 306.2657 44.67871 306.7478 45.53363 307.2299 45.95689 307.7121 46.54344 308.1942 47.60216 308.6763 49.03999 309.1584 50.55118 309.6405 52.41040 310.1227 53.93364 310.6048 54.61444 311.0869 54.83780 311.5690 55.34048 312.0511 56.41996 312.5332 57.80355 313.0154 58.95311 313.4975 59.81334 313.9796 60.67311 314.4617 61.55019 314.9438 62.47078 315.4259 63.43222 315.9081 64.42409 316.3902 65.59163 316.8723 67.22905 317.3544 69.47184 317.8365 71.30542 318.3186 72.31458 318.8007 73.09002 319.2828 74.22147 319.7650 75.75520 320.2471 77.23763 320.7292 78.24715 321.2113 78.76453 321.6934 79.43685 322.1755 80.28947 322.6577 81.27058 323.1398 82.39304 323.6219 83.61342 324.1040 84.85043 324.5861 85.96449 325.0682 87.05035 325.5504 88.52083 326.0325 90.59626 326.5146 92.65753 326.9967 94.48466 327.4788 96.17397 327.9609 98.01595 328.4431 100.1636 328.9252 102.3027 329.4073 103.6878 329.8894 103.9983 330.3715 104.3914 330.8536 105.0964 331.3358 106.0273 331.8179 107.0433 332.3000 108.1230 332.7821 109.3754 333.2642 110.9772 333.7463 113.0569 334.2285 115.0486 334.7106 116.8065 335.1927 118.5221 335.6748 120.4012 336.1569 122.4332 336.6390 124.4718 337.1212 126.4158 337.6033 128.2686 338.0854 129.7926 338.5675 130.7382 339.0496 131.6156 339.5317 132.7245 340.0139 133.9879 340.4960 135.0846 340.9781 135.7673 341.4602 136.1973 341.9423 137.2129 342.4244 139.2517 342.9066 141.2503 343.3887 142.9980 343.8708 144.5761 344.3529 146.1441 344.8350 147.7621 345.3171 149.2648 345.7993 150.3249 346.2814 150.6738 346.7635 150.9881 347.2456 151.0992 347.7277 151.2960 348.2098 151.8801 348.6920 152.8546 349.1741 153.9400 349.6562 154.8248 350.1383 155.4681 350.6204 156.1091 351.1025 156.6119 351.5847 157.2481 352.0668 158.3731 352.5489 159.7714 353.0310 160.8800 353.5131 161.2937 353.9952 161.0522 354.4774 160.5175 354.9595 159.1072 355.4416 158.0727 355.9237 158.2244 356.4058 158.7584 356.8879 158.4475 357.3701 156.7258 357.8522 154.2040 358.3343 152.2354 358.8164 151.7139 359.2985 150.3345 359.7806 147.3822 360.2627 144.0744 360.7448 141.4205 361.2270 139.5573 361.7091 137.9175 362.1912 135.8147 362.6733 133.1434 363.1554 130.4622 363.6375 127.5830 364.1197 124.8779 364.6018 122.7484 365.0839 120.9295 365.5660 118.8286 366.0481 115.9765 366.5302 112.4765 367.0124 109.1210 367.4945 105.9191 367.9766 102.8771 368.4587 99.94245 368.9408 97.19024 369.4229 94.82858 369.9051 92.96217 370.3872 91.18335 370.8693 88.58938 371.3514 84.65530 371.8335 81.28035 372.3156 78.86774 372.7978 76.89884 373.2799 75.26464 373.7620 73.84920 374.2441 72.23009 374.7262 69.87694 375.2083 66.75361 375.6905 63.83499 376.1726 61.11513 376.6547 58.63356 377.1368 56.41991 377.6189 54.43348 378.1010 52.65965 378.5832 51.21556 379.0653 49.86435 379.5474 47.84355 380.0295 44.79123 380.5116 42.02870 380.9937 40.19509 381.4759 38.81334 381.9580 37.48820 382.4401 36.13065 382.9222 34.77084 383.4043 33.61732 383.8864 32.66194 384.3686 31.04883 384.8507 27.92947 385.3328 24.80807 385.8149 23.02557 386.2970 22.47923 386.7791 22.05740 387.2613 21.09875 387.7434 19.84621 388.2255 18.98229 388.7076 18.73007 389.1897 18.25641 389.6718 16.60839 390.1540 14.33040 390.6361 12.53527 391.1182 11.69920 391.6003 11.17256 392.0824 10.37035 392.5645 9.314148 393.0467 8.276695 393.5288 7.363960 394.0109 6.573463 394.4930 5.863449 394.9751 5.220505 395.4572 4.715446 395.9394 4.458542 396.4215 4.342186 396.9036 4.177948 397.3857 3.902115 397.8678 3.625519 398.3499 3.563606 398.8321 3.752792 399.3142 3.553207 399.7963 2.510750 400.2784 1.406662 400.7605 0.7530060 401.2426 0.5035930 401.7247 0.3964160 402.2068 0.3039090 402.6890 0.2377470 403.1711 0.1913680 403.6532 0.3110050 404.1353 0.2547150 404.6174 0.2106550 405.0995 0.7965390 405.5817 1.151260 406.0638 1.171646 406.5459 0.9895550 407.0280 0.7645110 407.5101 0.4359130 407.9922 0.2685470 408.4744 0.3909450 408.9565 0.5355990 409.4386 0.5495990 409.9207 0.4530330 410.4028 0.3530880 410.8849 0.3298340 411.3671 0.3691790 411.8492 0.3638000 412.3313 0.1568450 412.8134 0.1085050 413.2955 0.6107640 413.7776 1.133919 414.2598 0.9520190 414.7419 0.1294170 415.2240 1.409172 415.7061 1.731133 416.1882 0.7310710 416.6703 4.5929000E-02 417.1525 0.2212450 417.6346 0.1700740 418.1167 0.3991090 418.5988 1.301804 419.0809 2.015419 419.5630 2.097794 420.0452 1.717751 420.5273 1.585762 421.0094 1.751350 421.4915 2.075066 421.9736 2.682686 422.4557 3.331482 422.9379 3.688423 423.4200 3.613838 423.9021 3.530220 424.3842 4.011749 424.8663 5.025177 425.3484 5.734993 425.8306 5.861382 426.3127 5.757729 426.7948 5.708458 427.2769 5.713684 427.7590 5.782318 428.2411 5.935249 428.7233 6.146126 429.2054 6.339516 429.6875 6.502731 430.1696 6.828018 430.6517 7.589218 431.1339 8.549835 431.6160 9.036438 432.0981 8.907639 432.5802 8.525917 433.0623 7.787666 433.5444 6.957779 434.0266 6.619453 434.5087 6.969414 434.9908 7.722351 435.4729 8.613152 435.9550 9.779404 436.4371 10.34277 436.9193 9.784798 437.4014 9.011192 437.8835 8.669266 438.3656 8.704819 438.8477 8.687668 439.3298 8.315903 439.8120 7.685089 440.2941 7.323807 440.7762 7.777527 441.2583 7.818726 441.7404 6.903671 442.2225 5.734436 442.7046 5.108078 443.1867 5.186775 443.6689 5.432198 444.1510 5.109428 444.6331 4.025337 445.1152 3.337135 445.5973 3.596069 446.0794 3.707962 446.5616 3.199059 447.0437 2.275490 447.5258 1.323654 448.0079 0.5392530 448.4900 6.4162999E-02 448.9721 0.4412310 449.4543 0.5593800 449.9364 0.5421370 450.4185 0.2162630 450.9006 9.7884998E-02 451.3827 0.1585390 451.8648 5.3245999E-02 452.3470 0.3621600 452.8291 0.6388700 453.3112 0.8996660 453.7933 1.247597 454.2754 1.783836 454.7575 2.171120 455.2397 1.970657 455.7218 1.497726 456.2039 1.306839 456.6860 1.675926 457.1681 2.134262 457.6502 2.373970 458.1324 2.387474 458.6145 2.092384 459.0966 1.366791 459.5787 0.5066830 460.0608 2.0888999E-02 460.5429 0.1970370 461.0251 0.4109570 461.5072 0.8508450 461.9893 1.274582 462.4714 1.398849 462.9535 1.245544 463.4356 1.087105 463.9178 1.086159 464.3999 1.267754 464.8820 1.737572 465.3641 3.046593 465.8462 3.921188 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