#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:33:55 +0300 (Thu, 24 May 2018) $ #$Revision: 896 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000374.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_1000374 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 R060326 _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 R060326.rod _rod_data_source.block 3500000 _rod_database.code 1000374 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 110.5265 0.0000000E+00 111.0086 0.3619080 111.4907 0.2139130 111.9728 0.1433560 112.4549 0.3260960 112.9371 0.3412320 113.4192 0.1474610 113.9013 6.2180001E-02 114.3834 1.5167000E-02 114.8655 0.2523190 115.3476 0.4507600 115.8298 0.6282500 116.3119 1.214706 116.7940 1.511490 117.2761 1.125977 117.7582 0.4599300 118.2403 0.1952510 118.7225 0.2318730 119.2046 0.4983980 119.6867 0.9293820 120.1688 1.898392 120.6509 2.669464 121.1330 2.834976 121.6152 2.513153 122.0973 2.305405 122.5794 2.394714 123.0615 2.647217 123.5436 2.833206 124.0257 2.999374 124.5079 2.958099 124.9900 2.354538 125.4721 0.9814450 125.9542 0.1818240 126.4363 6.1416999E-02 126.9184 1.171539 127.4006 2.054077 127.8827 2.302353 128.3648 2.077927 128.8469 1.818893 129.3290 1.554916 129.8111 1.304825 130.2932 1.085144 130.7754 0.9098360 131.2575 0.7686310 131.7396 0.6608890 132.2217 0.5982060 132.7038 0.4722440 133.1859 6.5186001E-02 133.6681 0.2442470 134.1502 0.2125400 134.6323 0.1461640 135.1144 0.5884090 135.5965 0.7704320 136.0786 0.4719240 136.5608 0.3592680 137.0429 0.5358430 137.5250 0.7978060 138.0071 0.9691310 138.4892 1.002518 138.9713 1.006409 139.4535 1.216446 139.9356 2.034775 140.4177 2.502838 140.8998 2.306656 141.3819 1.789124 141.8640 1.371628 142.3462 1.212494 142.8283 1.326508 143.3104 1.814972 143.7925 2.929825 144.2746 3.904465 144.7567 4.291046 145.2388 4.221146 145.7210 4.301514 146.2031 5.033920 146.6852 5.959854 147.1673 6.118912 147.6494 4.945755 148.1315 3.751312 148.6137 3.918961 149.0958 5.649719 149.5779 7.477509 150.0600 8.511765 150.5421 9.296844 151.0242 10.49367 151.5064 12.34122 151.9885 14.34636 152.4706 15.53253 152.9527 15.43771 153.4348 15.81389 153.9169 16.54547 154.3991 17.52130 154.8812 18.96992 155.3633 20.35716 155.8454 21.73489 156.3275 22.55351 156.8096 21.92403 157.2918 21.45378 157.7739 21.60158 158.2560 22.15822 158.7381 22.70135 159.2202 22.87671 159.7023 22.65215 160.1845 22.75809 160.6666 23.32213 161.1487 24.06071 161.6308 25.04619 162.1129 26.16348 162.5950 27.09634 163.0772 27.51573 163.5593 27.33029 164.0414 27.46652 164.5235 28.18109 165.0056 28.99611 165.4877 29.47423 165.9698 29.60249 166.4520 29.87364 166.9341 30.89343 167.4162 32.66939 167.8983 34.24165 168.3804 35.26242 168.8625 36.17937 169.3447 37.85683 169.8268 40.57397 170.3089 43.38371 170.7910 45.19644 171.2731 46.25156 171.7552 47.33432 172.2374 49.32831 172.7195 51.62115 173.2016 52.40662 173.6837 51.07355 174.1658 48.69127 174.6479 46.19833 175.1301 43.50949 175.6122 40.25481 176.0943 35.68105 176.5764 29.87849 177.0585 25.22882 177.5406 22.50288 178.0228 20.50938 178.5049 18.96159 178.9870 17.70448 179.4691 16.42833 179.9512 14.75446 180.4333 12.54158 180.9155 10.58693 181.3976 8.856003 181.8797 7.401428 182.3618 6.277359 182.8439 5.477081 183.3260 4.972046 183.8082 4.768906 184.2903 5.130722 184.7724 5.212479 185.2545 4.925735 185.7366 4.478470 186.2187 3.967087 186.7009 3.425461 187.1830 2.861191 187.6651 2.276947 188.1472 1.576492 188.6293 1.086227 189.1114 1.008316 189.5936 1.022552 190.0757 0.8265840 190.5578 0.3428340 191.0399 0.2606050 191.5220 0.7303010 192.0041 1.037735 192.4863 1.197418 192.9684 1.181366 193.4505 1.043365 193.9326 0.7704470 194.4147 0.3069610 194.8968 9.8709002E-02 195.3790 0.2225950 195.8611 1.434296 196.3432 2.041931 196.8253 0.8901370 197.3074 1.165298 197.7895 2.103821 198.2717 0.9882970 198.7538 0.7301790 199.2359 1.089722 199.7180 8.5814998E-02 200.2001 0.9156340 200.6822 1.052185 201.1644 0.5204620 201.6465 0.2798770 202.1286 0.6707760 202.6107 1.287003 203.0928 1.769394 203.5749 2.115524 204.0571 2.377304 204.5392 2.608551 205.0213 2.809402 205.5034 2.865753 205.9855 2.587494 206.4676 2.296509 206.9497 2.132339 207.4319 2.115585 207.9140 2.290146 208.3961 2.738617 208.8782 3.497482 209.3603 4.296494 209.8424 5.316010 210.3246 6.216827 210.8067 6.842926 211.2888 7.167694 211.7709 7.237640 212.2530 6.894180 212.7351 5.661316 213.2173 5.574661 213.6994 7.501297 214.1815 9.829422 214.6636 11.87146 215.1457 13.40097 215.6278 14.52225 216.1100 15.46132 216.5921 15.97710 217.0742 17.00533 217.5563 18.91689 218.0384 20.88879 218.5205 22.55675 219.0027 23.81221 219.4848 24.62222 219.9669 24.83505 220.4490 23.94289 220.9311 23.82333 221.4132 24.78499 221.8954 26.11906 222.3775 27.48538 222.8596 28.81436 223.3417 30.05379 223.8238 30.98531 224.3059 31.27693 224.7881 31.92178 225.2702 33.27838 225.7523 34.81079 226.2344 35.89911 226.7165 36.44847 227.1986 37.08890 227.6807 38.68567 228.1629 41.50328 228.6450 43.95584 229.1271 45.87656 229.6092 47.41956 230.0913 48.52637 230.5734 49.16452 231.0556 49.88501 231.5377 51.21693 232.0198 53.14616 232.5019 55.79897 232.9840 59.72755 233.4661 64.16696 233.9483 68.29141 234.4304 72.01811 234.9125 75.29175 235.3946 78.69287 235.8767 81.89259 236.3588 82.63911 236.8410 79.53445 237.3231 73.91776 237.8052 67.49658 238.2873 60.17982 238.7694 52.68694 239.2515 44.98915 239.7337 37.45549 240.2158 31.08255 240.6979 26.61647 241.1800 23.42889 241.6621 20.42903 242.1442 17.57581 242.6264 14.97319 243.1085 12.55937 243.5906 10.42206 244.0727 8.799133 244.5548 7.922485 245.0369 7.566483 245.5191 7.268280 246.0012 7.013016 246.4833 6.841415 246.9654 7.036545 247.4475 7.274551 247.9296 7.040634 248.4117 5.934357 248.8939 4.369308 249.3760 3.293976 249.8581 2.824524 250.3402 2.689743 250.8223 3.102066 251.3044 3.656540 251.7866 3.846664 252.2687 3.400284 252.7508 2.646393 253.2329 2.332291 253.7150 2.691162 254.1971 2.889679 254.6793 2.511124 255.1614 2.166946 255.6435 2.491745 256.1256 3.772217 256.6077 5.304657 257.0898 5.710861 257.5720 4.294907 258.0541 3.332825 258.5362 3.004883 259.0183 3.201752 259.5004 4.083099 259.9825 5.693329 260.4647 7.497223 260.9468 8.328445 261.4289 7.121628 261.9110 7.067062 262.3931 9.095184 262.8752 11.71159 263.3574 13.97456 263.8395 15.56621 264.3216 16.45290 264.8037 16.52228 265.2858 15.33723 265.7679 14.16286 266.2501 13.23470 266.7322 12.18178 267.2143 10.66928 267.6964 8.686295 268.1785 6.531372 268.6606 4.545090 269.1428 2.527100 269.6249 1.312424 270.1070 1.591293 270.5891 1.970276 271.0712 1.367218 271.5533 0.1640630 272.0355 1.584335 272.5176 1.629471 272.9997 0.2634280 273.4818 1.073273 273.9639 1.2878000E-02 274.4460 1.247040 274.9282 1.681961 275.4103 1.361969 275.8924 0.8818820 276.3745 0.7683410 276.8566 1.055176 277.3387 1.402115 277.8208 2.140228 278.3029 2.613724 278.7851 2.212021 279.2672 1.236206 279.7493 0.6332700 280.2314 1.196381 280.7135 2.860229 281.1956 3.610794 281.6778 2.872803 282.1599 2.031342 282.6420 1.565308 283.1241 1.358765 283.6062 1.060486 284.0883 0.4332580 284.5705 0.4197240 285.0526 0.8514710 285.5347 0.2259520 286.0168 2.0888999E-02 286.4989 0.6205750 286.9810 1.840546 287.4632 3.131241 287.9453 4.265991 288.4274 5.296097 288.9095 6.391220 289.3916 7.723648 289.8737 8.858429 290.3559 9.394196 290.8380 9.784515 291.3201 10.78624 291.8022 12.69609 292.2843 14.87491 292.7664 16.12473 293.2486 15.90051 293.7307 16.04550 294.2128 16.96294 294.6949 18.23137 295.1770 19.49190 295.6591 20.66086 296.1413 21.61829 296.6234 22.13966 297.1055 22.03700 297.5876 22.29620 298.0697 23.35493 298.5518 24.53706 299.0340 25.19786 299.5161 25.28195 299.9982 25.24869 300.4803 25.46330 300.9624 25.95973 301.4445 26.80812 301.9267 28.15457 302.4088 29.71448 302.8909 31.40697 303.3730 33.18532 303.8551 34.88120 304.3372 36.31236 304.8194 37.55469 305.3015 39.24350 305.7836 41.70081 306.2657 44.24052 306.7478 46.46817 307.2299 48.50072 307.7121 50.70438 308.1942 53.26802 308.6763 56.13651 309.1584 59.12656 309.6405 62.66144 310.1227 65.68620 310.6048 67.67587 311.0869 68.94086 311.5690 70.12744 312.0511 71.54636 312.5332 72.73605 313.0154 72.76126 313.4975 71.74037 313.9796 69.59299 314.4617 65.43723 314.9438 60.46521 315.4259 56.16214 315.9081 52.90532 316.3902 50.19345 316.8723 47.41412 317.3544 44.50952 317.8365 41.92856 318.3186 39.64975 318.8007 37.74699 319.2828 36.23157 319.7650 35.11383 320.2471 34.55351 320.7292 34.74628 321.2113 35.74484 321.6934 36.93088 322.1755 38.24599 322.6577 39.79385 323.1398 41.92270 323.6219 44.44101 324.1040 46.53772 324.5861 47.59209 325.0682 47.85823 325.5504 48.63206 326.0325 50.52251 326.5146 52.16530 326.9967 52.92371 327.4788 53.09735 327.9609 53.19331 328.4431 53.33382 328.9252 53.77029 329.4073 55.19461 329.8894 57.87267 330.3715 60.66496 330.8536 63.32681 331.3358 66.01645 331.8179 68.91315 332.3000 72.01752 332.7821 75.58521 333.2642 80.08705 333.7463 85.87442 334.2285 91.36758 334.7106 96.12048 335.1927 100.7678 335.6748 106.1284 336.1569 112.1217 336.6390 117.6668 337.1212 121.6037 337.6033 123.8341 338.0854 126.9480 338.5675 131.2555 339.0496 135.9891 339.5317 140.6586 340.0139 145.4886 340.4960 151.1408 340.9781 158.0783 341.4602 166.0576 341.9423 173.8276 342.4244 180.8198 342.9066 188.2591 343.3887 196.4477 343.8708 205.2319 344.3529 214.1855 344.8350 223.0903 345.3171 232.5089 345.7993 243.4923 346.2814 256.8311 346.7635 270.6454 347.2456 284.4209 347.7277 298.8779 348.2098 315.0305 348.6920 332.7661 349.1741 351.0281 349.6562 368.4315 350.1383 384.9788 350.6204 400.3935 351.1025 415.9487 351.5847 429.4330 352.0668 439.9851 352.5489 447.4426 353.0310 451.6790 353.5131 452.4563 353.9952 449.9484 354.4774 445.6801 354.9595 438.4906 355.4416 430.8776 355.9237 422.6440 356.4058 414.4480 356.8879 406.9106 357.3701 400.3229 357.8522 394.8465 358.3343 390.7776 358.8164 388.0034 359.2985 387.1793 359.7806 388.4500 360.2627 391.3820 360.7448 395.7124 361.2270 401.3755 361.7091 408.2969 362.1912 416.3416 362.6733 425.3365 363.1554 436.2622 363.6375 449.5088 364.1197 464.2650 364.6018 481.0935 365.0839 499.2341 365.5660 516.8835 366.0481 532.8068 366.5302 547.1395 367.0124 561.0427 367.4945 576.6393 367.9766 588.7095 368.4587 597.3249 368.9408 601.6324 369.4229 600.7435 369.9051 594.3064 370.3872 582.4265 370.8693 564.7820 371.3514 540.2201 371.8335 512.5790 372.3156 480.2133 372.7978 446.7238 373.2799 413.2347 373.7620 380.3507 374.2441 348.4885 374.7262 317.8502 375.2083 288.4125 375.6905 262.0572 376.1726 239.5982 376.6547 219.6482 377.1368 201.7889 377.6189 185.7578 378.1010 171.2679 378.5832 158.0109 379.0653 146.1806 379.5474 136.4628 380.0295 129.5239 380.5116 122.9829 380.9937 115.3589 381.4759 107.9531 381.9580 102.2839 382.4401 98.88370 382.9222 96.19931 383.4043 92.58411 383.8864 88.04076 384.3686 83.66214 384.8507 79.67752 385.3328 75.95067 385.8149 72.50027 386.2970 69.27776 386.7791 65.68860 387.2613 61.19339 387.7434 56.15688 388.2255 51.44279 388.7076 47.20799 389.1897 42.99109 389.6718 37.97350 390.1540 32.76132 390.6361 28.67685 391.1182 26.33438 391.6003 24.84355 392.0824 23.76671 392.5645 23.01212 393.0467 21.68893 393.5288 19.07027 394.0109 16.04753 394.4930 14.36215 394.9751 14.36649 395.4572 14.18167 395.9394 12.77545 396.4215 10.78827 396.9036 9.365295 397.3857 8.765320 397.8678 8.363815 398.3499 7.435226 398.8321 5.938431 399.3142 4.846710 399.7963 4.514603 400.2784 4.329834 400.7605 3.744720 401.2426 2.873245 401.7247 2.350327 402.2068 2.663269 402.6890 3.510513 403.1711 3.513565 403.6532 1.623627 404.1353 0.3294220 404.6174 0.6515960 405.0995 1.576721 405.5817 1.759033 406.0638 0.8276210 406.5459 0.4785920 407.0280 1.123734 407.5101 0.8838350 407.9922 0.6308900 408.4744 0.2374570 408.9565 6.0104001E-02 409.4386 0.1343540 409.9207 2.6550000E-03 410.4028 0.2964320 410.8849 0.7352290 411.3671 1.281204 411.8492 1.659027 412.3313 1.823349 412.8134 1.854446 413.2955 1.742249 413.7776 1.516907 414.2598 1.142212 414.7419 0.6230930 415.2240 0.1372530 415.7061 1.9791000E-02 416.1882 0.2494960 416.6703 0.5091250 417.1525 0.7172550 417.6346 0.9310760 418.1167 1.307312 418.5988 1.736282 419.0809 1.859802 419.5630 1.239227 420.0452 0.1522830 420.5273 0.1242370 421.0094 0.8605650 421.4915 1.705582 421.9736 1.800888 422.4557 1.512405 422.9379 1.174026 423.4200 0.8552550 423.9021 0.6098180 424.3842 0.6792140 424.8663 1.030670 425.3484 0.7325900 425.8306 0.9939120 426.3127 2.662079 426.7948 2.779541 427.2769 1.564224 427.7590 0.4184270 428.2411 0.1363980 428.7233 0.1878360 429.2054 0.4456480 429.6875 1.879196 430.1696 2.840836 430.6517 2.330612 431.1339 0.8076170 431.6160 0.1956330 432.0981 0.4574430 432.5802 0.5475920 433.0623 0.7576450 433.5444 0.9986880 434.0266 1.022064 434.5087 0.7216640 434.9908 0.3970490 435.4729 0.4527280 435.9550 0.9636230 436.4371 1.598343 436.9193 2.638931 437.4014 3.565674 437.8835 3.925430 438.3656 3.808304 438.8477 3.640717 439.3298 3.701859 439.8120 3.941833 440.2941 4.091125 440.7762 3.982452 441.2583 3.990906 441.7404 4.143600 442.2225 4.435532 442.7046 4.958481 443.1867 5.689163 443.6689 6.356003 444.1510 6.519867 444.6331 5.962570 445.1152 6.004822 445.5973 7.368240 446.0794 8.619781 446.5616 9.322449 447.0437 9.533585 447.5258 9.375290 448.0079 8.841415 448.4900 8.173340 448.9721 7.969025 449.4543 8.306244 449.9364 8.890457 450.4185 9.964996 450.9006 11.05681 451.3827 11.85760 451.8648 12.32959 452.3470 12.58360 452.8291 12.70453 453.3112 12.67979 453.7933 12.43701 454.2754 11.94524 454.7575 11.29982 455.2397 10.58951 455.7218 9.763763 456.2039 8.662262 456.6860 7.009949 457.1681 5.422485 457.6502 4.341339 458.1324 3.750137 458.6145 3.661423 459.0966 4.263809 459.5787 5.009476 460.0608 5.046127 460.5429 4.364975 461.0251 3.535126 461.5072 2.372070 461.9893 1.299454 462.4714 0.7833250 462.9535 0.7816620 463.4356 0.8508910 463.9178 0.6756900 464.3999 0.2958530 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