#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:03 +0300 (Thu, 24 May 2018) $ #$Revision: 898 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000376.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_1000376 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 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 R060358.rod _rod_data_source.block 3500000 _rod_database.code 1000376 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 95.09875 0.0000000E+00 95.58087 0.5893920 96.06299 0.9293980 96.54510 0.6738870 97.02721 0.5530910 97.50933 0.7439170 97.99145 1.048180 98.47356 1.417046 98.95568 1.911118 99.43780 1.553049 99.91991 1.206604 100.4020 1.039181 100.8841 0.8836380 101.3663 0.5561140 101.8484 0.1084790 102.3305 0.1880800 102.8126 5.0709002E-02 103.2947 0.5668700 103.7768 1.067255 104.2590 1.483637 104.7411 1.849319 105.2232 2.129543 105.7053 2.313686 106.1874 2.473192 106.6695 2.660959 107.1517 2.801674 107.6338 2.849920 108.1159 2.865519 108.5980 2.598425 109.0801 2.245752 109.5622 1.697495 110.0444 1.237572 110.5265 1.209330 111.0086 1.601635 111.4907 2.020660 111.9728 2.057581 112.4549 1.585707 112.9371 1.123575 113.4192 0.7069660 113.9013 0.3737960 114.3834 0.2209150 114.8655 0.2078420 115.3476 0.2518420 115.8298 0.2477720 116.3119 0.1239590 116.7940 2.6232000E-02 117.2761 5.8566999E-02 117.7582 0.1001970 118.2403 5.6719001E-02 118.7225 0.1226370 119.2046 0.4295220 119.6867 0.5086650 120.1688 6.8428002E-02 120.6509 0.2750570 121.1330 0.2145900 121.6152 0.1404210 122.0973 0.5093360 122.5794 0.6712840 123.0615 0.6242690 123.5436 0.6233330 124.0257 0.7746830 124.5079 0.9136770 124.9900 0.8208600 125.4721 0.4374080 125.9542 8.4431000E-02 126.4363 0.1522710 126.9184 0.4926300 127.4006 0.7797410 127.8827 0.8403640 128.3648 0.7477300 128.8469 0.7345710 129.3290 0.8873710 129.8111 1.024124 130.2932 1.029165 130.7754 0.9246580 131.2575 0.7922230 131.7396 0.7142240 132.2217 0.7055800 132.7038 0.6166130 133.1859 0.1879370 133.6681 0.1279620 134.1502 2.7147001E-02 134.6323 0.4683400 135.1144 1.043797 135.5965 1.266571 136.0786 0.9001430 136.5608 0.6412620 137.0429 0.5132200 137.5250 0.4552760 138.0071 0.4406970 138.4892 0.4563410 138.9713 0.4819790 139.4535 0.4743420 139.9356 0.3727760 140.4177 0.3342020 140.8998 0.4469780 141.3819 0.6093520 141.8640 0.6688310 142.3462 0.5372430 142.8283 0.2921820 143.3104 0.1775060 143.7925 0.2236460 144.2746 0.3290570 144.7567 0.5089190 145.2388 0.7308370 145.7210 0.8451120 146.2031 0.6791400 146.6852 0.4606180 147.1673 0.5838420 147.6494 1.181205 148.1315 1.921035 148.6137 2.395834 149.0958 2.499632 149.5779 2.754842 150.0600 3.412251 150.5421 4.265855 151.0242 5.239808 151.5064 6.351149 151.9885 7.479731 152.4706 8.362835 152.9527 9.029025 153.4348 9.538339 153.9169 9.986983 154.3991 10.32977 154.8812 10.49249 155.3633 10.40915 155.8454 10.12899 156.3275 9.936448 156.8096 9.781480 157.2918 9.792735 157.7739 10.04105 158.2560 10.47155 158.7381 10.98244 159.2202 11.49030 159.7023 11.98664 160.1845 12.66203 160.6666 13.89778 161.1487 14.97748 161.6308 15.46283 162.1129 15.48328 162.5950 15.52186 163.0772 15.99477 163.5593 16.96644 164.0414 18.03900 164.5235 19.16816 165.0056 20.41331 165.4877 21.82232 165.9698 23.39838 166.4520 25.05108 166.9341 26.50274 167.4162 27.78040 167.8983 30.05795 168.3804 33.18367 168.8625 37.50504 169.3447 43.42548 169.8268 50.99572 170.3089 60.14780 170.7910 71.85847 171.2731 85.38935 171.7552 98.15927 172.2374 111.9308 172.7195 124.3544 173.2016 128.3156 173.6837 120.8436 174.1658 107.2678 174.6479 89.93026 175.1301 69.98077 175.6122 51.70819 176.0943 38.29090 176.5764 29.56899 177.0585 22.54493 177.5406 17.84521 178.0228 14.29489 178.5049 11.53662 178.9870 9.470692 179.4691 7.931341 179.9512 6.814297 180.4333 6.200300 180.9155 5.627439 181.3976 5.090353 181.8797 4.598339 182.3618 4.174624 182.8439 3.809685 183.3260 3.465590 183.8082 3.083701 184.2903 2.597818 184.7724 2.281786 185.2545 2.215017 185.7366 2.218043 186.2187 2.217689 186.7009 2.183735 187.1830 2.081902 187.6651 1.850669 188.1472 1.363794 188.6293 1.012391 189.1114 0.8487800 189.5936 0.7857000 190.0757 0.7774210 190.5578 0.8075180 191.0399 0.8299410 191.5220 0.7642560 192.0041 0.5751570 192.4863 0.4363500 192.9684 0.3811860 193.4505 0.3774890 193.9326 0.3969580 194.4147 0.4405100 194.8968 0.4764820 195.3790 0.4417670 195.8611 0.3366010 196.3432 0.2083940 196.8253 3.6915001E-02 197.3074 0.1453750 197.7895 0.2737970 198.2717 0.3295160 198.7538 0.3217520 199.2359 0.2386670 199.7180 7.5939000E-02 200.2001 3.5619002E-02 200.6822 2.8192000E-02 201.1644 0.2220510 201.6465 0.3147290 202.1286 0.1820910 202.6107 1.1353000E-02 203.0928 3.1740000E-03 203.5749 0.1376330 204.0571 0.2709680 204.5392 0.2483010 205.0213 6.9262996E-02 205.5034 7.6146998E-02 205.9855 0.1095390 206.4676 0.1340470 206.9497 0.2099970 207.4319 0.3406100 207.9140 0.4967190 208.3961 0.6525510 208.8782 0.8105750 209.3603 0.9531000 209.8424 1.062908 210.3246 1.168139 210.8067 1.239553 211.2888 1.323483 211.7709 1.500420 212.2530 1.867244 212.7351 2.427291 213.2173 3.111642 213.6994 3.946862 214.1815 4.891645 214.6636 5.997465 215.1457 7.220678 215.6278 8.416704 216.1100 9.424706 216.5921 10.26358 217.0742 10.82601 217.5563 10.97809 218.0384 11.03144 218.5205 11.14537 219.0027 11.35495 219.4848 11.62669 219.9669 11.90438 220.4490 12.08882 220.9311 12.54049 221.4132 13.44118 221.8954 14.46008 222.3775 15.36464 222.8596 16.11411 223.3417 16.80714 223.8238 17.54622 224.3059 18.30074 224.7881 19.19920 225.2702 20.18799 225.7523 21.36842 226.2344 22.85864 226.7165 24.67469 227.1986 26.66264 227.6807 28.65457 228.1629 30.64400 228.6450 32.63939 229.1271 34.35407 229.6092 36.21664 230.0913 38.51496 230.5734 41.28223 231.0556 44.73793 231.5377 48.89669 232.0198 53.73383 232.5019 60.57341 232.9840 70.92897 233.4661 82.84498 233.9483 95.04256 234.4304 107.8630 234.9125 117.8285 235.3946 121.1192 235.8767 118.6303 236.3588 111.8713 236.8410 98.67110 237.3231 82.26170 237.8052 66.85551 238.2873 52.41008 238.7694 39.96851 239.2515 30.81076 239.7337 24.20251 240.2158 19.01759 240.6979 15.29885 241.1800 12.66503 241.6621 10.49065 242.1442 8.800611 242.6264 7.470943 243.1085 6.488895 243.5906 5.778942 244.0727 5.276533 244.5548 5.076303 245.0369 5.017361 245.5191 4.711973 246.0012 4.017090 246.4833 3.414063 246.9654 3.218664 247.4475 3.229589 247.9296 3.190453 248.4117 2.994432 248.8939 2.682177 249.3760 2.311522 249.8581 1.799723 250.3402 1.410341 250.8223 1.298700 251.3044 1.321844 251.7866 1.320938 252.2687 1.221024 252.7508 1.082090 253.2329 1.034859 253.7150 1.084545 254.1971 1.220263 254.6793 1.502638 255.1614 1.814932 255.6435 2.039747 256.1256 2.127666 256.6077 2.160910 257.0898 2.307331 257.5720 2.590231 258.0541 2.964636 258.5362 3.184313 259.0183 3.570015 259.5004 4.417084 259.9825 5.836227 260.4647 7.711807 260.9468 9.822309 261.4289 12.15882 261.9110 14.75967 262.3931 18.17876 262.8752 21.52355 263.3574 24.37923 263.8395 26.53862 264.3216 27.60234 264.8037 26.85501 265.2858 23.53989 265.7679 19.75939 266.2501 14.87985 266.7322 10.09993 267.2143 6.147474 267.6964 3.204308 268.1785 1.113060 268.6606 0.2680070 269.1428 0.6910000 269.6249 0.9761920 270.1070 1.005203 270.5891 1.015850 271.0712 1.179991 271.5533 1.495501 272.0355 1.822660 272.5176 2.003185 272.9997 1.996723 273.4818 2.009333 273.9639 2.014193 274.4460 2.056437 274.9282 2.198874 275.4103 2.414789 275.8924 2.609365 276.3745 2.700859 276.8566 2.686644 277.3387 2.577654 277.8208 2.311129 278.3029 2.033442 278.7851 1.790289 279.2672 1.586521 279.7493 1.428007 280.2314 1.330328 280.7135 1.288763 281.1956 1.134510 281.6778 0.7373750 282.1599 0.3864800 282.6420 0.2587200 283.1241 0.2545380 283.6062 0.1413710 284.0883 0.2289240 284.5705 0.8085590 285.0526 1.300209 285.5347 1.668659 286.0168 2.009188 286.4989 2.175697 286.9810 2.351759 287.4632 2.904633 287.9453 4.042568 288.4274 5.523647 288.9095 6.660229 289.3916 6.954329 289.8737 7.653713 290.3559 9.090639 290.8380 10.99845 291.3201 13.01451 291.8022 15.01314 292.2843 17.08949 292.7664 19.53498 293.2486 22.78980 293.7307 25.31232 294.2128 26.63428 294.6949 27.29767 295.1770 27.90332 295.6591 28.59438 296.1413 29.07412 296.6234 28.93618 297.1055 28.01873 297.5876 27.01602 298.0697 25.92487 298.5518 24.77320 299.0340 23.48010 299.5161 22.07108 299.9982 20.82117 300.4803 19.97342 300.9624 19.58180 301.4445 19.48090 301.9267 19.58978 302.4088 20.04205 302.8909 21.01429 303.3730 22.46107 303.8551 24.08852 304.3372 25.65957 304.8194 27.24533 305.3015 29.33870 305.7836 31.76642 306.2657 34.80980 306.7478 38.67154 307.2299 43.27106 307.7121 48.36902 308.1942 53.83348 308.6763 59.72436 309.1584 66.25631 309.6405 74.24675 310.1227 81.54590 310.6048 88.23724 311.0869 93.68513 311.5690 96.58286 312.0511 96.41637 312.5332 93.56645 313.0154 88.25296 313.4975 79.90041 313.9796 71.37376 314.4617 62.54668 314.9438 54.11011 315.4259 46.83530 315.9081 40.92965 316.3902 36.24808 316.8723 32.71796 317.3544 30.43852 317.8365 28.86960 318.3186 28.04549 318.8007 27.87184 319.2828 28.26403 319.7650 29.21524 320.2471 30.78121 320.7292 33.09015 321.2113 36.18174 321.6934 39.41357 322.1755 43.06828 322.6577 46.63089 323.1398 50.05020 323.6219 53.17838 324.1040 55.58665 324.5861 57.05723 325.0682 57.51983 325.5504 56.75477 326.0325 53.53476 326.5146 50.61988 326.9967 48.80680 327.4788 48.01977 327.9609 48.07943 328.4431 48.90800 328.9252 50.54083 329.4073 53.15982 329.8894 56.67139 330.3715 61.13028 330.8536 66.93303 331.3358 73.55177 331.8179 80.46285 332.3000 87.53125 332.7821 94.56554 333.2642 101.4747 333.7463 108.4566 334.2285 114.2684 334.7106 118.0896 335.1927 121.2346 335.6748 124.5077 336.1569 128.0643 336.6390 132.1165 337.1212 136.8009 337.6033 142.1748 338.0854 148.2134 338.5675 154.8174 339.0496 162.1415 339.5317 170.2659 340.0139 179.2011 340.4960 188.8936 340.9781 199.3289 341.4602 210.4726 341.9423 222.1283 342.4244 233.0902 342.9066 245.8464 343.3887 260.3579 343.8708 277.1376 344.3529 296.6717 344.8350 319.0453 345.3171 344.5515 345.7993 373.5906 346.2814 405.5393 346.7635 443.2848 347.2456 488.1371 347.7277 537.7581 348.2098 591.7043 348.6920 648.9025 349.1741 707.4304 349.6562 765.5648 350.1383 825.9940 350.6204 871.1596 351.1025 906.8107 351.5847 925.0120 352.0668 919.0559 352.5489 891.5504 353.0310 848.4656 353.5131 792.7220 353.9952 725.9535 354.4774 663.8134 354.9595 603.7279 355.4416 551.3347 355.9237 507.8730 356.4058 472.8464 356.8879 445.8146 357.3701 426.6958 357.8522 414.3836 358.3343 406.1866 358.8164 402.6290 359.2985 403.1290 359.7806 408.1429 360.2627 416.4651 360.7448 426.8643 361.2270 439.3146 361.7091 454.7906 362.1912 474.2699 362.6733 497.3209 363.1554 526.7314 363.6375 563.1279 364.1197 604.6573 364.6018 650.2570 365.0839 700.6074 365.5660 756.9708 366.0481 821.0455 366.5302 891.7765 367.0124 961.5101 367.4945 1037.688 367.9766 1102.063 368.4587 1156.269 368.9408 1195.316 369.4229 1213.909 369.9051 1209.802 370.3872 1184.574 370.8693 1138.974 371.3514 1067.594 371.8335 988.9429 372.3156 897.1388 372.7978 805.1218 373.2799 717.8724 373.7620 637.5810 374.2441 565.2062 374.7262 502.6173 375.2083 450.0367 375.6905 403.9615 376.1726 365.7839 376.6547 333.3116 377.1368 305.8571 377.6189 282.9043 378.1010 263.9176 378.5832 248.7927 379.0653 237.1289 379.5474 228.0552 380.0295 222.1908 380.5116 217.3389 380.9937 214.0317 381.4759 210.6617 381.9580 205.9102 382.4401 199.5700 382.9222 191.0649 383.4043 179.2811 383.8864 164.2248 384.3686 148.5908 384.8507 131.9855 385.3328 116.0523 385.8149 101.6353 386.2970 88.85635 386.7791 77.82051 387.2613 69.12060 387.7434 62.26550 388.2255 56.06593 388.7076 50.44751 389.1897 45.56526 389.6718 41.79356 390.1540 38.82170 390.6361 36.11787 391.1182 33.64688 391.6003 31.33770 392.0824 29.06219 392.5645 26.84191 393.0467 24.99046 393.5288 23.77076 394.0109 22.86543 394.4930 21.65664 394.9751 20.05931 395.4572 18.52298 395.9394 17.28435 396.4215 16.20603 396.9036 15.03436 397.3857 13.68884 397.8678 12.41506 398.3499 11.49165 398.8321 10.94700 399.3142 10.36346 399.7963 9.644850 400.2784 8.938538 400.7605 8.323780 401.2426 7.807173 401.7247 7.394032 402.2068 7.102165 402.6890 6.914562 403.1711 6.751167 403.6532 6.770447 404.1353 6.606056 404.6174 6.061363 405.0995 5.347469 405.5817 4.708614 406.0638 4.222082 406.5459 3.837215 407.0280 3.478973 407.5101 3.114420 407.9922 2.912693 408.4744 3.076225 408.9565 3.189396 409.4386 3.006351 409.9207 2.563446 410.4028 2.023312 410.8849 1.473900 411.3671 0.9362930 411.8492 0.5541520 412.3313 0.4604590 412.8134 0.3689170 413.2955 0.1908530 413.7776 1.8702000E-02 414.2598 2.9960000E-03 414.7419 0.1615540 415.2240 0.3439730 415.7061 0.2631150 416.1882 0.1775420 416.6703 0.5480100 417.1525 0.7964080 417.6346 0.9958230 418.1167 1.182219 418.5988 1.349010 419.0809 1.460602 419.5630 1.485069 420.0452 1.437128 420.5273 1.373466 421.0094 1.273178 421.4915 1.201754 421.9736 1.141357 422.4557 1.138418 422.9379 1.271116 423.4200 1.576689 423.9021 1.923185 424.3842 2.186947 424.8663 2.368208 425.3484 2.490927 425.8306 2.578554 426.3127 2.577381 426.7948 2.400640 427.2769 2.078749 427.7590 1.810423 428.2411 1.755131 428.7233 1.771854 429.2054 1.592133 429.6875 1.186516 430.1696 0.8801770 430.6517 0.9248120 431.1339 1.206024 431.6160 1.358204 432.0981 1.390621 432.5802 1.277571 433.0623 0.8855210 433.5444 0.3514420 434.0266 1.7235000E-02 434.5087 0.1139950 434.9908 0.1175270 435.4729 0.2732620 435.9550 0.6300790 436.4371 0.9254420 436.9193 1.120434 437.4014 1.276327 437.8835 1.394955 438.3656 1.503353 438.8477 1.680954 439.3298 1.984961 439.8120 2.394239 440.2941 2.789591 440.7762 3.153727 441.2583 3.526377 441.7404 3.942606 442.2225 4.352068 442.7046 4.646627 443.1867 4.822865 443.6689 5.052282 444.1510 5.552633 444.6331 6.356655 445.1152 7.276566 445.5973 8.364872 446.0794 9.516960 446.5616 10.64128 447.0437 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