#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:20:26 +0300 (Thu, 24 May 2018) $ #$Revision: 654 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000186.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_1000186 loop_ _publ_author_name 'Novak, G. A.' 'Gibbs, G. V.' _publ_section_title ; The crystal chemistry of the silicate garnets sample Al ; _journal_name_full 'American Mineralogist' _journal_page_first 791 _journal_page_last 825 _journal_volume 56 _journal_year 1971 _chemical_compound_source R040076 _chemical_formula_sum 'Al2 Ca0.12 Fe2.58 Mg0.27 O12 Si3' _chemical_name_mineral Almandine _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 11.531 _cell_length_b 11.531 _cell_length_c 11.531 _cell_volume 1533.207 _exptl_crystal_density_diffrn 4.208 _cod_original_formula_sum 'Si3 Al2 Fe2.58 Mg.27 Ca.12 O12' _cod_database_code 9000233 _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 R040076.rod _rod_data_source.block 3500000 _rod_database.code 1000186 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 9000233 COD http://www.crystallography.net/cod/9000233.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 127.8412 0.0000000E+00 128.3233 0.3881840 128.8054 4.0894002E-02 129.2875 14.57031 129.7696 35.29163 130.2518 48.83948 130.7339 61.63159 131.2160 62.51233 131.6981 49.03168 132.1802 23.45380 132.6623 3.657593 133.1445 5.268311 133.6266 3.685669 134.1087 8.457458 134.5908 32.83209 135.0729 63.33868 135.5550 93.47815 136.0372 124.1767 136.5193 146.2394 137.0014 146.8638 137.4835 122.3224 137.9656 124.9736 138.4477 170.5850 138.9299 241.5435 139.4120 273.5999 139.8941 255.5624 140.3762 223.7139 140.8583 205.5521 141.3404 205.3918 141.8226 205.5416 142.3047 202.6146 142.7868 196.5004 143.2689 193.0056 143.7510 195.2687 144.2331 197.5389 144.7152 191.8497 145.1974 172.7833 145.6795 154.1860 146.1616 139.4338 146.6437 128.2382 147.1258 121.6648 147.6079 119.3339 148.0901 121.6185 148.5722 129.7689 149.0543 151.9624 149.5364 172.8577 150.0185 185.6235 150.5006 182.7816 150.9828 180.6715 151.4649 181.5369 151.9470 184.7709 152.4291 183.4551 152.9112 163.8148 153.3933 146.7775 153.8755 146.9618 154.3576 194.3464 154.8397 231.1993 155.3218 242.4714 155.8039 224.2094 156.2860 204.6694 156.7682 184.0083 157.2503 166.1399 157.7324 155.9109 158.2145 163.0338 158.6966 171.4974 159.1787 174.0839 159.6609 166.7515 160.1430 160.5807 160.6251 160.7715 161.1072 164.7896 161.5893 166.7272 162.0714 166.6932 162.5536 162.6403 163.0357 152.9231 163.5178 132.8711 163.9999 111.8884 164.4820 93.99939 164.9641 78.88550 165.4463 65.20593 165.9284 50.35547 166.4105 37.12720 166.8926 28.55322 167.3747 22.24707 167.8568 23.34058 168.3390 33.81311 168.8211 53.26184 169.3032 85.84912 169.7853 160.1921 170.2674 248.1066 170.7495 300.3417 171.2317 261.1877 171.7138 190.7997 172.1959 148.0475 172.6780 141.5026 173.1601 154.5298 173.6422 182.2764 174.1244 220.5868 174.6065 255.2635 175.0886 277.4102 175.5707 291.2141 176.0528 303.6356 176.5349 318.8987 177.0171 329.0132 177.4992 321.2894 177.9813 297.3901 178.4634 271.2053 178.9455 254.1899 179.4276 242.9631 179.9098 229.2477 180.3919 208.1189 180.8740 184.2887 181.3561 163.9092 181.8382 147.0944 182.3203 134.6154 182.8025 131.0031 183.2846 133.8167 183.7667 132.9622 184.2488 120.3956 184.7309 100.7921 185.2130 89.03870 185.6951 86.22314 186.1773 85.80872 186.6594 77.06042 187.1415 60.91150 187.6236 47.34290 188.1057 42.89563 188.5878 46.58472 189.0700 52.03638 189.5521 59.23340 190.0342 65.37231 190.5163 63.32385 190.9984 53.28918 191.4805 44.84338 191.9627 43.68774 192.4448 49.58728 192.9269 62.24805 193.4090 84.84119 193.8911 112.7959 194.3732 130.1542 194.8554 135.2579 195.3375 139.3048 195.8196 155.3313 196.3017 183.5818 196.7838 205.7659 197.2659 213.8695 197.7481 210.9684 198.2302 218.0898 198.7123 237.3921 199.1944 261.1290 199.6765 280.5922 200.1586 296.1637 200.6408 309.5172 201.1229 319.4336 201.6050 326.1464 202.0871 337.2230 202.5692 353.9678 203.0513 373.1313 203.5335 389.4302 204.0156 403.5610 204.4977 417.3109 204.9798 431.8340 205.4619 447.3710 205.9440 461.1864 206.4262 472.9292 206.9083 483.0477 207.3904 493.3242 207.8725 504.1545 208.3546 512.9149 208.8367 517.7836 209.3189 518.6669 209.8010 517.8702 210.2831 515.1167 210.7652 510.8022 211.2473 507.8970 211.7294 506.3401 212.2116 506.4399 212.6937 510.2413 213.1758 521.9839 213.6579 523.5039 214.1400 510.7238 214.6221 484.3612 215.1043 460.8755 215.5864 442.1150 216.0685 425.6573 216.5506 409.0389 217.0327 392.6127 217.5148 374.6667 217.9970 353.6389 218.4791 329.2886 218.9612 308.4615 219.4433 291.7434 219.9254 278.1029 220.4075 267.1975 220.8897 262.0126 221.3718 253.2220 221.8539 235.8068 222.3360 205.1652 222.8181 187.4590 223.3002 189.3783 223.7824 200.2333 224.2645 200.0068 224.7466 182.2610 225.2287 164.5457 225.7108 155.0365 226.1929 156.9764 226.6750 154.4321 227.1572 147.5353 227.6393 137.6423 228.1214 127.8555 228.6035 118.4242 229.0856 108.8684 229.5677 98.30334 230.0499 83.86633 230.5320 75.46533 231.0141 75.66431 231.4962 82.32446 231.9783 87.19263 232.4604 91.46423 232.9426 92.31799 233.4247 86.77283 233.9068 68.42090 234.3889 57.48157 234.8710 59.40747 235.3531 72.10266 235.8353 75.76331 236.3174 65.82251 236.7995 52.07617 237.2816 41.35522 237.7637 33.03101 238.2458 29.19153 238.7280 32.01257 239.2101 41.33838 239.6922 45.94312 240.1743 42.73169 240.6564 37.86511 241.1385 37.73242 241.6207 47.60681 242.1028 52.61621 242.5849 48.18494 243.0670 33.18359 243.5491 23.48438 244.0313 22.84436 244.5134 24.36975 244.9955 19.29688 245.4776 1.711304 245.9597 12.27625 246.4418 18.98804 246.9240 17.95850 247.4061 11.47791 247.8882 4.988525 248.3703 23.59680 248.8524 32.57971 249.3345 28.06482 249.8167 20.51978 250.2988 12.22253 250.7809 2.245850 251.2630 4.677856 251.7451 7.292725 252.2272 7.570923 252.7094 9.431641 253.1915 15.36560 253.6736 18.63440 254.1557 16.16382 254.6378 5.522339 255.1199 3.618896 255.6021 12.34241 256.0842 18.99292 256.5663 18.81360 257.0484 7.349243 257.5305 3.191162 258.0126 6.369873 258.4948 2.635864 258.9769 4.467529 259.4590 6.004517 259.9411 21.96936 260.4232 23.06042 260.9053 0.5964360 261.3875 20.90161 261.8696 28.43945 262.3517 17.72510 262.8338 5.810669 263.3159 8.014771 263.7980 22.13000 264.2802 30.41113 264.7623 31.93640 265.2444 29.66431 265.7265 23.89038 266.2086 12.44885 266.6907 6.536133 267.1729 9.818237 267.6550 18.89575 268.1371 20.39355 268.6192 12.61584 269.1013 1.062134 269.5834 14.11792 270.0656 36.92163 270.5477 42.00439 271.0298 17.83398 271.5119 25.13525 271.9940 39.00305 272.4761 14.76477 272.9583 15.93713 273.4404 28.52832 273.9225 19.27991 274.4046 12.62402 274.8867 13.45178 275.3688 19.50598 275.8510 19.79504 276.3331 12.80957 276.8152 4.608154 277.2973 0.4975590 277.7794 0.9313960 278.2615 0.9322510 278.7437 1.203247 279.2258 4.402222 279.7079 3.328125 280.1900 2.709351 280.6721 10.36902 281.1542 19.66028 281.6364 31.08887 282.1185 30.84314 282.6006 8.921753 283.0827 25.58887 283.5648 31.24634 284.0469 3.434082 284.5291 29.24719 285.0112 31.63232 285.4933 5.205444 285.9754 1.370605 286.4575 46.69678 286.9396 120.7789 287.4217 147.4302 287.9038 122.0118 288.3860 82.51074 288.8681 65.09192 289.3502 67.73145 289.8323 70.85938 290.3144 68.42786 290.7965 62.71179 291.2787 61.07141 291.7608 63.94055 292.2429 65.95935 292.7250 58.70801 293.2071 44.76538 293.6892 37.17358 294.1714 43.07458 294.6535 56.82568 295.1356 66.63062 295.6177 72.45544 296.0998 76.39453 296.5819 79.95959 297.0641 83.25586 297.5462 86.41626 298.0283 88.16882 298.5104 90.51086 298.9925 97.25903 299.4746 108.4775 299.9568 121.4346 300.4389 135.3051 300.9210 149.1670 301.4031 161.2126 301.8852 169.0095 302.3673 175.4684 302.8495 185.8149 303.3316 199.4542 303.8137 210.1992 304.2958 209.7794 304.7779 204.2552 305.2600 203.9075 305.7422 212.5438 306.2243 228.0483 306.7064 253.7362 307.1885 289.0396 307.6706 318.0671 308.1527 323.5067 308.6349 316.9371 309.1170 314.5430 309.5991 309.1566 310.0812 320.1816 310.5633 379.3812 311.0454 483.0151 311.5276 563.2378 312.0097 558.2355 312.4918 515.9673 312.9739 489.2072 313.4560 512.4408 313.9381 542.4346 314.4203 552.3827 314.9024 544.1769 315.3845 541.3900 315.8666 561.6045 316.3487 590.9216 316.8308 615.1863 317.3130 627.7633 317.7951 635.4420 318.2772 639.5298 318.7593 641.8545 319.2414 646.5062 319.7235 661.7478 320.2057 676.3147 320.6878 681.2930 321.1699 660.0829 321.6520 642.5691 322.1341 637.6750 322.6162 644.9016 323.0984 655.0012 323.5805 662.6125 324.0626 675.2413 324.5447 697.4583 325.0268 742.0638 325.5089 781.6289 325.9911 810.4664 326.4732 829.9832 326.9553 853.1708 327.4374 880.5447 327.9195 910.8689 328.4016 943.6641 328.8838 977.4478 329.3659 1014.136 329.8480 1054.814 330.3301 1101.241 330.8122 1151.280 331.2943 1203.922 331.7765 1260.134 332.2586 1320.581 332.7407 1386.674 333.2228 1454.972 333.7049 1528.109 334.1870 1603.763 334.6692 1671.296 335.1513 1721.980 335.6334 1779.665 336.1155 1860.176 336.5976 1974.893 337.0797 2077.663 337.5619 2162.802 338.0440 2235.524 338.5261 2306.137 339.0082 2371.801 339.4903 2443.005 339.9724 2523.338 340.4546 2613.124 340.9367 2715.759 341.4188 2837.449 341.9009 2969.121 342.3830 3084.663 342.8651 3180.957 343.3473 3286.078 343.8294 3416.340 344.3115 3571.183 344.7936 3722.847 345.2757 3865.943 345.7578 4018.826 346.2400 4232.781 346.7221 4500.677 347.2042 4745.482 347.6863 4901.982 348.1684 5003.052 348.6505 5160.824 349.1327 5386.609 349.6148 5645.553 350.0969 5909.915 350.5790 6175.963 351.0611 6429.838 351.5432 6675.983 352.0254 6900.964 352.5075 7085.865 352.9896 7227.968 353.4717 7337.846 353.9538 7431.221 354.4359 7499.085 354.9181 7520.411 355.4002 7467.246 355.8823 7375.805 356.3644 7295.325 356.8465 7227.166 357.3286 7099.192 357.8108 6819.262 358.2929 6463.446 358.7750 6125.998 359.2571 5853.935 359.7392 5598.799 360.2213 5331.388 360.7035 5053.286 361.1856 4791.938 361.6677 4562.811 362.1498 4354.594 362.6319 4154.729 363.1140 3952.126 363.5962 3765.125 364.0783 3600.228 364.5604 3456.477 365.0425 3327.554 365.5246 3213.440 366.0067 3110.734 366.4889 3017.539 366.9710 2938.357 367.4531 2864.981 367.9352 2794.587 368.4173 2728.391 368.8994 2674.490 369.3815 2651.937 369.8636 2627.425 370.3458 2586.834 370.8279 2517.561 371.3100 2454.150 371.7921 2395.250 372.2742 2340.747 372.7563 2292.618 373.2385 2258.136 373.7206 2221.336 374.2027 2173.859 374.6848 2110.184 375.1669 2057.720 375.6490 2020.753 376.1312 1990.337 376.6133 1951.065 377.0954 1901.649 377.5775 1849.173 378.0596 1795.638 378.5417 1741.577 379.0239 1680.897 379.5060 1612.986 379.9881 1542.868 380.4702 1476.754 380.9523 1414.125 381.4344 1356.723 381.9166 1308.349 382.3987 1264.993 382.8808 1210.050 383.3629 1143.572 383.8450 1077.633 384.3271 1025.111 384.8093 981.7368 385.2914 937.6155 385.7735 888.1670 386.2556 839.2602 386.7377 802.7068 387.2198 777.4899 387.7020 751.9082 388.1841 714.0449 388.6662 671.2119 389.1483 634.0345 389.6304 608.9428 390.1125 585.7068 390.5947 552.4111 391.0768 512.1996 391.5589 477.9819 392.0410 463.6239 392.5231 453.8883 393.0052 437.4562 393.4874 410.3298 393.9695 381.2655 394.4516 347.8362 394.9337 314.7929 395.4158 291.0183 395.8979 292.3107 396.3801 291.7064 396.8622 275.2178 397.3443 233.8708 397.8264 206.4113 398.3085 208.1438 398.7906 220.6583 399.2728 224.0809 399.7549 214.8049 400.2370 199.9810 400.7191 177.9211 401.2012 147.6031 401.6833 125.8328 402.1655 116.3906 402.6476 112.0411 403.1297 106.1621 403.6118 95.78705 404.0939 92.05225 404.5760 101.2136 405.0582 118.7568 405.5403 116.8441 406.0224 89.16357 406.5045 60.49438 406.9866 49.17822 407.4688 56.16718 407.9509 63.63690 408.4330 70.62384 408.9151 75.96906 409.3972 77.42291 409.8793 74.96051 410.3615 68.99341 410.8436 56.17267 411.3257 39.54822 411.8078 30.45996 412.2899 30.39392 412.7720 34.07458 413.2542 37.72552 413.7363 40.44086 414.2184 39.47998 414.7005 30.94281 415.1826 19.40692 415.6647 8.428284 416.1469 1.843689 416.6290 7.011963 417.1111 1.883728 417.5932 16.31165 418.0753 24.89661 418.5574 19.28705 419.0396 11.01044 419.5217 4.429138 420.0038 0.2396240 420.4859 2.149780 420.9680 4.836670 421.4501 11.23608 421.9323 9.931946 422.4144 12.54028 422.8965 25.97528 423.3786 17.26666 423.8607 5.081421 424.3428 16.64856 424.8250 1.361694 425.3071 12.27081 425.7892 12.74255 426.2713 9.050537 426.7534 19.30347 427.2355 13.39099 427.7177 1.185364 428.1998 14.60516 428.6819 29.42511 429.1640 37.06006 429.6461 32.02594 430.1282 14.82214 430.6104 8.654907 431.0925 16.54224 431.5746 27.81244 432.0567 31.77588 432.5388 28.26855 433.0209 23.60046 433.5031 18.36285 433.9852 13.36499 434.4673 11.58289 434.9494 12.90906 435.4315 12.91321 435.9136 7.839783 436.3958 1.021057 436.8779 11.95880 437.3600 26.81293 437.8421 37.47681 438.3242 30.68134 438.8063 11.68487 439.2885 4.789978 439.7706 8.210388 440.2527 7.390015 440.7348 11.68030 441.2169 22.61877 441.6990 30.01868 442.1812 25.24823 442.6633 14.77722 443.1454 6.265503 443.6275 1.208557 444.1096 0.6108400 444.5917 3.204712 445.0739 11.99121 445.5560 16.62976 446.0381 10.85553 446.5202 3.418274 447.0023 0.5260010 447.4844 5.842041 447.9666 7.134521 448.4487 1.253845 448.9308 14.48193 449.4129 18.88593 449.8950 9.705444 450.3771 0.5573730 450.8593 7.514771 451.3413 10.97809 451.8235 11.87237 452.3056 10.04266 452.7877 5.876770 453.2698 2.602356 453.7519 16.32617 454.2340 22.28290 454.7162 11.29248 455.1983 9.185730 455.6804 10.89001 456.1625 6.996216 456.6446 29.85345 457.1267 49.64777 457.6089 64.83929 458.0910 70.87628 458.5731 63.05176 459.0552 52.46429 459.5373 52.79358 460.0194 61.61951 460.5016 70.98901 460.9837 76.51764 461.4658 80.42218 461.9479 85.94788 462.4300 94.65552 462.9121 98.24994 463.3943 85.79541 463.8764 67.57245 464.3585 57.04889 464.8406 64.74060 465.3227 74.34198 465.8048 79.18738 466.2870 79.17889 466.7691 84.87842 467.2512 108.0127 467.7333 129.9373 468.2154 138.4689 468.6975 116.2700 469.1797 109.6267 469.6618 128.3107 470.1439 161.6339 470.6260 181.0330 471.1081 182.5347 471.5902 179.5560 472.0724 174.6060 472.5545 166.8135 473.0366 173.3693 473.5187 197.2258 474.0008 226.7224 474.4829 249.4415 474.9651 266.1887 475.4472 276.8422 475.9293 276.9730 476.4114 274.0455 476.8935 284.8988 477.3756 308.5446 477.8578 334.3419 478.3399 353.8945 478.8220 371.1760 479.3041 391.8456 479.7862 418.2682 480.2683 443.8867 480.7505 463.7717 481.2326 481.2839 481.7147 501.3840 482.1968 531.3927 482.6789 557.6781 483.1610 573.2416 483.6432 578.1893 484.1253 575.9730 484.6074 561.4964 485.0895 541.3047 485.5716 520.7350 486.0537 498.7534 486.5359 477.2346 487.0180 458.1724 487.5001 441.1841 487.9822 420.6973 488.4643 391.8313 488.9464 365.0864 489.4286 345.7267 489.9107 335.2841 490.3928 328.6221 490.8749 326.4757 491.3570 327.0334 491.8391 327.1031 492.3213 326.4932 492.8034 328.1887 493.2855 331.6187 493.7676 339.1721 494.2497 357.6948 494.7318 386.7297 495.2140 420.7266 495.6961 454.9310 496.1782 491.0585 496.6603 530.8358 497.1424 575.6213 497.6245 622.2147 498.1067 662.5577 498.5888 702.6102 499.0709 756.5977 499.5530 838.1992 500.0351 931.0645 500.5172 1034.693 500.9994 1150.920 501.4815 1246.569 501.9636 1298.195 502.4457 1333.941 502.9278 1379.250 503.4099 1457.454 503.8921 1520.769 504.3742 1571.213 504.8563 1604.547 505.3384 1601.657 505.8205 1556.023 506.3026 1488.667 506.7848 1405.861 507.2669 1304.290 507.7490 1202.222 508.2311 1097.283 508.7132 995.8886 509.1953 907.2727 509.6775 830.8765 510.1596 753.8804 510.6417 667.1150 511.1238 581.6592 511.6059 520.7755 512.0880 482.5828 512.5701 452.1171 513.0522 418.6616 513.5344 385.9265 514.0165 358.9175 514.4986 338.2615 514.9807 319.9700 515.4628 305.8332 515.9449 291.7959 516.4271 271.2354 516.9092 224.7886 517.3913 187.4368 517.8734 179.1538 518.3555 202.0232 518.8376 212.0295 519.3198 190.8252 519.8019 164.9354 520.2840 150.4510 520.7661 154.6320 521.2482 155.8358 521.7303 150.6812 522.2125 143.4234 522.6946 145.0780 523.1767 158.2310 523.6588 169.3423 524.1409 172.5847 524.6230 168.7845 525.1052 163.4937 525.5873 156.3282 526.0694 150.7073 526.5515 150.2420 527.0336 154.0434 527.5157 160.6486 527.9979 172.5056 528.4800 181.8046 528.9621 176.7565 529.4442 161.6346 529.9263 148.9200 530.4084 147.7136 530.8906 149.4306 531.3727 147.0851 531.8548 139.1067 532.3369 135.3102 532.8190 144.5869 533.3011 156.7323 533.7833 162.3147 534.2654 150.0420 534.7475 143.2924 535.2296 143.8653 535.7117 151.4897 536.1938 166.1249 536.6760 192.7950 537.1581 216.9101 537.6402 230.4950 538.1223 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