#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:43:01 +0300 (Thu, 07 Jun 2018) $ #$Revision: 950 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000418.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_1000418 loop_ _publ_author_name 'Geiger, C. A.' 'Armbruster, T.' 'Khomenko, V.' 'Quartieri, S.' _publ_section_title ; Cordierite I: The coordination of Fe2+ Sample: DA-1 ; _journal_name_full 'American Mineralogist' _journal_page_first 1255 _journal_page_last 1264 _journal_volume 85 _journal_year 2000 _chemical_compound_source R100141 _chemical_formula_sum 'Al4 Fe0.14 Mg1.86 Na0.09 O18.58 Si5' _chemical_name_mineral Cordierite _space_group_IT_number 66 _symmetry_space_group_name_Hall '-C 2 2c' _symmetry_space_group_name_H-M 'C c c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 17.072 _cell_length_b 9.727 _cell_length_c 9.351 _cell_volume 1552.821 _exptl_crystal_density_diffrn 2.570 _cod_original_formula_sum 'Si5 Al4 (Mg1.86 Fe.14) Na.09 O18.58' _cod_database_code 9002408 _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 R100141.rod _rod_data_source.block 3500000 _rod_database.code 1000418 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 9002408 COD http://www.crystallography.net/cod/9002408.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 167.2097 0.0000000E+00 167.6918 0.3308720 168.1739 1.961121 168.6560 3.547981 169.1381 4.088326 169.6203 4.147614 170.1024 3.766876 170.5845 3.602737 171.0666 3.815346 171.5487 4.373672 172.0309 5.220039 172.5130 6.031502 172.9951 6.765106 173.4772 7.302010 173.9593 7.450912 174.4414 6.784294 174.9236 5.953674 175.4057 5.643234 175.8878 5.659851 176.3699 5.646065 176.8520 5.205688 177.3341 4.426315 177.8163 3.492188 178.2984 2.233643 178.7805 0.9618680 179.2626 0.2049180 179.7447 2.3360999E-02 180.2268 8.8257000E-02 180.7090 0.1437450 181.1911 0.1640170 181.6732 0.1378780 182.1553 4.9598999E-02 182.6374 9.8488003E-02 183.1195 0.1230550 183.6017 3.4720998E-02 184.0838 0.3952260 184.5659 1.122704 185.0480 2.134888 185.5301 3.045326 186.0123 3.786629 186.4944 4.293854 186.9765 4.185699 187.4586 3.319458 187.9407 2.324768 188.4228 2.174065 188.9050 2.791351 189.3871 3.401375 189.8692 3.634590 190.3513 3.637741 190.8334 3.724648 191.3155 3.988113 191.7977 4.418266 192.2798 5.239090 192.7619 6.363243 193.2440 7.064758 193.7261 6.763489 194.2082 5.485764 194.6904 4.503708 195.1725 4.154526 195.6546 4.100998 196.1367 3.633263 196.6188 2.701714 197.1009 1.991455 197.5831 2.023964 198.0652 2.794975 198.5473 3.245071 199.0294 3.254028 199.5115 3.003479 199.9937 2.826851 200.4758 2.719963 200.9579 2.704201 201.4400 2.846161 201.9221 3.165894 202.4042 3.335838 202.8864 3.300774 203.3685 3.142067 203.8506 3.024612 204.3327 2.932808 204.8148 2.940117 205.2969 3.116669 205.7791 3.489494 206.2612 3.815331 206.7433 4.035179 207.2254 4.233337 207.7075 4.736679 208.1896 5.747177 208.6718 6.481071 209.1539 6.449677 209.6360 5.513336 210.1181 4.513748 210.6002 3.434990 211.0823 2.354782 211.5645 1.497269 212.0466 0.8941420 212.5287 0.4377980 213.0108 0.1093900 213.4929 3.2425001E-02 213.9750 0.2882540 214.4572 0.7297740 214.9393 1.271667 215.4214 1.678955 215.9035 1.944466 216.3856 2.093491 216.8678 2.125999 217.3499 2.016190 217.8320 1.880959 218.3141 1.726616 218.7962 1.555237 219.2783 1.383904 219.7605 1.257835 220.2426 1.061760 220.7247 0.7448810 221.2068 0.3182910 221.6889 0.2776410 222.1710 1.167969 222.6532 2.200737 223.1353 2.810448 223.6174 2.719994 224.0995 2.687759 224.5816 3.148491 225.0637 4.441795 225.5459 5.444771 226.0280 5.953842 226.5101 6.189926 226.9922 6.821594 227.4743 8.010979 227.9564 9.346016 228.4386 10.67019 228.9207 11.99759 229.4028 13.19484 229.8849 14.12405 230.3670 14.95510 230.8492 16.23319 231.3313 18.16922 231.8134 20.21074 232.2955 22.04058 232.7776 23.13637 233.2597 25.19138 233.7419 28.44867 234.2240 32.61603 234.7061 36.81927 235.1882 40.82791 235.6703 45.20599 236.1524 50.27203 236.6346 56.24782 237.1167 62.44983 237.5988 69.32011 238.0809 76.27761 238.5630 82.17253 239.0451 87.30849 239.5273 90.85256 240.0094 92.44096 240.4915 91.85887 240.9736 89.75385 241.4557 85.69221 241.9378 80.30396 242.4200 74.84277 242.9021 69.05045 243.3842 63.48044 243.8663 58.19716 244.3484 52.85165 244.8306 48.90170 245.3127 46.93226 245.7948 46.07826 246.2769 44.67281 246.7590 42.02971 247.2411 40.03239 247.7233 39.49608 248.2054 40.92908 248.6875 41.86214 249.1696 41.82011 249.6517 41.58549 250.1338 42.47503 250.6160 44.92696 251.0981 47.73167 251.5802 50.52405 252.0623 53.30708 252.5444 56.07422 253.0265 58.40257 253.5087 61.04403 253.9908 65.10497 254.4729 71.17046 254.9550 77.46738 255.4371 83.29448 255.9192 88.34245 256.4014 95.20815 256.8835 104.7363 257.3656 115.2466 257.8477 125.1282 258.3298 134.6279 258.8120 143.0484 259.2941 150.6798 259.7762 157.6834 260.2583 161.5756 260.7404 162.8684 261.2225 160.4590 261.7047 152.6637 262.1868 137.8647 262.6689 121.6579 263.1510 104.2471 263.6331 85.87690 264.1152 70.20724 264.5974 57.63792 265.0795 47.32365 265.5616 39.00291 266.0437 32.94585 266.5258 27.54640 267.0079 22.44822 267.4901 17.69608 267.9722 14.12208 268.4543 11.82883 268.9364 10.43874 269.4185 9.902901 269.9006 10.55566 270.3828 10.53596 270.8649 9.303421 271.3470 7.212875 271.8291 5.938614 272.3112 5.665077 272.7933 5.636490 273.2755 5.209557 273.7576 4.251793 274.2397 3.907516 274.7218 4.493263 275.2039 5.690323 275.6860 6.489861 276.1682 6.822067 276.6503 7.060249 277.1324 7.398048 277.6145 7.824852 278.0966 8.443352 278.5787 9.317947 279.0609 10.34783 279.5430 11.28471 280.0251 12.07322 280.5072 12.91809 280.9893 13.97134 281.4715 15.22640 281.9536 16.32885 282.4357 17.14481 282.9178 18.03419 283.3999 19.78680 283.8820 22.45509 284.3642 25.01098 284.8463 26.78577 285.3284 27.88510 285.8105 29.42636 286.2926 31.40926 286.7747 33.86513 287.2569 36.87783 287.7390 40.43859 288.2211 44.37654 288.7032 48.69297 289.1853 53.33867 289.6674 58.19507 290.1496 63.29973 290.6317 68.51809 291.1138 73.75713 291.5959 79.02605 292.0780 84.21437 292.5602 89.54556 293.0423 94.72771 293.5244 99.33717 294.0065 103.3861 294.4886 106.0107 294.9707 106.1450 295.4529 104.1487 295.9350 101.3316 296.4171 98.00863 296.8992 94.04596 297.3813 89.03480 297.8634 83.06430 298.3456 76.82887 298.8277 70.78231 299.3098 64.91779 299.7919 59.18824 300.2740 53.47711 300.7561 48.16788 301.2383 44.10645 301.7204 41.07143 302.2025 38.33720 302.6846 35.28920 303.1667 32.27027 303.6488 29.77736 304.1310 27.98656 304.6131 26.49084 305.0952 25.04074 305.5773 23.60313 306.0594 22.09552 306.5415 20.24152 307.0237 18.39976 307.5058 17.08501 307.9879 16.45891 308.4700 15.61855 308.9521 13.44977 309.4343 10.63133 309.9164 8.310760 310.3985 7.017365 310.8806 6.365807 311.3627 6.384720 311.8448 7.082687 312.3270 7.334122 312.8091 5.695877 313.2912 3.476639 313.7733 2.222549 314.2554 3.540611 314.7375 5.046890 315.2197 5.463623 315.7018 4.891479 316.1839 4.230774 316.6660 3.821678 317.1481 3.529022 317.6302 3.230980 318.1124 2.592850 318.5945 2.318542 319.0766 2.888733 319.5587 4.070351 320.0408 5.060173 320.5229 5.298988 321.0051 5.492111 321.4872 6.055130 321.9693 7.251343 322.4514 8.430954 322.9335 9.231148 323.4156 9.944122 323.8978 11.13329 324.3799 13.71993 324.8620 16.08227 325.3441 17.66685 325.8262 18.33072 326.3083 18.49703 326.7905 18.29709 327.2726 17.59223 327.7547 16.20047 328.2368 13.17969 328.7189 10.47540 329.2010 8.496674 329.6832 7.318336 330.1653 6.238663 330.6474 5.367188 331.1295 4.601036 331.6116 3.762314 332.0938 2.437714 332.5759 1.481491 333.0580 1.147232 333.5401 1.372566 334.0222 1.426170 334.5043 1.107719 334.9865 0.9128340 335.4686 1.272026 335.9507 2.709007 336.4328 3.201424 336.9149 2.091873 337.3970 0.1221540 337.8792 0.2547530 338.3613 1.703300 338.8434 3.410591 339.3255 3.381119 339.8076 1.210045 340.2898 8.8600002E-02 340.7719 0.2918170 341.2540 1.091881 341.7361 1.347961 342.2182 0.9772800 342.7003 0.6246570 343.1825 0.5216750 343.6646 0.6717610 344.1467 0.9920730 344.6288 1.485458 345.1109 2.092712 345.5930 2.849152 346.0752 3.724449 346.5573 4.456268 347.0394 4.874641 347.5215 5.203270 348.0036 5.920982 348.4857 7.025261 348.9679 8.450806 349.4500 10.58919 349.9321 13.05224 350.4142 14.60245 350.8963 14.85043 351.3784 14.67606 351.8606 15.26134 352.3427 16.41528 352.8248 17.44702 353.3069 17.75826 353.7890 17.78342 354.2711 18.22491 354.7533 19.19586 355.2354 20.02872 355.7175 19.92352 356.1996 19.30593 356.6817 18.91835 357.1638 19.22400 357.6460 19.76705 358.1281 20.14901 358.6102 20.39127 359.0923 20.85072 359.5744 21.78137 360.0565 23.00121 360.5387 24.34605 361.0208 25.90826 361.5029 27.42036 361.9850 28.65442 362.4671 29.71827 362.9492 30.92928 363.4314 32.15913 363.9135 33.73879 364.3956 35.95940 364.8777 39.26302 365.3598 42.26102 365.8419 44.97635 366.3241 47.14845 366.8062 48.35968 367.2883 48.44193 367.7704 47.66542 368.2526 45.99464 368.7347 43.32655 369.2168 40.31481 369.6989 36.81438 370.1810 33.06655 370.6631 29.18594 371.1453 24.61092 371.6274 20.74281 372.1095 17.88727 372.5916 15.90054 373.0737 13.89378 373.5558 11.66231 374.0380 9.687012 374.5201 8.246292 375.0022 7.492928 375.4843 6.816650 375.9664 6.200523 376.4485 5.651070 376.9307 5.199356 377.4128 4.889923 377.8949 4.503899 378.3770 3.919350 378.8591 3.152580 379.3412 2.421471 379.8234 1.685219 380.3055 1.150673 380.7876 1.205788 381.2697 1.810608 381.7518 2.259254 382.2339 2.392365 382.7161 2.234749 383.1982 1.669525 383.6803 0.7206880 384.1624 6.9770999E-02 384.6445 0.1854100 385.1266 0.1688770 385.6088 0.5325930 386.0909 0.8823850 386.5730 1.084579 387.0551 0.9791720 387.5372 0.5972520 388.0193 1.9226000E-02 388.5015 1.166008 388.9836 2.280998 389.4657 2.422523 389.9478 1.515755 390.4299 0.5828700 390.9120 0.2760470 391.3942 0.3605420 391.8763 0.5540160 392.3584 0.8221510 392.8405 1.114319 393.3226 1.573227 393.8047 2.097076 394.2869 2.220169 394.7690 1.140594 395.2511 2.6054000E-02 395.7332 0.3260120 396.2154 0.6818010 396.6975 1.447853 397.1796 1.487350 397.6617 1.102264 398.1438 0.8139800 398.6259 0.8915860 399.1081 0.8774340 399.5902 0.5767140 400.0723 8.3182998E-02 400.5544 0.5196990 401.0365 0.5326610 401.5186 0.4695970 402.0008 0.6361690 402.4829 1.262802 402.9650 1.671280 403.4471 1.703812 403.9292 1.462029 404.4113 1.378784 404.8935 1.499031 405.3756 1.671066 405.8577 1.792877 406.3398 1.835930 406.8219 2.080017 407.3040 2.612679 407.7862 3.189392 408.2683 3.450500 408.7504 3.390594 409.2325 3.217644 409.7146 2.793114 410.1967 2.358986 410.6789 2.923576 411.1610 4.526039 411.6431 6.137978 412.1252 6.601723 412.6073 6.342606 413.0894 6.648895 413.5716 7.949669 414.0537 9.479660 414.5358 10.22358 415.0179 10.37971 415.5000 10.62306 415.9821 11.16513 416.4643 12.05672 416.9464 13.55193 417.4285 15.70975 417.9106 17.66218 418.3927 18.38173 418.8748 18.73409 419.3570 19.73286 419.8391 22.30664 420.3212 25.03265 420.8033 27.33855 421.2854 29.29867 421.7675 31.31769 422.2497 33.16152 422.7318 35.36696 423.2139 38.21298 423.6960 41.82373 424.1781 45.85889 424.6602 50.85145 425.1424 56.08981 425.6245 60.46928 426.1066 63.34854 426.5887 66.12181 427.0709 69.19878 427.5530 72.57845 428.0351 75.25560 428.5172 77.74048 428.9993 78.85326 429.4814 77.56755 429.9636 73.39843 430.4457 68.60278 430.9278 63.15198 431.4099 57.38104 431.8920 52.01811 432.3741 47.03790 432.8563 42.29636 433.3384 37.71913 433.8205 33.29720 434.3026 28.97066 434.7847 24.65005 435.2668 20.94801 435.7490 18.80817 436.2311 17.86375 436.7132 16.87411 437.1953 15.43559 437.6774 13.90855 438.1595 12.69141 438.6417 11.77409 439.1238 11.11436 439.6059 10.90222 440.0880 10.82520 440.5701 10.52777 441.0522 9.941956 441.5344 9.336060 442.0165 8.794777 442.4986 8.347374 442.9807 8.052574 443.4628 8.040924 443.9449 8.032562 444.4271 7.944786 444.9092 7.775551 445.3913 7.522156 445.8734 7.002586 446.3555 6.465355 446.8376 6.062592 447.3198 5.850807 447.8019 5.862091 448.2840 6.336540 448.7661 6.919022 449.2482 7.106186 449.7303 6.511543 450.2125 6.219177 450.6946 6.569778 451.1767 7.461632 451.6588 7.895233 452.1409 7.756271 452.6230 7.565117 453.1052 7.640755 453.5873 7.943382 454.0694 8.145081 454.5515 8.256523 455.0337 8.357918 455.5158 8.581276 455.9979 8.903755 456.4800 9.021255 456.9621 8.734634 457.4442 8.214943 457.9264 7.896515 458.4085 7.744942 458.8906 7.473755 459.3727 6.559486 459.8548 5.467102 460.3369 5.077530 460.8191 5.908218 461.3012 6.690460 461.7833 6.069824 462.2654 4.596565 462.7475 3.504135 463.2296 3.566368 463.7118 3.933945 464.1939 4.178413 464.6760 4.273766 465.1581 4.333931 465.6402 4.216148 466.1223 4.176208 466.6045 4.396233 467.0866 5.120514 467.5687 5.828972 468.0508 6.596237 468.5329 7.322227 469.0150 7.769699 469.4972 7.766640 469.9793 7.738564 470.4614 7.830185 470.9435 8.053085 471.4256 8.164284 471.9077 8.136452 472.3899 8.054749 472.8720 7.941025 473.3541 7.775803 473.8362 7.873489 474.3183 8.379868 474.8004 9.009361 475.2826 9.055565 475.7647 8.571877 476.2468 8.321014 476.7289 8.926155 477.2110 9.994514 477.6931 10.66509 478.1753 10.93370 478.6574 10.98513 479.1395 10.86498 479.6216 10.65437 480.1037 10.45237 480.5858 10.21491 481.0680 10.12418 481.5501 10.42670 482.0322 10.96385 482.5143 11.40145 482.9964 11.76338 483.4786 11.86526 483.9607 11.45829 484.4428 10.48208 484.9249 9.820099 485.4070 9.712692 485.8892 9.939331 486.3713 10.36534 486.8534 11.24061 487.3355 11.92733 487.8176 12.41312 488.2997 12.69909 488.7819 12.79852 489.2640 12.71483 489.7461 12.42271 490.2282 11.86127 490.7103 11.04461 491.1924 10.28783 491.6746 9.569221 492.1567 8.975533 492.6388 8.714706 493.1209 8.720284 493.6030 8.403946 494.0851 7.618301 494.5673 6.667969 495.0494 5.991043 495.5315 5.527412 496.0136 5.084290 496.4957 4.608681 496.9778 4.081482 497.4600 3.418587 497.9421 2.640907 498.4242 1.923752 498.9063 1.273491 499.3884 0.7810130 499.8705 0.5582350 500.3527 0.7588650 500.8348 0.9056400 501.3169 0.7766880 501.7990 0.5062870 502.2811 0.2821120 502.7632 0.1588060 503.2454 6.4185999E-02 503.7275 0.1031720 504.2096 0.3101350 504.6917 0.1359330 505.1738 0.8083880 505.6559 1.606041 506.1381 1.736328 506.6202 1.045296 507.1023 0.2631910 507.5844 0.7043760 508.0665 1.590591 508.5486 1.987114 509.0308 1.885742 509.5129 1.657295 509.9950 1.380539 510.4771 1.057266 510.9592 0.6224900 511.4413 0.1006850 511.9235 0.3102950 512.4056 0.4855270 512.8877 0.4677280 513.3698 0.2737810 513.8519 0.1078410 514.3340 0.4775850 514.8162 0.7255940 515.2983 0.8651050 515.7804 0.9086690 516.2625 0.8110350 516.7446 0.6777190 517.2267 0.5193100 517.7089 0.3536680 518.1910 0.2291410 518.6731 0.5006640 519.1552 0.4868160 519.6373 0.2957610 520.1194 1.997719 520.6016 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