#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:25:50 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1082 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000524.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_1000524 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 R040081 _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 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 R040081.rod _rod_data_source.block 3500000 _rod_database.code 1000524 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 94.13452 0.0000000E+00 94.61664 1.151886 95.09875 1.615997 95.58087 1.664291 96.06299 1.485748 96.54510 0.7508090 97.02721 0.4419710 97.50933 0.6226650 97.99145 1.184799 98.47356 2.101822 98.95568 2.734238 99.43780 1.940277 99.91991 1.456924 100.4020 1.965912 100.8841 2.384186 101.3663 2.169876 101.8484 1.381699 102.3305 0.4956970 102.8126 6.9656000E-02 103.2947 0.2807160 103.7768 1.8600000E-02 104.2590 1.292572 104.7411 2.847343 105.2232 3.949501 105.7053 4.398720 106.1874 4.572807 106.6695 4.879852 107.1517 5.291222 107.6338 5.782158 108.1159 6.368332 108.5980 7.032951 109.0801 7.689125 109.5622 8.240334 110.0444 8.851944 110.5265 9.676064 111.0086 10.73015 111.4907 11.84898 111.9728 12.89854 112.4549 13.89639 112.9371 15.02287 113.4192 16.74187 113.9013 18.49151 114.3834 20.03430 114.8655 21.42669 115.3476 22.67406 115.8298 24.18262 116.3119 25.88354 116.7940 27.97612 117.2761 30.81792 117.7582 34.04440 118.2403 37.24216 118.7225 40.19208 119.2046 42.86002 119.6867 44.89899 120.1688 47.00977 120.6509 47.99915 121.1330 47.28389 121.6152 45.01196 122.0973 41.68485 122.5794 37.41264 123.0615 32.24140 123.5436 27.78197 124.0257 24.23837 124.5079 21.27370 124.9900 18.64111 125.4721 16.30878 125.9542 14.32190 126.4363 12.86655 126.9184 11.80742 127.4006 10.93752 127.8827 10.45341 128.3648 10.13705 128.8469 9.280663 129.3290 7.503532 129.8111 5.654411 130.2932 4.271370 130.7754 3.261826 131.2575 2.277901 131.7396 1.001556 132.2217 0.5754320 132.7038 1.510605 133.1859 1.362755 133.6681 0.8188480 134.1502 0.4368820 134.6323 0.2112960 135.1144 8.3511002E-02 135.5965 0.7205960 136.0786 2.219612 136.5608 3.248474 137.0429 3.184418 137.5250 2.748482 138.0071 2.679260 138.4892 3.167419 138.9713 3.971657 139.4535 4.613434 139.9356 5.142769 140.4177 5.505814 140.8998 5.583549 141.3819 5.510033 141.8640 5.410484 142.3462 5.323250 142.8283 5.296143 143.3104 5.461754 143.7925 5.911674 144.2746 6.393814 144.7567 6.748550 145.2388 7.011490 145.7210 7.444183 146.2031 8.259995 146.6852 9.229469 147.1673 9.985710 147.6494 10.42097 148.1315 10.82913 148.6137 11.58744 149.0958 12.83258 149.5779 13.81574 150.0600 13.55170 150.5421 13.03680 151.0242 13.36004 151.5064 15.14426 151.9885 17.79303 152.4706 19.49817 152.9527 19.70232 153.4348 20.03815 153.9169 21.24087 154.3991 22.79822 154.8812 24.07715 155.3633 24.68977 155.8454 24.74422 156.3275 24.91573 156.8096 25.76382 157.2918 26.09888 157.7739 25.63972 158.2560 24.51155 158.7381 22.90162 159.2202 20.89510 159.7023 18.47079 160.1845 16.29383 160.6666 14.39517 161.1487 12.65961 161.6308 11.10633 162.1129 9.724869 162.5950 8.501907 163.0772 7.464874 163.5593 6.638069 164.0414 5.680176 164.5235 4.414757 165.0056 3.165321 165.4877 2.100441 165.9698 1.245872 166.4520 0.6474080 166.9341 0.3964080 167.4162 0.5041730 167.8983 0.7472920 168.3804 1.389854 168.8625 2.044083 169.3447 2.140953 169.8268 1.505547 170.3089 0.7111970 170.7910 0.3642730 171.2731 0.3513340 171.7552 0.3103560 172.2374 4.2465001E-02 172.7195 0.5374680 173.2016 0.6567460 173.6837 0.1666490 174.1658 0.4539490 174.6479 0.8933330 175.1301 1.167976 175.6122 1.339180 176.0943 1.493782 176.5764 1.623199 177.0585 1.487526 177.5406 0.7381060 178.0228 1.9165000E-02 178.5049 0.4553450 178.9870 0.6471630 179.4691 0.5256650 179.9512 0.1075670 180.4333 1.483498 180.9155 2.295174 181.3976 2.074127 181.8797 1.681931 182.3618 1.370583 182.8439 1.233017 183.3260 1.349174 183.8082 1.920471 184.2903 3.430779 184.7724 4.071274 185.2545 3.169746 185.7366 2.077255 186.2187 1.701134 186.7009 2.184204 187.1830 3.001099 187.6651 3.393288 188.1472 3.060875 188.6293 2.905304 189.1114 3.096466 189.5936 3.347885 190.0757 3.285446 190.5578 2.850708 191.0399 2.431396 191.5220 2.636116 192.0041 3.826378 192.4863 4.594673 192.9684 4.709511 193.4505 4.363724 193.9326 3.662964 194.4147 2.535950 194.8968 1.339302 195.3790 0.7831040 195.8611 0.9123230 196.3432 0.9698640 196.8253 0.5265960 197.3074 0.1475980 197.7895 0.3954770 198.2717 0.1170200 198.7538 0.8271260 199.2359 1.001518 199.7180 0.6460040 200.2001 0.1947100 200.6822 0.2396470 201.1644 0.6167450 201.6465 0.7082600 202.1286 0.2887800 202.6107 0.2486880 203.0928 0.5565640 203.5749 0.6335910 204.0571 0.6036300 204.5392 0.4638600 205.0213 0.2182540 205.5034 0.2112660 205.9855 0.8089980 206.4676 1.410606 206.9497 1.691078 207.4319 1.623405 207.9140 1.301529 208.3961 0.6556170 208.8782 0.4414520 209.3603 1.052673 209.8424 0.5163420 210.3246 0.1168750 210.8067 0.3449550 211.2888 0.1197660 211.7709 0.2902830 212.2530 0.5988920 212.7351 0.8126070 213.2173 0.8874510 213.6994 0.7600710 214.1815 0.5581820 214.6636 0.3280490 215.1457 8.7142996E-02 215.6278 0.1532140 216.1100 0.3595580 216.5921 0.4423370 217.0742 0.7348250 217.5563 1.494560 218.0384 2.232651 218.5205 2.617851 219.0027 2.610893 219.4848 2.420181 219.9669 2.311615 220.4490 2.290207 220.9311 2.364609 221.4132 2.551765 221.8954 2.805275 222.3775 3.069252 222.8596 3.341980 223.3417 3.694672 223.8238 4.241089 224.3059 5.112801 224.7881 5.797928 225.2702 6.116394 225.7523 6.385963 226.2344 6.996689 226.7165 7.992668 227.1986 8.892586 227.6807 8.978546 228.1629 7.958580 228.6450 7.623795 229.1271 8.578140 229.6092 10.03659 230.0913 11.20254 230.5734 11.92181 231.0556 12.48087 231.5377 13.14288 232.0198 13.90781 232.5019 14.86436 232.9840 16.08994 233.4661 17.47478 233.9483 18.81554 234.4304 20.04271 234.9125 21.48670 235.3946 23.61052 235.8767 26.25415 236.3588 28.93806 236.8410 31.93031 237.3231 34.80347 237.8052 36.88695 238.2873 38.02335 238.7694 38.70039 239.2515 39.38269 239.7337 39.94151 240.2158 39.97430 240.6979 39.01859 241.1800 37.52789 241.6621 36.32070 242.1442 35.43075 242.6264 34.76357 243.1085 34.44312 243.5906 34.26841 244.0727 33.89153 244.5548 33.00542 245.0369 31.90765 245.5191 31.19591 246.0012 30.86329 246.4833 30.95879 246.9654 31.71255 247.4475 32.81499 247.9296 33.84524 248.4117 34.54652 248.8939 35.14233 249.3760 36.21267 249.8581 38.01779 250.3402 39.75762 250.8223 40.87831 251.3044 41.87260 251.7866 43.29533 252.2687 45.40681 252.7508 48.00623 253.2329 50.69845 253.7150 53.50946 254.1971 56.34694 254.6793 59.33597 255.1614 62.26061 255.6435 64.99307 256.1256 67.51385 256.6077 69.70666 257.0898 71.39672 257.5720 72.66378 258.0541 73.15201 258.5362 73.17048 259.0183 72.36436 259.5004 70.45440 259.9825 67.36351 260.4647 63.16560 260.9468 57.81754 261.4289 50.35155 261.9110 43.63436 262.3931 37.84594 262.8752 32.69624 263.3574 27.94695 263.8395 23.52534 264.3216 19.62370 264.8037 16.54886 265.2858 14.60349 265.7679 12.95587 266.2501 11.73998 266.7322 10.64441 267.2143 9.351112 267.6964 7.914604 268.1785 6.681259 268.6606 6.170654 269.1428 6.796768 269.6249 7.070351 270.1070 6.647171 270.5891 6.205132 271.0712 6.227928 271.5533 6.721260 272.0355 7.285309 272.5176 7.412903 272.9997 6.828606 273.4818 7.029015 273.9639 8.488144 274.4460 10.14502 274.9282 11.45312 275.4103 12.42098 275.8924 13.35471 276.3745 14.55270 276.8566 16.06986 277.3387 17.32945 277.8208 18.10523 278.3029 18.91054 278.7851 20.15828 279.2672 21.67579 279.7493 22.87770 280.2314 23.26410 280.7135 22.88273 281.1956 23.07944 281.6778 24.18115 282.1599 25.38857 282.6420 26.52170 283.1241 27.54784 283.6062 28.41209 284.0883 29.05674 284.5705 29.55910 285.0526 30.33124 285.5347 31.22273 286.0168 32.50227 286.4989 34.51868 286.9810 36.92790 287.4632 39.10007 287.9453 40.71165 288.4274 42.03349 288.9095 43.88104 289.3916 46.54634 289.8737 49.24302 290.3559 52.07043 290.8380 54.78696 291.3201 57.09436 291.8022 58.89877 292.2843 60.16252 292.7664 60.76329 293.2486 60.50478 293.7307 60.04002 294.2128 59.61672 294.6949 58.93034 295.1770 57.63445 295.6591 55.64297 296.1413 53.13827 296.6234 50.25282 297.1055 46.82121 297.5876 43.69116 298.0697 41.12740 298.5518 38.72890 299.0340 36.09470 299.5161 33.20611 299.9982 30.36436 300.4803 27.81954 300.9624 25.61283 301.4445 23.72536 301.9267 22.43423 302.4088 21.24397 302.8909 19.73053 303.3730 17.95029 303.8551 16.32758 304.3372 15.16369 304.8194 14.43739 305.3015 13.75726 305.7836 13.46306 306.2657 12.87728 306.7478 11.37106 307.2299 9.254997 307.7121 7.469086 308.1942 6.527420 308.6763 6.229874 309.1584 5.908424 309.6405 5.571426 310.1227 5.204842 310.6048 4.885681 311.0869 4.526161 311.5690 3.885590 312.0511 2.818092 312.5332 1.634651 313.0154 0.9899140 313.4975 0.9788060 313.9796 1.073860 314.4617 1.277992 314.9438 1.494293 315.4259 1.578545 315.9081 1.491714 316.3902 1.344460 316.8723 1.251991 317.3544 1.209053 317.8365 1.282768 318.3186 1.483253 318.8007 1.800148 319.2828 2.343521 319.7650 3.095596 320.2471 3.685570 320.7292 3.712891 321.2113 3.172966 321.6934 2.989342 322.1755 3.416016 322.6577 3.977554 323.1398 4.421181 323.6219 4.740257 324.1040 4.999084 324.5861 5.202965 325.0682 5.386574 325.5504 5.707443 326.0325 6.241096 326.5146 6.803169 326.9967 7.452888 327.4788 8.087761 327.9609 8.498734 328.4431 8.586617 328.9252 8.387024 329.4073 7.960266 329.8894 7.269066 330.3715 6.524879 330.8536 5.700470 331.3358 4.799454 331.8179 3.801811 332.3000 2.729630 332.7821 1.806404 333.2642 1.355698 333.7463 1.561516 334.2285 1.503937 334.7106 0.9894710 335.1927 0.3754200 335.6748 0.1689610 336.1569 0.6227420 336.6390 0.9128420 337.1212 0.9141540 337.6033 0.6080090 338.0854 0.4545210 338.5675 0.5474780 339.0496 0.6473620 339.5317 0.6916200 340.0139 0.6714400 340.4960 0.5425260 340.9781 0.2610630 341.4602 0.1281660 341.9423 0.3921590 342.4244 0.3514790 342.9066 0.4544910 343.3887 0.8701100 343.8708 1.430374 344.3529 1.949547 344.8350 2.366600 345.3171 2.670479 345.7993 2.789337 346.2814 2.511055 346.7635 2.385742 347.2456 2.483620 347.7277 2.700638 348.2098 2.954597 348.6920 3.229233 349.1741 3.558701 349.6562 3.990555 350.1383 4.563622 350.6204 5.047241 351.1025 5.438385 351.5847 5.760094 352.0668 5.971703 352.5489 6.113899 353.0310 6.312111 353.5131 6.680046 353.9952 7.176689 354.4774 7.366959 354.9595 6.936272 355.4416 6.565987 355.9237 6.307457 356.4058 6.208309 356.8879 6.331429 357.3701 6.706810 357.8522 7.280838 358.3343 7.958366 358.8164 9.062340 359.2985 9.740608 359.7806 9.666862 360.2627 9.405029 360.7448 9.505394 361.2270 10.00035 361.7091 10.38559 362.1912 9.970390 362.6733 8.436138 363.1554 7.526176 363.6375 7.367889 364.1197 7.660988 364.6018 8.643276 365.0839 10.00657 365.5660 11.09039 366.0481 11.39467 366.5302 11.01435 367.0124 10.69014 367.4945 10.61745 367.9766 10.33375 368.4587 9.633255 368.9408 8.730968 369.4229 7.889099 369.9051 7.220390 370.3872 6.602043 370.8693 5.754139 371.3514 4.493759 371.8335 3.487469 372.3156 2.757389 372.7978 2.322521 373.2799 2.393833 373.7620 2.893070 374.2441 3.306473 374.7262 2.905285 375.2083 1.623840 375.6905 1.105659 376.1726 2.135700 376.6547 3.068092 377.1368 3.186474 377.6189 2.679932 378.1010 1.956936 378.5832 1.130024 379.0653 0.3220900 379.5474 0.1297380 380.0295 0.1556470 380.5116 1.5910000E-03 380.9937 0.4407350 381.4759 0.9183390 381.9580 1.171600 382.4401 1.122501 382.9222 0.9379080 383.4043 0.7911830 383.8864 0.6811100 384.3686 0.5126270 384.8507 0.2103000 385.3328 9.8553002E-02 385.8149 0.2919650 386.2970 0.3813400 386.7791 0.4883580 387.2613 0.8062290 387.7434 1.173656 388.2255 1.131813 388.7076 0.5314600 389.1897 6.7234002E-02 389.6718 0.1972200 390.1540 4.5077998E-02 390.6361 2.0035001E-02 391.1182 0.2150960 391.6003 0.4164620 392.0824 0.1637120 392.5645 0.4794310 393.0467 0.9251980 393.5288 0.8863490 394.0109 0.5651590 394.4930 0.3034400 394.9751 6.9420002E-02 395.4572 6.2054001E-02 395.9394 4.7309998E-02 396.4215 0.2677120 396.9036 0.3718410 397.3857 0.3103520 397.8678 0.1472240 398.3499 0.1084790 398.8321 0.4668080 399.3142 0.6128310 399.7963 0.3015790 400.2784 4.5418002E-02 400.7605 0.1015820 401.2426 8.6585999E-02 401.7247 0.2378230 402.2068 0.1500400 402.6890 7.1442001E-02 403.1711 6.3156001E-02 403.6532 0.8741570 404.1353 1.582886 404.6174 2.042618 405.0995 2.331623 405.5817 2.488213 406.0638 2.534889 406.5459 2.594566 407.0280 2.843071 407.5101 3.330929 407.9922 3.864727 408.4744 4.498631 408.9565 5.122738 409.4386 5.684532 409.9207 6.185116 410.4028 6.654964 410.8849 7.125324 411.3671 7.582844 411.8492 7.938671 412.3313 8.178616 412.8134 8.319237 413.2955 8.150932 413.7776 7.984196 414.2598 8.184757 414.7419 8.861115 415.2240 9.766991 415.7061 10.54287 416.1882 11.16401 416.6703 11.75144 417.1525 12.23343 417.6346 12.74752 418.1167 13.32615 418.5988 13.99091 419.0809 14.78054 419.5630 15.78908 420.0452 16.93319 420.5273 17.83613 421.0094 18.32677 421.4915 18.93182 421.9736 19.91946 422.4557 21.08646 422.9379 22.20043 423.4200 23.18232 423.9021 24.19331 424.3842 25.49725 424.8663 27.07167 425.3484 28.41035 425.8306 29.36991 426.3127 30.09453 426.7948 30.93235 427.2769 31.78872 427.7590 31.98505 428.2411 30.92516 428.7233 29.15964 429.2054 27.58797 429.6875 26.26717 430.1696 24.62196 430.6517 22.04057 431.1339 18.95504 431.6160 16.66810 432.0981 15.50447 432.5802 14.62839 433.0623 13.70209 433.5444 12.76084 434.0266 11.86143 434.5087 11.01730 434.9908 10.26091 435.4729 9.654224 435.9550 9.238121 436.4371 8.808598 436.9193 8.239830 437.4014 7.731945 437.8835 7.579506 438.3656 7.691582 438.8477 7.633892 439.3298 7.062672 439.8120 6.127018 440.2941 5.651493 440.7762 6.147816 441.2583 6.473896 441.7404 6.413666 442.2225 6.203758 442.7046 6.022163 443.1867 5.908550 443.6689 5.875103 444.1510 5.992958 444.6331 6.359798 445.1152 6.511639 445.5973 6.090240 446.0794 5.761868 446.5616 5.845901 447.0437 6.224693 447.5258 6.652580 448.0079 7.024601 448.4900 7.346821 448.9721 7.398331 449.4543 6.901207 449.9364 6.634003 450.4185 7.123459 450.9006 7.710369 451.3827 7.952492 451.8648 7.851486 452.3470 7.689259 452.8291 7.493633 453.3112 7.293888 453.7933 7.582531 454.2754 8.683674 454.7575 9.608212 455.2397 9.509460 455.7218 8.826038 456.2039 8.240871 456.6860 7.928516 457.1681 7.700798 457.6502 7.379131 458.1324 6.985565 458.6145 6.700813 459.0966 6.655254 459.5787 6.628387 460.0608 6.183689 460.5429 5.255276 461.0251 4.631439 461.5072 4.624851 461.9893 4.868423 462.4714 5.211899 462.9535 5.564823 463.4356 5.531097 463.9178 4.699188 464.3999 3.357132 464.8820 3.100445 465.3641 5.065182 465.8462 6.584412 466.3283 7.156094 466.8105 7.181084 467.2926 6.954510 467.7747 6.608162 468.2568 6.358315 468.7389 6.506672 469.2210 7.158264 469.7032 7.514465 470.1853 7.384296 470.6674 7.149391 471.1495 6.841793 471.6316 6.520279 472.1137 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