#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:20 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1122 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000551.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_1000551 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 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 R100141.rod _rod_data_source.block 3500000 _rod_database.code 1000551 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 108.4438 0.0000000E+00 108.9259 5.5367000E-02 109.4080 0.3642040 109.8901 1.330261 110.3722 1.924843 110.8544 1.953415 111.3365 1.853260 111.8186 1.792328 112.3007 1.799332 112.7828 1.982368 113.2649 2.369286 113.7471 2.955437 114.2292 3.816208 114.7113 4.971561 115.1934 6.418861 115.6755 8.087837 116.1576 10.03118 116.6397 12.41146 117.1219 15.36869 117.6040 18.92246 118.0861 22.99888 118.5682 27.39228 119.0503 32.29015 119.5324 38.33692 120.0146 45.44323 120.4967 52.53260 120.9788 57.78253 121.4609 60.58224 121.9430 61.97609 122.4251 61.48820 122.9073 59.84076 123.3894 57.35172 123.8715 53.94181 124.3536 50.82584 124.8357 50.61259 125.3178 53.01947 125.8000 56.17565 126.2821 60.74097 126.7642 66.28036 127.2463 71.14121 127.7284 75.78241 128.2105 78.98244 128.6927 79.03025 129.1748 75.31925 129.6569 69.25902 130.1390 61.57899 130.6211 51.94385 131.1032 42.72585 131.5854 34.53504 132.0675 27.41328 132.5496 21.72185 133.0317 17.76512 133.5138 15.06446 133.9959 12.46284 134.4781 9.872433 134.9602 7.540966 135.4423 5.389042 135.9244 3.513035 136.4065 2.072346 136.8886 1.187496 137.3708 0.8398780 137.8529 0.5936580 138.3350 0.6699600 138.8171 0.6413420 139.2992 0.2975120 139.7813 0.2325130 140.2635 0.6900180 140.7456 0.9072070 141.2277 1.114769 141.7098 1.024200 142.1919 0.1323740 142.6740 0.6351850 143.1561 0.6704560 143.6383 0.1019970 144.1204 0.4658580 144.6025 0.6241950 145.0846 0.4202800 145.5667 5.9891000E-02 146.0488 1.288803 146.5310 2.661777 147.0131 3.378437 147.4952 3.279430 147.9773 2.938427 148.4594 2.867386 148.9415 3.035419 149.4237 3.534378 149.9058 4.509510 150.3879 5.851074 150.8700 7.209408 151.3521 8.524094 151.8342 9.940441 152.3164 11.48020 152.7985 13.15062 153.2806 15.04988 153.7627 17.21021 154.2448 19.62493 154.7269 22.35978 155.2091 25.81736 155.6912 29.30617 156.1733 32.80472 156.6554 36.19581 157.1375 38.90266 157.6196 40.24372 158.1018 40.07326 158.5839 38.81554 159.0660 36.11554 159.5481 32.76682 160.0302 29.01613 160.5123 25.01416 160.9945 21.03950 161.4766 17.59018 161.9587 14.73507 162.4408 12.37563 162.9229 10.72812 163.4050 9.417849 163.8871 8.127769 164.3693 6.733986 164.8514 5.331932 165.3335 4.165409 165.8156 3.354155 166.2977 2.723881 166.7798 2.193151 167.2620 1.742744 167.7441 1.323925 168.2262 0.9117030 168.7083 0.5302870 169.1904 0.2666590 169.6725 0.1592640 170.1547 7.0130996E-02 170.6368 4.3253001E-02 171.1189 0.1786310 171.6010 0.3457970 172.0831 0.6101110 172.5652 0.8486650 173.0474 0.8248100 173.5295 0.3894750 174.0116 2.4011999E-02 174.4937 1.2680000E-02 174.9758 0.4225220 175.4579 0.7870670 175.9401 0.8540340 176.4222 0.7364350 176.9043 0.5133320 177.3864 0.1459520 177.8685 0.1995410 178.3506 0.2776070 178.8328 8.1249997E-03 179.3149 0.2448430 179.7970 0.4098930 180.2791 0.4810730 180.7612 0.4106620 181.2433 0.1622910 181.7255 0.1603660 182.2076 0.3280390 182.6897 0.2598460 183.1718 0.1709880 183.6539 2.3422001E-02 184.1360 8.6375996E-02 184.6181 2.2639999E-02 185.1003 0.2928790 185.5824 0.7612060 186.0645 1.020292 186.5466 0.8111110 187.0287 0.6989330 187.5108 0.8460640 187.9930 1.107840 188.4751 1.297363 188.9572 1.307732 189.4393 1.170607 189.9214 1.059284 190.4035 0.9973470 190.8857 0.9357450 191.3678 0.7441390 191.8499 0.5563910 192.3320 0.6657350 192.8141 1.306248 193.2962 2.350264 193.7784 2.775780 194.2605 2.119434 194.7426 1.490404 195.2247 1.314262 195.7068 1.481911 196.1889 1.648994 196.6711 1.595163 197.1532 1.367033 197.6353 1.228397 198.1174 1.113010 198.5995 1.123835 199.0816 1.430353 199.5638 1.997839 200.0459 2.499846 200.5280 2.628929 201.0101 2.499708 201.4922 2.535976 201.9743 2.814663 202.4565 3.187408 202.9386 3.560308 203.4207 3.953108 203.9028 4.347555 204.3849 4.664637 204.8670 4.961578 205.3492 5.328535 205.8313 5.800222 206.3134 6.323677 206.7955 6.887854 207.2776 7.542788 207.7597 8.012054 208.2419 8.231264 208.7240 8.170177 209.2061 7.689497 209.6882 6.647205 210.1703 5.367056 210.6524 4.417402 211.1346 3.920929 211.6167 3.462679 212.0988 2.858339 212.5809 2.247337 213.0630 1.779001 213.5451 1.528343 214.0273 1.398645 214.5094 1.153278 214.9915 0.6416800 215.4736 0.2978820 215.9557 0.2081530 216.4378 0.2912620 216.9200 0.5112670 217.4021 0.8585090 217.8842 1.249504 218.3663 1.441711 218.8484 1.298376 219.3305 1.133471 219.8127 0.8579010 220.2948 0.6302640 220.7769 0.6707820 221.2590 1.080233 221.7411 1.691755 222.2232 2.008909 222.7054 1.662830 223.1875 1.443024 223.6696 1.481094 224.1517 1.635290 224.6338 1.708609 225.1159 1.611752 225.5980 1.453287 226.0802 1.553574 226.5623 2.241133 227.0444 2.802217 227.5265 3.090384 228.0086 3.252256 228.4907 3.424837 228.9729 3.656322 229.4550 4.000950 229.9371 4.613117 230.4192 5.520704 230.9013 6.641878 231.3834 8.047649 231.8656 9.669365 232.3477 11.33028 232.8298 12.91702 233.3119 14.60797 233.7940 16.81017 234.2761 19.30990 234.7583 22.63844 235.2404 27.12258 235.7225 32.49382 236.2046 38.44979 236.6867 45.06483 237.1688 51.85063 237.6510 58.36318 238.1331 64.95425 238.6152 70.00208 239.0973 73.10848 239.5794 74.29108 240.0615 73.38203 240.5437 70.04030 241.0258 65.11848 241.5079 59.30041 241.9900 52.55525 242.4721 46.39152 242.9542 41.50188 243.4364 37.67952 243.9185 34.46008 244.4006 31.85153 244.8827 29.68485 245.3648 27.72861 245.8469 25.98437 246.3290 24.65874 246.8112 23.98889 247.2933 23.82903 247.7754 23.69019 248.2575 23.38591 248.7396 23.34397 249.2217 23.86710 249.7039 24.87664 250.1860 26.16046 250.6681 27.52512 251.1502 29.05750 251.6323 31.03725 252.1144 33.22176 252.5966 36.34561 253.0787 40.74459 253.5608 46.23248 254.0429 52.45972 254.5250 58.79396 255.0071 65.66497 255.4893 74.86523 255.9714 86.82883 256.4535 100.6496 256.9356 116.4118 257.4177 133.3129 257.8998 150.5201 258.3820 168.6087 258.8641 186.0936 259.3462 197.8692 259.8283 204.3716 260.3104 203.3790 260.7925 193.6717 261.2747 177.7183 261.7568 158.0737 262.2389 135.1319 262.7210 110.7046 263.2031 89.66463 263.6852 72.34395 264.1674 58.36264 264.6495 48.00171 265.1316 40.14133 265.6137 33.88518 266.0958 28.89112 266.5779 24.90144 267.0601 21.35346 267.5422 18.27135 268.0243 15.68761 268.5064 13.63605 268.9885 11.96358 269.4706 10.57029 269.9528 9.415901 270.4349 8.487913 270.9170 7.809734 271.3991 7.628963 271.8812 7.215590 272.3633 6.315973 272.8455 5.333532 273.3276 4.579666 273.8097 4.127304 274.2918 3.842924 274.7739 3.528013 275.2560 3.148977 275.7382 2.813818 276.2202 2.446796 276.7024 2.164185 277.1845 2.098495 277.6666 2.233097 278.1487 2.391933 278.6308 2.348766 279.1129 2.013344 279.5951 1.796528 280.0772 1.791159 280.5593 1.796730 281.0414 1.671730 281.5235 1.442732 282.0056 1.259602 282.4878 1.279501 282.9699 1.544085 283.4520 1.708235 283.9341 1.672943 284.4162 1.643288 284.8983 1.718723 285.3805 1.880289 285.8626 2.050377 286.3447 2.162516 286.8268 2.218988 287.3089 2.387417 287.7910 2.694357 288.2732 3.072569 288.7553 3.558199 289.2374 4.098373 289.7195 4.591908 290.2016 4.973810 290.6837 5.268757 291.1659 5.624908 291.6480 6.053864 292.1301 6.526932 292.6122 7.029245 293.0943 7.575735 293.5764 8.229731 294.0586 9.030130 294.5407 9.867119 295.0228 10.44514 295.5049 10.80391 295.9870 10.82143 296.4691 10.20008 296.9513 9.360401 297.4334 8.718689 297.9155 8.416279 298.3976 8.372599 298.8797 8.468931 299.3618 8.834194 299.8440 9.102129 300.3261 9.175638 300.8082 9.212908 301.2903 9.373459 301.7724 9.673435 302.2545 9.959072 302.7367 10.00637 303.2188 9.645306 303.7009 9.782780 304.1830 10.89471 304.6651 12.07008 305.1472 12.85472 305.6294 13.17980 306.1115 13.06868 306.5936 12.48717 307.0757 11.39810 307.5578 10.48128 308.0399 10.13111 308.5221 9.536980 309.0042 8.154501 309.4863 6.215233 309.9684 4.351601 310.4505 2.967987 310.9326 2.007395 311.4148 1.134701 311.8969 0.2450790 312.3790 0.4595680 312.8611 0.8557150 313.3432 1.047134 313.8253 1.242720 314.3075 1.549015 314.7896 1.824083 315.2717 1.682167 315.7538 0.6050150 316.2359 0.1414490 316.7180 0.2646680 317.2001 9.4315998E-02 317.6823 6.7368001E-02 318.1644 0.1250400 318.6465 5.2531999E-02 319.1286 0.2071530 319.6107 0.7884410 320.0928 1.232695 320.5750 1.229851 321.0571 1.306690 321.5392 1.948027 322.0213 3.161152 322.5034 4.529121 322.9855 5.607876 323.4677 6.329407 323.9498 7.354771 324.4319 9.102259 324.9140 10.72213 325.3961 12.00788 325.8782 12.83493 326.3604 12.94512 326.8425 12.08330 327.3246 10.34418 327.8067 8.771679 328.2888 7.312542 328.7709 6.049332 329.2531 5.064306 329.7352 4.284552 330.2173 3.606024 330.6994 2.982019 331.1815 2.410248 331.6636 1.880896 332.1458 1.155628 332.6279 0.7887020 333.1100 1.154928 333.5921 1.714325 334.0742 1.883919 334.5563 1.507742 335.0385 0.9405440 335.5206 0.7465970 336.0027 1.180904 336.4848 1.348846 336.9669 0.9996990 337.4490 0.5946350 337.9312 0.4639300 338.4133 0.5981730 338.8954 0.7530630 339.3775 0.7022990 339.8596 0.4056110 340.3417 0.1688140 340.8239 8.0899999E-02 341.3060 0.1546100 341.7881 6.4420998E-02 342.2702 0.4609320 342.7523 0.8519950 343.2344 1.137743 343.7166 1.342392 344.1987 1.520197 344.6808 1.623085 345.1629 1.755672 345.6450 1.900337 346.1271 2.090052 346.6093 2.372700 347.0914 2.770340 347.5735 3.255577 348.0556 3.721197 348.5377 3.986237 349.0198 4.522144 349.5020 5.599098 349.9841 6.723373 350.4662 7.559380 350.9483 8.068340 351.4304 8.408060 351.9125 8.741646 352.3947 9.078007 352.8768 9.523787 353.3589 10.00919 353.8410 10.53473 354.3231 11.17607 354.8052 11.88311 355.2874 12.56458 355.7695 13.15216 356.2516 13.65757 356.7337 14.16665 357.2158 14.52670 357.6979 15.11839 358.1800 16.12662 358.6621 17.33590 359.1443 18.44957 359.6264 19.36091 360.1085 20.30640 360.5906 21.67344 361.0727 23.40227 361.5548 25.75138 362.0370 29.09205 362.5191 32.74403 363.0012 36.20139 363.4833 39.49702 363.9654 43.06692 364.4475 47.73559 364.9297 53.65138 365.4118 58.18395 365.8939 61.10332 366.3760 62.69939 366.8581 63.15011 367.3402 62.41865 367.8224 60.33454 368.3045 56.58296 368.7866 51.60984 369.2687 46.61325 369.7508 41.45362 370.2329 36.60963 370.7151 32.05256 371.1972 27.94216 371.6793 24.43857 372.1614 21.63413 372.6435 19.28747 373.1256 17.17972 373.6078 15.35762 374.0899 13.79665 374.5720 12.58734 375.0541 11.54804 375.5362 10.50836 376.0183 9.476246 376.5005 8.611984 376.9826 8.124578 377.4647 7.899052 377.9468 7.486582 378.4289 6.778643 378.9110 6.065611 379.3932 5.527369 379.8753 5.121597 380.3574 4.789663 380.8395 4.553171 381.3216 4.345217 381.8037 4.083710 382.2859 3.767157 382.7680 3.443239 383.2501 3.113934 383.7322 2.803921 384.2143 2.539907 384.6964 2.325136 385.1786 2.152739 385.6607 2.034262 386.1428 1.957720 386.6249 1.912273 387.1070 1.923170 387.5891 1.886574 388.0713 1.593752 388.5534 1.073614 389.0355 0.7279510 389.5176 0.8311350 389.9997 1.025341 390.4818 0.8876840 390.9640 0.4186670 391.4461 2.0592000E-02 391.9282 3.8920001E-03 392.4103 0.2701260 392.8924 0.4009770 393.3745 0.1946730 393.8567 7.1235001E-02 394.3388 0.3420640 394.8209 0.7952580 395.3030 0.9836420 395.7851 0.7229180 396.2672 0.2487970 396.7494 1.5507000E-02 397.2315 8.0022000E-02 397.7136 2.7172999E-02 398.1957 0.4346590 398.6778 0.8973270 399.1599 0.9864790 399.6420 0.6824980 400.1241 0.2428050 400.6063 0.1286040 401.0884 0.4342970 401.5705 0.6238240 402.0526 0.6586110 402.5347 0.6394330 403.0168 0.6000390 403.4990 0.5262960 403.9811 0.3567360 404.4632 5.9406999E-02 404.9453 0.2647090 405.4274 0.3599380 405.9095 6.5132000E-02 406.3917 0.1998410 406.8738 0.4973140 407.3559 0.7100230 407.8380 0.7637200 408.3201 0.6454620 408.8022 0.3595760 409.2844 0.1978540 409.7665 1.077562 410.2486 1.342260 410.7307 0.2459360 411.2128 0.6774820 411.6949 0.8944880 412.1771 0.6579600 412.6592 0.3883780 413.1413 0.2813780 413.6234 0.2915900 414.1055 0.3081460 414.5876 0.2894040 415.0698 0.4072430 415.5519 0.9638830 416.0340 1.495106 416.5161 1.596924 416.9982 1.249300 417.4803 0.8906390 417.9625 0.8969770 418.4446 1.225475 418.9267 1.594046 419.4088 2.011112 419.8909 2.415741 420.3730 2.841064 420.8552 3.223135 421.3373 3.380919 421.8194 3.006326 422.3015 2.637418 422.7836 3.027173 423.2657 4.165483 423.7479 5.272097 424.2300 6.001053 424.7121 6.567494 425.1942 7.354089 425.6763 8.420008 426.1584 9.388029 426.6406 10.03065 427.1227 10.49065 427.6048 11.08825 428.0869 11.90661 428.5690 12.52190 429.0511 12.53454 429.5333 11.90716 430.0154 11.12839 430.4975 10.03976 430.9796 8.948997 431.4617 8.026553 431.9438 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