#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:23 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1123 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000552.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_1000552 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 R100150 _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 R100150.rod _rod_data_source.block 3500000 _rod_database.code 1000552 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 107.9617 0.0000000E+00 108.4438 2.1103000E-02 108.9259 6.1783001E-02 109.4080 2.9967999E-02 109.8901 0.2693480 110.3722 1.070595 110.8544 2.201645 111.3365 4.102165 111.8186 7.166100 112.3007 11.15202 112.7828 15.63006 113.2649 19.94241 113.7471 24.20575 114.2292 30.08987 114.7113 37.84490 115.1934 47.50723 115.6755 58.72588 116.1576 71.63357 116.6397 86.79912 117.1219 105.1373 117.6040 127.4071 118.0861 150.9355 118.5682 180.5133 119.0503 207.8026 119.5324 229.5217 120.0146 244.4151 120.4967 251.4356 120.9788 248.5575 121.4609 228.9715 121.9430 208.0962 122.4251 183.3779 122.9073 157.2758 123.3894 134.4079 123.8715 115.8736 124.3536 100.7473 124.8357 88.34328 125.3178 78.75944 125.8000 70.54241 126.2821 63.60362 126.7642 57.75495 127.2463 52.52679 127.7284 47.98096 128.2105 43.77518 128.6927 39.19294 129.1748 34.14411 129.6569 28.94521 130.1390 23.58845 130.6211 17.90804 131.1032 13.09065 131.5854 10.05427 132.0675 7.987213 132.5496 6.300758 133.0317 4.804565 133.5138 3.525192 133.9959 2.559082 134.4781 2.196945 134.9602 1.689468 135.4423 0.5837780 135.9244 0.7324980 136.4065 1.680740 136.8886 1.895859 137.3708 1.464539 137.8529 1.211205 138.3350 1.529068 138.8171 1.661263 139.2992 1.263908 139.7813 0.5160680 140.2635 0.1889950 140.7456 0.6038740 141.2277 0.7600400 141.7098 1.306335 142.1919 1.681602 142.6740 1.905525 143.1561 2.166245 143.6383 2.497383 144.1204 2.911255 144.6025 3.479286 145.0846 4.258415 145.5667 4.854240 146.0488 5.169418 146.5310 5.390976 147.0131 5.607620 147.4952 5.829071 147.9773 6.248459 148.4594 7.261528 148.9415 8.770439 149.4237 10.27130 149.9058 11.28066 150.3879 12.10131 150.8700 13.64042 151.3521 16.34186 151.8342 19.42333 152.3164 22.15164 152.7985 24.56858 153.2806 27.11828 153.7627 30.11153 154.2448 33.55663 154.7269 37.25074 155.2091 42.22686 155.6912 46.59615 156.1733 49.53393 156.6554 50.92262 157.1375 50.91625 157.6196 49.47943 158.1018 46.09700 158.5839 42.73139 159.0660 39.56316 159.5481 36.39684 160.0302 33.11170 160.5123 29.74586 160.9945 26.49397 161.4766 23.25037 161.9587 19.53145 162.4408 16.30820 162.9229 13.90822 163.4050 11.95816 163.8871 10.00641 164.3693 7.832489 164.8514 5.702301 165.3335 4.150536 165.8156 3.690422 166.2977 3.375832 166.7798 3.147392 167.2620 3.015869 167.7441 3.074173 168.2262 3.422264 168.7083 3.844269 169.1904 3.678200 169.6725 2.631248 170.1547 1.665375 170.6368 1.144577 171.1189 1.008560 171.6010 1.091064 172.0831 1.444191 172.5652 1.874458 173.0474 2.026657 173.5295 1.875511 174.0116 1.500179 174.4937 0.7033000 174.9758 0.5158040 175.4579 1.197140 175.9401 0.5167500 176.4222 0.7552410 176.9043 1.839596 177.3864 2.619442 177.8685 3.139751 178.3506 3.373852 178.8328 3.203403 179.3149 3.172459 179.7970 3.762390 180.2791 4.431423 180.7612 4.595043 181.2433 3.959717 181.7255 3.038631 182.2076 3.055294 182.6897 4.864647 183.1718 6.031231 183.6539 5.601036 184.1360 4.570553 184.6181 3.998596 185.1003 4.417828 185.5824 5.501091 186.0645 6.076649 186.5466 5.577477 187.0287 5.230103 187.5108 5.367290 187.9930 5.702145 188.4751 5.847973 188.9572 5.580566 189.4393 4.975620 189.9214 4.505589 190.4035 4.042984 190.8857 3.854568 191.3678 4.269093 191.8499 4.975792 192.3320 5.431820 192.8141 5.271988 193.2962 4.575989 193.7784 4.096954 194.2605 4.106922 194.7426 4.048584 195.2247 3.708435 195.7068 3.152908 196.1889 2.570171 196.6711 2.086472 197.1532 1.743725 197.6353 1.555435 198.1174 1.642315 198.5995 1.730991 199.0816 1.567379 199.5638 1.210995 200.0459 1.046852 200.5280 1.344978 201.0101 2.012756 201.4922 2.673843 201.9743 3.301819 202.4565 3.940144 202.9386 4.558712 203.4207 5.150612 203.9028 5.953682 204.3849 7.324379 204.8670 8.911278 205.3492 10.23061 205.8313 11.24973 206.3134 11.90478 206.7955 12.13500 207.2776 11.95731 207.7597 11.26209 208.2419 9.566895 208.7240 7.479752 209.2061 5.470131 209.6882 3.565800 210.1703 2.047165 210.6524 1.653126 211.1346 3.064545 211.6167 3.826828 212.0988 2.708466 212.5809 0.8401030 213.0630 0.8150140 213.5451 1.897015 214.0273 2.450321 214.5094 2.495964 214.9915 1.693996 215.4736 0.9764290 215.9557 0.4315190 216.4378 8.3945997E-02 216.9200 2.1170001E-03 217.4021 0.2096560 217.8842 0.6088070 218.3663 0.9016080 218.8484 1.179333 219.3305 1.180225 219.8127 0.7843170 220.2948 0.1608770 220.7769 0.5794640 221.2590 1.386761 221.7411 2.168396 222.2232 2.642216 222.7054 2.566711 223.1875 2.432602 223.6696 2.114758 224.1517 1.810524 224.6338 1.792114 225.1159 2.183224 225.5980 2.820934 226.0802 3.230766 226.5623 2.959076 227.0444 2.994667 227.5265 3.535107 228.0086 4.376591 228.4907 5.225693 228.9729 5.955685 229.4550 6.717453 229.9371 7.913006 230.4192 9.833664 230.9013 11.69275 231.3834 13.32926 231.8656 14.83103 232.3477 16.11285 232.8298 16.99157 233.3119 18.05717 233.7940 20.91483 234.2761 26.16663 234.7583 31.29322 235.2404 35.60520 235.7225 39.37649 236.2046 43.15899 236.6867 47.20846 237.1688 51.18587 237.6510 54.72729 238.1331 58.08779 238.6152 60.24366 239.0973 60.75410 239.5794 59.81545 240.0615 57.61320 240.5437 53.80912 241.0258 49.53818 241.5079 46.31350 241.9900 44.08048 242.4721 42.02876 242.9542 39.69013 243.4364 37.28957 243.9185 35.41282 244.4006 34.23767 244.8827 33.51161 245.3648 33.00549 245.8469 32.70173 246.3290 32.55137 246.8112 32.42018 247.2933 32.40990 247.7754 32.83093 248.2575 33.71837 248.7396 35.10158 249.2217 36.84891 249.7039 38.99567 250.1860 41.74084 250.6681 45.11331 251.1502 49.14353 251.6323 54.06576 252.1144 60.05394 252.5966 66.71564 253.0787 73.44440 253.5608 80.50958 254.0429 88.68674 254.5250 98.85004 255.0071 110.4461 255.4893 121.4663 255.9714 131.7687 256.4535 141.5908 256.9356 152.0475 257.4177 162.1116 257.8998 170.2669 258.3820 176.0137 258.8641 179.0124 259.3462 178.0154 259.8283 172.8100 260.3104 163.3301 260.7925 148.2707 261.2747 130.0711 261.7568 111.6424 262.2389 94.01656 262.7210 77.61228 263.2031 63.41456 263.6852 51.59128 264.1674 42.02157 264.6495 35.10195 265.1316 29.82232 265.6137 25.21824 266.0958 20.88002 266.5779 16.96394 267.0601 13.89966 267.5422 12.02081 268.0243 10.49812 268.5064 9.372444 268.9885 8.401009 269.4706 7.290268 269.9528 5.949394 270.4349 4.638218 270.9170 3.875885 271.3991 4.004669 271.8812 4.014900 272.3633 3.761040 272.8455 3.521217 273.3276 3.375771 273.8097 3.366875 274.2918 3.596409 274.7739 4.266556 275.2560 5.626675 275.7382 6.879108 276.2202 7.999069 276.7024 9.057884 277.1845 10.00263 277.6666 10.90826 278.1487 12.02729 278.6308 13.70312 279.1129 16.19247 279.5951 18.30817 280.0772 20.17082 280.5593 21.64508 281.0414 22.61055 281.5235 23.10014 282.0056 23.22163 282.4878 23.00409 282.9699 22.32417 283.4520 22.22623 283.9341 22.58466 284.4162 23.53402 284.8983 25.12727 285.3805 27.36465 285.8626 30.27035 286.3447 33.91749 286.8268 38.28087 287.3089 42.70424 287.7910 46.86382 288.2732 51.40454 288.7553 56.35249 289.2374 61.81514 289.7195 67.99454 290.2016 75.06540 290.6837 82.82845 291.1659 90.38670 291.6480 98.71243 292.1301 105.6490 292.6122 110.9735 293.0943 114.6531 293.5764 116.6251 294.0586 116.8604 294.5407 115.4763 295.0228 112.7734 295.5049 107.6431 295.9870 102.4554 296.4691 97.60654 296.9513 92.60320 297.4334 86.61610 297.9155 79.45236 298.3976 72.03919 298.8797 65.95717 299.3618 61.93501 299.8440 58.06752 300.3261 54.15371 300.8082 50.54108 301.2903 47.54290 301.7724 45.20720 302.2545 43.23478 302.7367 41.26894 303.2188 39.27911 303.7009 37.48368 304.1830 36.16441 304.6651 34.78595 305.1472 33.04766 305.6294 30.92723 306.1115 28.52316 306.5936 25.90826 307.0757 23.06302 307.5578 20.10596 308.0399 16.67504 308.5221 13.50004 309.0042 10.93253 309.4863 8.886978 309.9684 7.145897 310.4505 5.586128 310.9326 4.205769 311.4148 3.062775 311.8969 2.197922 312.3790 1.473408 312.8611 0.9806370 313.3432 0.5873110 313.8253 1.1440000E-02 314.3075 0.9822040 314.7896 2.029358 315.2717 2.371628 315.7538 1.344189 316.2359 0.5684280 316.7180 0.3052670 317.2001 0.2948910 317.6823 0.2568890 318.1644 0.1099930 318.6465 4.2319998E-02 319.1286 2.7923999E-02 319.6107 0.3098720 320.0928 0.4207420 320.5750 0.4400520 321.0571 0.1522980 321.5392 0.7808420 322.0213 2.306484 322.5034 3.878742 322.9855 4.878265 323.4677 5.152222 323.9498 6.137218 324.4319 8.458042 324.9140 10.79462 325.3961 12.40818 325.8782 13.44553 326.3604 14.55556 326.8425 16.23721 327.3246 18.39484 327.8067 19.97101 328.2888 20.90965 328.7709 21.43993 329.2531 21.82227 329.7352 21.81745 330.2173 20.87287 330.6994 18.67376 331.1815 15.66220 331.6636 13.04197 332.1458 10.89885 332.6279 9.082260 333.1100 7.685398 333.5921 6.586269 334.0742 5.740639 334.5563 5.110931 335.0385 4.503433 335.5206 3.640942 336.0027 2.330177 336.4848 1.398731 336.9669 0.8216020 337.4490 0.4737400 337.9312 0.4077910 338.4133 0.5978390 338.8954 0.8609280 339.3775 0.9802510 339.8596 0.8961220 340.3417 0.9208300 340.8239 1.289547 341.3060 1.540047 341.7881 1.321617 342.2702 0.8669700 342.7523 0.6704440 343.2344 1.058174 343.7166 1.928131 344.1987 2.709057 344.6808 3.064293 345.1629 3.623489 345.6450 4.606907 346.1271 5.806103 346.6093 6.960159 347.0914 7.965473 347.5735 8.959160 348.0556 10.24217 348.5377 12.33887 349.0198 13.72481 349.5020 14.24949 349.9841 14.29105 350.4662 13.93219 350.9483 13.28635 351.4304 12.60730 351.9125 12.16386 352.3947 11.97527 352.8768 11.90491 353.3589 12.17031 353.8410 12.34197 354.3231 12.26642 354.8052 11.97409 355.2874 11.51482 355.7695 10.87075 356.2516 10.13745 356.7337 9.875759 357.2158 10.61098 357.6979 11.11476 358.1800 11.00988 358.6621 10.64206 359.1443 10.31526 359.6264 10.14701 360.1085 10.23579 360.5906 10.80540 361.0727 12.03760 361.5548 13.29044 362.0370 14.43424 362.5191 15.62200 363.0012 17.06394 363.4833 18.72276 363.9654 20.23972 364.4475 21.16552 364.9297 21.45147 365.4118 22.00729 365.8939 23.65051 366.3760 24.61976 366.8581 23.90511 367.3402 22.03064 367.8224 20.10033 368.3045 18.81186 368.7866 17.88075 369.2687 16.37532 369.7508 13.92994 370.2329 11.73104 370.7151 10.13366 371.1972 8.971962 371.6793 8.167103 372.1614 7.720730 372.6435 7.339527 373.1256 6.669388 373.6078 5.734844 374.0899 4.955551 374.5720 4.413933 375.0541 4.042130 375.5362 3.826012 376.0183 3.749363 376.5005 3.703487 376.9826 3.603268 377.4647 3.468792 377.9468 3.411308 378.4289 3.493080 378.9110 3.537254 379.3932 3.410213 379.8753 3.156849 380.3574 2.843693 380.8395 2.425510 381.3216 2.016479 381.8037 1.783249 382.2859 1.728615 382.7680 1.668304 383.2501 1.462360 383.7322 1.252251 384.2143 1.304764 384.6964 1.740536 385.1786 2.028816 385.6607 1.777306 386.1428 1.144314 386.6249 0.5109710 387.1070 6.8432003E-02 387.5891 0.5289380 388.0713 0.7499010 388.5534 0.7549860 389.0355 0.7190930 389.5176 0.6347350 389.9997 0.5515710 390.4818 0.5371740 390.9640 0.5892910 391.4461 0.6107560 391.9282 0.4936450 392.4103 0.2993160 392.8924 0.3335080 393.3745 0.9875300 393.8567 1.425037 394.3388 1.090137 394.8209 0.3322790 395.3030 0.1233630 395.7851 1.5736001E-02 396.2672 0.4026180 396.7494 0.4028320 397.2315 0.2441440 397.7136 0.6563640 398.1957 0.6877140 398.6778 0.5459400 399.1599 0.3833920 399.6420 0.2234310 400.1241 8.8919997E-03 400.6063 0.3498420 401.0884 0.8697090 401.5705 0.9793430 402.0526 0.2416760 402.5347 0.3624950 403.0168 0.4693110 403.4990 0.2580600 403.9811 1.2207000E-02 404.4632 0.1335450 404.9453 0.1862950 405.4274 0.1601940 405.9095 4.4151001E-02 406.3917 0.1432760 406.8738 0.4573710 407.3559 0.7930300 407.8380 1.055496 408.3201 1.247696 408.8022 1.467949 409.2844 1.852837 409.7665 2.423622 410.2486 2.776268 410.7307 2.493675 411.2128 2.450294 411.6949 3.031921 412.1771 3.994068 412.6592 4.940117 413.1413 5.675026 413.6234 6.287106 414.1055 7.004017 414.5876 7.937599 415.0698 8.640751 415.5519 8.628323 416.0340 8.601395 416.5161 8.998085 416.9982 9.884018 417.4803 11.13153 417.9625 12.89111 418.4446 15.02913 418.9267 16.53909 419.4088 16.84535 419.8909 17.43790 420.3730 19.34380 420.8552 22.18903 421.3373 25.27179 421.8194 28.36024 422.3015 31.57612 422.7836 35.05828 423.2657 38.80000 423.7479 42.80404 424.2300 47.29248 424.7121 51.83522 425.1942 55.84687 425.6763 59.29516 426.1584 62.38088 426.6406 65.73763 427.1227 68.63765 427.6048 69.79243 428.0869 68.97209 428.5690 66.76604 429.0511 63.57400 429.5333 59.30537 430.0154 54.52992 430.4975 48.32243 430.9796 42.47191 431.4617 38.19200 431.9438 35.10443 432.4260 32.10362 432.9081 28.66116 433.3902 25.12339 433.8723 22.33426 434.3544 20.69638 434.8365 19.20055 435.3187 17.94027 435.8008 16.72595 436.2829 15.26822 436.7650 13.62356 437.2471 12.24251 437.7292 11.58165 438.2114 11.65854 438.6935 11.66521 439.1756 11.79923 439.6577 11.63699 440.1398 10.87506 440.6219 9.824646 441.1040 8.826111 441.5862 8.028328 442.0683 7.518093 442.5504 7.559593 443.0325 8.432220 443.5146 8.993202 443.9967 8.793858 444.4789 8.548061 444.9610 8.545483 445.4431 8.801533 445.9252 9.268906 446.4073 10.09671 446.8894 11.08905 447.3716 11.36398 447.8537 10.56538 448.3358 10.02243 448.8179 10.25499 449.3000 10.90083 449.7821 11.74256 450.2643 12.79490 450.7464 13.88786 451.2285 14.76087 451.7106 15.52547 452.1927 16.64901 452.6748 18.37058 453.1570 20.19339 453.6391 21.73158 454.1212 22.94659 454.6033 23.57680 455.0854 23.60642 455.5675 23.02423 456.0497 21.50278 456.5318 19.26165 457.0139 17.33268 457.4960 16.22209 457.9781 15.65030 458.4602 14.99428 458.9424 14.30523 459.4245 13.45022 459.9066 12.11824 460.3887 10.83784 460.8708 10.17055 461.3529 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488.3514 35.68700 488.8336 35.46247 489.3157 34.90496 489.7978 33.98463 490.2799 32.65498 490.7620 30.93529 491.2441 28.89265 491.7263 26.48115 492.2084 23.80270 492.6905 21.32556 493.1726 19.02812 493.6547 16.99961 494.1368 15.58178 494.6190 14.31989 495.1011 12.63072 495.5832 10.33340 496.0653 8.265686 496.5474 7.241127 497.0295 6.966358 497.5117 6.576260 497.9938 5.936256 498.4759 5.209553 498.9580 4.478001 499.4401 3.758453 499.9222 3.132584 500.4044 2.598118 500.8865 2.163570 501.3686 1.891197 501.8507 1.712074 502.3328 1.442070 502.8149 1.013119 503.2971 0.6224590 503.7792 0.6066400 504.2613 1.224232 504.7434 1.239906 505.2255 0.1033970 505.7076 1.235317 506.1898 1.214916 506.6719 0.4283640 507.1540 0.2940900 507.6361 0.5240750 508.1182 0.3778840 508.6003 9.2316002E-02 509.0825 0.3993150 509.5646 0.8519630 510.0467 1.355125 510.5288 1.717075 511.0109 1.783722 511.4930 1.601234 511.9752 1.342312 512.4573 1.034843 512.9394 0.7730790 513.4215 0.9013750 513.9036 1.536312 514.3857 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