#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:22:51 +0300 (Thu, 24 May 2018) $ #$Revision: 693 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000206.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_1000206 loop_ _publ_author_name 'Geiger, C. A.' 'Armbruster, T.' 'Lager, G. A.' 'Jiang, K.' 'Lottermoser, W.' 'Amthauer, G.' _publ_section_title ; A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 293 K (B) ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 121 _journal_page_last 126 _journal_volume 19 _journal_year 1992 _chemical_compound_source R060099 _chemical_formula_sum 'Al2 Fe3 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 11.525 _cell_length_b 11.525 _cell_length_c 11.525 _cell_volume 1530.815 _diffrn_ambient_temperature 293 _exptl_crystal_density_diffrn 4.319 _cod_original_formula_sum 'Fe3 Al2 Si3 O12' _cod_database_code 9006109 _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 R060099.rod _rod_data_source.block 3500000 _rod_database.code 1000206 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 9006109 COD http://www.crystallography.net/cod/9006109.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 141.0473 0.0000000E+00 141.5294 0.5580060 142.0115 0.1307450 142.4937 0.4791490 142.9758 1.371925 143.4579 2.338219 143.9400 3.445236 144.4221 3.987167 144.9042 3.577751 145.3864 2.785339 145.8685 2.588448 146.3506 3.103790 146.8327 4.027138 147.3148 5.275261 147.7969 6.842819 148.2791 8.677567 148.7612 10.93739 149.2433 13.42741 149.7254 15.74751 150.2075 17.82858 150.6896 19.78717 151.1718 21.65377 151.6539 23.29738 152.1360 25.13634 152.6181 27.28395 153.1002 29.62644 153.5823 31.86063 154.0645 33.92484 154.5466 35.92638 155.0287 37.91453 155.5108 40.04560 155.9929 42.02097 156.4750 43.69582 156.9572 45.14487 157.4393 46.63681 157.9214 48.03378 158.4035 49.62164 158.8856 51.58055 159.3677 54.74933 159.8499 57.50460 160.3320 58.97865 160.8141 59.48305 161.2962 60.94283 161.7783 64.20670 162.2604 67.84586 162.7426 70.91898 163.2247 72.84027 163.7068 74.86306 164.1889 77.26891 164.6710 79.48600 165.1531 81.95814 165.6353 85.56738 166.1174 89.64151 166.5995 93.47578 167.0816 96.92284 167.5637 99.98426 168.0458 102.9841 168.5280 105.8892 169.0101 107.6235 169.4922 107.9557 169.9743 106.6040 170.4564 103.1415 170.9385 96.48375 171.4207 88.19584 171.9028 79.09930 172.3849 69.20625 172.8670 59.89899 173.3491 52.31708 173.8312 46.00767 174.3134 40.08427 174.7955 33.94662 175.2776 28.12005 175.7597 23.25063 176.2418 19.35081 176.7239 16.29707 177.2061 14.25397 177.6882 12.93137 178.1703 11.57834 178.6524 9.781937 179.1345 7.712074 179.6166 5.568817 180.0988 3.281502 180.5809 1.244637 181.0630 7.4326001E-02 181.5451 0.7635190 182.0272 1.119255 182.5093 1.173340 182.9915 1.018044 183.4736 0.8476410 183.9557 0.6539920 184.4378 0.5189900 184.9199 0.5778880 185.4020 0.8112640 185.8842 1.080910 186.3663 1.477905 186.8484 1.881905 187.3305 1.764442 187.8126 0.9819640 188.2947 6.0927998E-02 188.7769 0.7302700 189.2590 1.041237 189.7411 1.293564 190.2232 1.576332 190.7053 1.914261 191.1874 2.479073 191.6696 3.302879 192.1517 4.339394 192.6338 5.602211 193.1159 7.102676 193.5980 8.520264 194.0801 9.551338 194.5623 10.23322 195.0444 11.18932 195.5265 12.49786 196.0086 14.08026 196.4907 15.80926 196.9728 17.74845 197.4550 19.49739 197.9371 20.65910 198.4192 21.24635 198.9013 22.36795 199.3834 24.28653 199.8655 26.68832 200.3477 29.01457 200.8298 31.34299 201.3119 33.34346 201.7940 34.65930 202.2761 35.19740 202.7582 36.09929 203.2404 37.47972 203.7225 39.31126 204.2046 41.58154 204.6867 44.41737 205.1688 47.12041 205.6509 49.15135 206.1331 50.39713 206.6152 51.97523 207.0973 54.13737 207.5794 56.64035 208.0615 58.60896 208.5436 59.82930 209.0258 60.94536 209.5079 62.53008 209.9900 64.85155 210.4721 66.41266 210.9542 66.95773 211.4363 66.71539 211.9185 66.39770 212.4006 65.96911 212.8827 65.45842 213.3648 64.99344 213.8469 64.72425 214.3290 64.07172 214.8112 62.89966 215.2933 61.24865 215.7754 59.35241 216.2575 57.10646 216.7396 54.83945 217.2217 52.74368 217.7039 50.82612 218.1860 49.10722 218.6681 47.72697 219.1502 46.51579 219.6323 44.94113 220.1144 42.96755 220.5966 40.72484 221.0787 38.22169 221.5608 35.23473 222.0429 32.60672 222.5250 30.40601 223.0071 28.60699 223.4893 27.21666 223.9714 26.34504 224.4535 25.69274 224.9356 25.17405 225.4177 25.07096 225.8998 24.38622 226.3820 22.83076 226.8641 20.68493 227.3462 18.92371 227.8283 17.48358 228.3104 16.51994 228.7925 16.23576 229.2747 17.15746 229.7568 17.53352 230.2389 17.10556 230.7210 16.12603 231.2031 15.40155 231.6852 14.99881 232.1674 14.75029 232.6495 14.63895 233.1316 14.92593 233.6137 14.72038 234.0958 13.69051 234.5779 12.22201 235.0601 11.49048 235.5422 12.06562 236.0243 12.54294 236.5064 12.21153 236.9885 10.43622 237.4706 9.277695 237.9528 8.955673 238.4349 9.186028 238.9170 9.343307 239.3991 9.614250 239.8812 9.564812 240.3633 8.914574 240.8455 7.180130 241.3276 6.134468 241.8097 6.154785 242.2918 6.733444 242.7739 6.714020 243.2560 5.682503 243.7382 4.664162 244.2203 4.071945 244.7024 4.121651 245.1845 4.008331 245.6666 3.652504 246.1487 3.250114 246.6309 3.145004 247.1130 3.563248 247.5951 3.851509 248.0772 3.768982 248.5593 3.241104 249.0414 2.580498 249.5236 1.588051 250.0057 0.5795360 250.4878 0.1080930 250.9699 0.4725040 251.4520 0.8416900 251.9341 0.9450840 252.4163 0.7292860 252.8984 0.5235060 253.3805 0.3738170 253.8626 0.1960680 254.3447 0.1695100 254.8268 0.9101100 255.3090 1.468491 255.7911 1.682434 256.2732 1.535866 256.7553 1.163727 257.2374 0.3930970 257.7195 0.4358060 258.2017 0.8973620 258.6838 0.8901750 259.1659 0.7577210 259.6480 0.5842130 260.1301 0.3741530 260.6122 2.0900001E-03 261.0944 0.7054290 261.5765 1.376137 262.0586 1.569939 262.5407 1.065201 263.0228 0.6933820 263.5049 0.6371840 263.9871 0.8868870 264.4692 1.284477 264.9513 1.976128 265.4334 2.587158 265.9155 2.717224 266.3976 2.199097 266.8798 1.762383 267.3619 1.545975 267.8440 1.525246 268.3261 1.554260 268.8082 1.695015 269.2903 1.756454 269.7725 1.487984 270.2546 0.7503590 270.7367 0.3925480 271.2188 0.7351380 271.7009 1.515923 272.1830 1.516876 272.6652 0.4913100 273.1473 0.6359860 273.6294 1.271492 274.1115 1.369514 274.5936 1.156662 275.0757 0.4963380 275.5579 0.3520580 276.0400 0.5700230 276.5221 4.6096999E-02 277.0042 0.6529620 277.4863 1.249306 277.9684 1.745850 278.4506 2.079720 278.9327 2.225632 279.4148 2.234390 279.8969 2.151237 280.3790 1.945473 280.8611 1.868500 281.3433 2.072731 281.8254 2.559174 282.3075 3.160927 282.7896 3.938484 283.2717 4.696854 283.7538 5.058067 284.2360 5.006592 284.7181 4.978157 285.2002 5.273544 285.6823 5.825775 286.1644 5.882858 286.6465 5.301468 287.1287 4.736931 287.6108 5.253952 288.0929 6.781540 288.5750 8.024628 289.0571 8.319939 289.5392 7.942825 290.0214 7.931206 290.5035 8.288383 290.9856 8.959534 291.4677 10.11862 291.9498 11.65703 292.4319 12.85837 292.9141 13.46313 293.3962 13.63028 293.8783 13.51835 294.3604 13.12050 294.8425 13.04140 295.3246 14.08307 295.8068 15.92726 296.2889 17.46535 296.7710 18.35651 297.2531 18.93438 297.7352 19.68266 298.2173 20.59103 298.6995 21.61063 299.1816 22.77621 299.6637 24.01655 300.1458 25.12695 300.6279 26.02544 301.1100 26.90337 301.5922 27.96210 302.0743 29.18789 302.5564 30.52390 303.0385 31.75778 303.5206 33.14017 304.0027 35.19212 304.4849 38.09904 304.9670 41.09459 305.4491 43.36494 305.9312 45.12529 306.4133 46.89278 306.8954 48.60943 307.3776 50.63493 307.8597 53.51030 308.3418 57.35797 308.8239 61.15290 309.3060 63.75851 309.7881 65.86949 310.2703 68.49742 310.7524 72.36773 311.2345 76.70598 311.7166 81.08615 312.1987 85.47207 312.6808 89.55071 313.1630 93.47083 313.6451 96.94962 314.1272 99.71370 314.6093 101.4033 315.0914 102.6104 315.5735 103.2491 316.0557 103.4336 316.5378 103.9457 317.0199 105.3300 317.5020 107.0393 317.9841 108.6454 318.4662 109.5116 318.9484 110.9912 319.4305 113.9676 319.9126 117.9671 320.3947 121.7165 320.8768 124.1219 321.3589 126.6915 321.8411 130.2004 322.3232 134.9194 322.8053 140.0222 323.2874 145.7383 323.7695 151.7047 324.2516 157.3398 324.7338 161.2049 325.2159 165.9348 325.6980 172.8235 326.1801 182.7295 326.6622 191.2190 327.1443 196.5114 327.6265 200.9693 328.1086 207.0045 328.5907 216.4036 329.0728 225.2752 329.5549 232.8269 330.0370 239.1102 330.5192 245.7227 331.0013 253.0669 331.4834 260.3802 331.9655 267.2126 332.4476 273.3496 332.9297 279.3595 333.4119 284.9249 333.8940 290.3279 334.3761 296.8562 334.8582 304.8097 335.3403 313.1416 335.8224 321.1721 336.3046 328.4621 336.7867 336.8173 337.2688 346.4139 337.7509 357.0247 338.2330 368.4318 338.7151 380.5292 339.1973 393.5192 339.6794 407.8047 340.1615 423.3223 340.6436 438.8495 341.1257 454.1294 341.6078 469.6516 342.0900 486.1691 342.5721 503.4568 343.0542 521.1702 343.5363 539.4440 344.0184 557.8600 344.5005 575.5436 344.9827 592.5719 345.4648 607.3026 345.9469 618.1317 346.4290 625.2480 346.9111 629.1755 347.3932 630.1800 347.8754 627.9528 348.3575 622.0593 348.8396 612.4956 349.3217 598.8098 349.8038 579.3721 350.2859 555.7310 350.7681 531.3270 351.2502 506.3411 351.7323 481.4062 352.2144 457.0295 352.6965 433.1580 353.1786 410.3438 353.6608 388.7140 354.1429 368.3370 354.6250 349.0512 355.1071 330.8286 355.5892 314.5569 356.0714 301.4220 356.5535 290.5807 357.0356 280.7857 357.5177 271.2605 357.9998 262.8976 358.4819 256.8100 358.9641 252.6821 359.4462 249.2142 359.9283 245.5112 360.4104 242.3314 360.8925 240.3614 361.3746 240.1826 361.8568 240.4536 362.3389 240.6026 362.8210 240.8022 363.3031 241.4464 363.7852 243.0576 364.2673 244.8843 364.7495 246.4537 365.2316 247.4333 365.7137 248.7618 366.1958 250.9765 366.6779 253.5547 367.1600 255.8927 367.6422 257.8292 368.1243 259.6179 368.6064 261.4208 369.0885 263.2652 369.5706 264.5572 370.0527 265.7551 370.5349 266.0658 371.0170 264.9347 371.4991 261.8199 371.9812 258.2314 372.4633 254.3707 372.9454 250.0849 373.4276 244.9540 373.9097 238.9306 374.3918 232.0366 374.8739 224.3327 375.3560 215.5987 375.8381 206.6707 376.3203 197.6489 376.8024 188.4345 377.2845 178.7402 377.7666 168.4964 378.2487 158.5437 378.7308 149.3808 379.2130 140.8257 379.6951 132.5330 380.1772 124.4198 380.6593 116.6262 381.1414 109.1733 381.6235 102.1120 382.1057 95.24505 382.5878 88.51727 383.0699 82.08176 383.5520 76.35426 384.0341 71.24251 384.5162 66.34400 384.9984 61.04733 385.4805 55.77556 385.9626 51.53448 386.4447 48.54755 386.9268 45.91750 387.4089 42.73000 387.8911 39.18481 388.3732 35.80727 388.8553 32.76872 389.3374 30.03101 389.8195 27.72473 390.3016 25.84837 390.7838 23.91479 391.2659 21.38066 391.7480 18.76432 392.2301 16.62828 392.7122 15.42752 393.1943 14.32323 393.6765 12.80322 394.1586 11.05765 394.6407 9.654648 395.1228 9.106590 395.6049 8.687881 396.0870 7.975899 396.5692 6.761749 397.0513 5.801521 397.5334 5.556221 398.0155 5.537521 398.4976 5.139542 398.9797 3.543045 399.4619 2.370651 399.9440 2.129639 400.4261 2.812698 400.9082 3.101158 401.3903 2.774368 401.8724 2.259148 402.3546 1.818283 402.8367 1.501984 403.3188 1.157684 403.8009 0.7588500 404.2830 0.3351670 404.7651 5.1337998E-02 405.2473 0.4133150 405.7294 0.6862180 406.2115 0.8066410 406.6936 0.7657700 407.1757 0.8386080 407.6578 1.065773 408.1400 1.295921 408.6221 1.328186 409.1042 1.167068 409.5863 1.032127 410.0684 0.9731290 410.5505 0.9837720 411.0327 1.071899 411.5148 1.235901 411.9969 1.403877 412.4790 1.512817 412.9611 1.590767 413.4432 1.683144 413.9254 1.780525 414.4075 1.959099 414.8896 2.490768 415.3717 3.178833 415.8538 3.552956 416.3359 3.130569 416.8181 2.456238 417.3002 2.018875 417.7823 1.819786 418.2644 1.648369 418.7465 1.357460 419.2286 1.041801 419.7108 0.7909470 420.1929 0.5813520 420.6750 0.5022350 421.1571 0.9418560 421.6392 1.569435 422.1213 1.510124 422.6035 0.3362880 423.0856 2.169777 423.5677 3.194756 424.0498 3.082314 424.5319 3.105743 425.0140 3.366257 425.4962 3.808830 425.9783 4.396698 426.4604 5.419044 426.9425 6.160889 427.4246 6.426392 427.9067 6.296074 428.3889 6.319824 428.8710 6.573257 429.3531 6.847458 429.8352 6.992912 430.3173 6.944046 430.7994 7.102524 431.2816 7.515678 431.7637 8.074898 432.2458 8.686180 432.7279 9.366913 433.2100 9.768517 433.6921 9.622276 434.1743 9.121994 434.6564 9.036888 435.1385 9.377533 435.6206 9.758430 436.1027 9.736992 436.5848 9.494209 437.0670 9.591370 437.5491 10.26569 438.0312 10.98087 438.5133 11.00110 438.9954 10.55276 439.4775 10.26199 439.9597 10.69756 440.4418 11.28097 440.9239 11.51283 441.4060 11.36524 441.8881 11.01279 442.3702 10.29176 442.8524 9.539391 443.3345 9.078644 443.8166 9.209946 444.2987 9.391594 444.7808 9.549889 445.2629 9.642616 445.7451 9.546394 446.2272 9.128212 446.7093 8.610069 447.1914 8.009583 447.6735 7.198555 448.1556 6.739853 448.6378 6.697014 449.1199 6.965729 449.6020 7.542892 450.0841 8.873222 450.5662 9.531509 451.0483 9.119064 451.5305 7.876373 452.0126 6.839851 452.4947 5.976089 452.9768 5.395210 453.4589 5.210602 453.9410 5.430779 454.4232 5.731216 454.9053 6.150841 455.3874 6.506248 455.8695 6.578545 456.3516 6.378929 456.8337 5.970314 457.3159 5.200378 457.7980 4.373741 458.2801 4.073013 458.7622 4.250679 459.2443 4.571167 459.7264 4.842255 460.2086 5.107689 460.6907 5.426270 461.1728 5.798920 461.6549 6.195084 462.1370 6.606438 462.6191 7.039146 463.1013 7.507233 463.5834 8.129402 464.0655 8.677261 464.5476 8.976120 465.0297 9.051201 465.5118 9.219719 465.9940 9.722023 466.4761 10.29058 466.9582 10.76215 467.4403 10.91634 467.9224 11.22987 468.4045 11.74786 468.8867 12.43458 469.3688 13.21976 469.8509 13.98164 470.3330 14.98003 470.8151 16.37980 471.2972 18.12122 471.7794 19.51582 472.2615 20.47311 472.7436 21.34645 473.2257 22.38074 473.7078 23.60573 474.1899 24.95676 474.6721 26.49921 475.1542 28.05041 475.6363 29.24974 476.1184 30.16443 476.6005 31.27298 477.0826 33.18596 477.5648 35.14838 478.0469 35.73907 478.5290 35.07071 479.0111 34.20836 479.4932 34.11470 479.9753 34.20679 480.4575 33.82685 480.9396 32.68040 481.4217 31.25830 481.9038 29.77631 482.3859 28.26302 482.8680 26.77811 483.3502 25.07950 483.8323 23.66502 484.3144 22.65083 484.7965 22.05746 485.2786 21.96183 485.7607 22.72681 486.2429 23.71995 486.7250 24.58241 487.2071 24.93572 487.6892 25.95798 488.1713 27.84471 488.6534 30.26270 489.1356 32.80135 489.6177 35.52551 490.0998 38.20992 490.5819 40.73433 491.0640 43.22900 491.5461 46.37312 492.0283 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