#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:34:19 +0300 (Thu, 24 May 2018) $ #$Revision: 902 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000380.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_1000380 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 R060450 _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 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 R060450.rod _rod_data_source.block 3500000 _rod_database.code 1000380 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 94.61664 0.0000000E+00 95.09875 6.5861002E-02 95.58087 4.7577001E-02 96.06299 0.1679000 96.54510 0.6041870 97.02721 0.9815860 97.50933 1.363258 97.99145 1.661285 98.47356 1.830818 98.95568 1.731289 99.43780 1.304474 99.91991 1.121708 100.4020 1.144329 100.8841 1.218004 101.3663 1.442024 101.8484 1.475792 102.3305 1.492643 102.8126 1.478157 103.2947 1.485598 103.7768 1.347658 104.2590 0.9785080 104.7411 0.6013110 105.2232 0.4214670 105.7053 0.5090270 106.1874 0.6503220 106.6695 0.5211120 107.1517 0.1555710 107.6338 7.3252000E-02 108.1159 0.1430490 108.5980 6.7991003E-02 109.0801 0.1088790 109.5622 3.7661001E-02 110.0444 2.7840000E-02 110.5265 0.1289480 111.0086 0.4453700 111.4907 0.7969250 111.9728 1.011124 112.4549 1.064857 112.9371 1.006456 113.4192 0.7280350 113.9013 0.4163150 114.3834 0.2012160 114.8655 0.1264040 115.3476 0.1541230 115.8298 0.1931900 116.3119 0.2786770 116.7940 0.3482740 117.2761 0.4058480 117.7582 0.4427320 118.2403 0.4483680 118.7225 0.4164870 119.2046 0.3482670 119.6867 0.2566510 120.1688 2.3668000E-02 120.6509 0.1152920 121.1330 2.8682999E-02 121.6152 0.3790930 122.0973 0.6344010 122.5794 0.5024570 123.0615 1.7200000E-04 123.5436 0.2151780 124.0257 0.1420140 124.5079 0.6256750 124.9900 0.7636380 125.4721 0.4691050 125.9542 0.1503120 126.4363 0.2664130 126.9184 0.6603580 127.4006 0.9802570 127.8827 0.9891950 128.3648 0.8097500 128.8469 0.8451690 129.3290 1.297710 129.8111 1.732702 130.2932 1.884281 130.7754 1.796349 131.2575 1.632324 131.7396 1.506708 132.2217 1.421774 132.7038 1.365007 133.1859 1.299450 133.6681 1.292326 134.1502 1.393787 134.6323 1.599213 135.1144 1.854446 135.5965 2.082449 136.0786 2.227961 136.5608 2.469240 137.0429 2.936829 137.5250 3.405697 138.0071 3.689329 138.4892 3.736769 138.9713 3.646505 139.4535 3.620085 139.9356 3.764185 140.4177 3.829975 140.8998 3.658743 141.3819 3.428650 141.8640 3.415583 142.3462 3.736273 142.8283 4.285944 143.3104 4.678925 143.7925 4.956890 144.2746 5.052055 144.7567 4.739481 145.2388 4.141178 145.7210 3.798832 146.2031 4.114557 146.6852 4.773542 147.1673 5.113413 147.6494 4.954792 148.1315 4.701729 148.6137 4.765347 149.0958 5.194347 149.5779 5.598686 150.0600 5.764004 150.5421 5.816288 151.0242 5.850079 151.5064 5.875196 151.9885 5.926426 152.4706 6.166985 152.9527 6.620449 153.4348 7.001909 153.9169 7.084019 154.3991 7.091940 154.8812 7.333569 155.3633 8.024746 155.8454 9.062901 156.3275 9.818928 156.8096 10.21594 157.2918 10.35443 157.7739 10.01719 158.2560 9.446190 158.7381 9.027180 159.2202 9.049383 159.7023 9.522926 160.1845 10.09199 160.6666 10.98038 161.1487 11.74308 161.6308 12.15283 162.1129 12.26211 162.5950 12.28148 163.0772 12.38113 163.5593 12.57233 164.0414 12.87571 164.5235 13.29382 165.0056 13.80005 165.4877 14.41704 165.9698 15.14351 166.4520 15.86459 166.9341 16.41667 167.4162 16.80414 167.8983 17.35390 168.3804 18.19774 168.8625 19.20307 169.3447 20.20293 169.8268 21.16056 170.3089 22.14469 170.7910 23.37074 171.2731 24.74557 171.7552 25.81978 172.2374 26.55283 172.7195 26.84162 173.2016 26.35639 173.6837 24.79597 174.1658 22.78267 174.6479 20.66365 175.1301 18.48841 175.6122 16.42531 176.0943 14.57735 176.5764 12.94504 177.0585 11.55505 177.5406 10.55350 178.0228 9.685598 178.5049 8.843136 178.9870 8.036283 179.4691 7.300497 179.9512 6.696888 180.4333 6.270264 180.9155 5.735643 181.3976 4.949741 181.8797 4.194429 182.3618 3.556171 182.8439 3.046906 183.3260 2.647804 183.8082 2.358454 184.2903 2.266039 184.7724 2.070620 185.2545 1.624744 185.7366 1.204546 186.2187 1.034258 186.7009 1.135157 187.1830 1.318153 187.6651 1.302168 188.1472 0.9226910 188.6293 0.6770950 189.1114 0.6681120 189.5936 0.7307510 190.0757 0.6909850 190.5578 0.5062940 191.0399 0.3168450 191.5220 0.3635640 192.0041 0.7459470 192.4863 1.092737 192.9684 1.327452 193.4505 1.517366 193.9326 1.761211 194.4147 2.097586 194.8968 2.464308 195.3790 2.714827 195.8611 2.808968 196.3432 2.982330 196.8253 3.408630 197.3074 3.986021 197.7895 4.464392 198.2717 4.747435 198.7538 4.960209 199.2359 5.268444 199.7180 5.668867 200.2001 6.055016 200.6822 6.340302 201.1644 6.562254 201.6465 6.906868 202.1286 7.466036 202.6107 8.130821 203.0928 8.800961 203.5749 9.470905 204.0571 10.11108 204.5392 10.67755 205.0213 11.16339 205.5034 11.67590 205.9855 12.25029 206.4676 12.84541 206.9497 13.48785 207.4319 14.15892 207.9140 14.73142 208.3961 15.05985 208.8782 15.11894 209.3603 15.10114 209.8424 14.99479 210.3246 14.82734 210.8067 14.62664 211.2888 14.38628 211.7709 14.06054 212.2530 13.59453 212.7351 12.98173 213.2173 12.24621 213.6994 11.27641 214.1815 10.28441 214.6636 9.362759 215.1457 8.536297 215.6278 7.781063 216.1100 7.061584 216.5921 6.338295 217.0742 5.766953 217.5563 5.423431 218.0384 5.140350 218.5205 4.861446 219.0027 4.554214 219.4848 4.151409 219.9669 3.543013 220.4490 2.560265 220.9311 1.805651 221.4132 1.284758 221.8954 0.9535810 222.3775 0.8709470 222.8596 1.012680 223.3417 1.168158 223.8238 1.051121 224.3059 0.4914670 224.7881 0.1228790 225.2702 0.1165450 225.7523 0.1950780 226.2344 8.2603000E-02 226.7165 0.2649780 227.1986 0.6246090 227.6807 0.6887340 228.1629 0.3608780 228.6450 0.2384700 229.1271 0.5940320 229.6092 1.052998 230.0913 1.208618 230.5734 0.9836850 231.0556 0.6178340 231.5377 0.3583390 232.0198 0.2037910 232.5019 5.3854000E-02 232.9840 0.1418650 233.4661 0.3253880 233.9483 0.4112930 234.4304 0.3781130 234.9125 0.3114590 235.3946 0.2820950 235.8767 0.2853570 236.3588 0.3154370 236.8410 0.3100830 237.3231 0.3510840 237.8052 0.6501370 238.2873 1.331158 238.7694 1.889372 239.2515 1.779375 239.7337 1.232347 240.2158 0.7148670 240.6979 0.3375990 241.1800 0.1002160 241.6621 4.0096000E-02 242.1442 0.2201730 242.6264 0.4080070 243.1085 0.4510880 243.5906 0.4020080 244.0727 0.3341960 244.5548 0.2300010 245.0369 0.1494310 245.5191 0.2564350 246.0012 0.6448880 246.4833 0.9835260 246.9654 1.157503 247.4475 1.189869 247.9296 1.064610 248.4117 0.6943720 248.8939 0.2340150 249.3760 8.4248997E-02 249.8581 0.4435520 250.3402 0.7182410 250.8223 0.6869390 251.3044 0.4702240 251.7866 0.1554510 252.2687 0.2574250 252.7508 0.6591630 253.2329 0.7675320 253.7150 0.3905980 254.1971 0.1082290 254.6793 0.1060310 255.1614 0.2307150 255.6435 0.3589530 256.1256 0.4461150 256.6077 0.4732720 257.0898 0.3693560 257.5720 1.8193999E-02 258.0541 0.2262230 258.5362 0.1200490 259.0183 0.1236210 259.5004 0.3921340 259.9825 0.6410790 260.4647 0.8347530 260.9468 0.9108330 261.4289 0.8769450 261.9110 0.6884080 262.3931 0.1656700 262.8752 0.3755660 263.3574 0.6837140 263.8395 0.6971240 264.3216 0.5349960 264.8037 0.3758070 265.2858 0.2050420 265.7679 6.9927000E-02 266.2501 9.5375001E-02 266.7322 0.1876450 267.2143 7.5018004E-02 267.6964 0.2341520 268.1785 0.5667710 268.6606 0.6755500 269.1428 0.4229740 269.6249 0.3023450 270.1070 0.3818820 270.5891 0.5118140 271.0712 0.6360450 271.5533 0.7301520 272.0355 0.7615070 272.5176 0.6788980 272.9997 0.4296970 273.4818 0.2996030 273.9639 0.2361110 274.4460 0.3072280 274.9282 0.6828560 275.4103 1.271919 275.8924 1.739363 276.3745 1.742258 276.8566 1.195595 277.3387 1.011892 277.8208 1.531878 278.3029 1.999105 278.7851 2.037386 279.2672 1.727741 279.7493 1.373127 280.2314 1.190609 280.7135 1.175619 281.1956 1.197182 281.6778 1.190926 282.1599 1.275084 282.6420 1.606739 283.1241 2.067057 283.6062 2.349977 284.0883 2.235739 284.5705 1.805056 285.0526 1.622551 285.5347 1.943830 286.0168 2.234228 286.4989 2.280474 286.9810 2.176912 287.4632 2.156464 287.9453 2.367184 288.4274 2.706753 288.9095 2.815283 289.3916 2.482548 289.8737 2.225294 290.3559 2.076885 290.8380 2.064104 291.3201 2.258413 291.8022 2.689705 292.2843 3.224550 292.7664 3.628021 293.2486 3.830849 293.7307 4.066401 294.2128 4.472507 294.6949 4.868683 295.1770 5.019361 295.6591 4.872015 296.1413 4.624516 296.6234 4.503490 297.1055 4.514629 297.5876 4.696653 298.0697 5.200504 298.5518 5.782906 299.0340 6.280512 299.5161 6.660431 299.9982 6.880518 300.4803 6.825441 300.9624 6.461535 301.4445 6.401316 301.9267 6.874657 302.4088 7.456871 302.8909 7.887035 303.3730 8.164078 303.8551 8.411785 304.3372 8.710951 304.8194 9.059059 305.3015 9.418400 305.7836 9.814285 306.2657 10.19717 306.7478 10.42844 307.2299 10.60694 307.7121 11.05989 308.1942 12.01212 308.6763 13.29749 309.1584 14.31099 309.6405 14.78885 310.1227 15.43526 310.6048 16.55124 311.0869 17.98714 311.5690 19.50569 312.0511 21.03330 312.5332 22.45984 313.0154 23.51148 313.4975 24.07390 313.9796 24.69684 314.4617 25.63112 314.9438 26.63900 315.4259 27.41621 315.9081 27.87152 316.3902 28.13102 316.8723 28.31338 317.3544 28.39510 317.8365 28.51266 318.3186 28.63559 318.8007 28.83254 319.2828 29.18366 319.7650 29.69980 320.2471 30.28407 320.7292 30.75381 321.2113 31.13500 321.6934 32.06786 322.1755 33.90739 322.6577 35.97368 323.1398 37.83563 323.6219 39.53397 324.1040 41.36543 324.5861 43.49152 325.0682 45.91154 325.5504 48.47458 326.0325 51.29271 326.5146 54.11030 326.9967 56.72838 327.4788 59.28807 327.9609 62.15212 328.4431 65.51781 328.9252 69.15998 329.4073 72.56303 329.8894 75.63161 330.3715 78.71024 330.8536 82.03922 331.3358 85.33492 331.8179 88.21881 332.3000 90.58977 332.7821 92.62961 333.2642 94.53189 333.7463 96.19944 334.2285 98.11594 334.7106 100.5240 335.1927 103.0200 335.6748 105.3069 336.1569 107.3419 336.6390 109.2286 337.1212 110.9577 337.6033 112.5305 338.0854 114.7118 338.5675 117.5749 339.0496 120.9100 339.5317 124.6637 340.0139 128.8198 340.4960 133.2764 340.9781 137.9326 341.4602 142.8814 341.9423 148.6270 342.4244 155.1794 342.9066 162.3535 343.3887 170.3259 343.8708 178.8535 344.3529 187.6617 344.8350 196.6213 345.3171 205.5687 345.7993 214.1975 346.2814 222.9361 346.7635 230.4472 347.2456 236.8972 347.7277 241.9528 348.2098 245.5284 348.6920 247.5038 349.1741 247.4739 349.6562 244.9007 350.1383 239.4571 350.6204 232.5488 351.1025 224.2121 351.5847 214.6833 352.0668 203.4694 352.5489 191.1203 353.0310 178.7991 353.5131 167.3173 353.9952 156.7203 354.4774 147.3222 354.9595 140.2903 355.4416 133.1168 355.9237 124.7513 356.4058 116.1515 356.8879 108.5495 357.3701 102.5114 357.8522 97.73154 358.3343 93.46844 358.8164 89.83170 359.2985 86.65369 359.7806 83.96882 360.2627 81.65266 360.7448 79.54146 361.2270 77.63256 361.7091 76.17506 362.1912 75.52195 362.6733 75.87907 363.1554 76.18882 363.6375 76.31628 364.1197 76.52768 364.6018 76.81365 365.0839 77.24738 365.5660 78.01232 366.0481 79.30003 366.5302 81.03321 367.0124 82.54464 367.4945 83.51905 367.9766 84.65672 368.4587 86.33044 368.9408 88.13960 369.4229 89.64702 369.9051 90.66547 370.3872 91.26260 370.8693 91.55275 371.3514 91.52476 371.8335 91.22115 372.3156 90.98753 372.7978 90.25930 373.2799 88.61481 373.7620 86.03384 374.2441 82.79609 374.7262 79.06817 375.2083 74.84237 375.6905 70.54146 376.1726 66.03584 376.6547 61.60767 377.1368 57.28684 377.6189 53.11712 378.1010 49.24070 378.5832 45.74860 379.0653 42.56952 379.5474 39.47856 380.0295 36.40264 380.5116 33.59040 380.9937 31.26537 381.4759 29.16773 381.9580 27.07556 382.4401 24.93606 382.9222 22.81945 383.4043 20.76705 383.8864 18.77124 384.3686 16.99785 384.8507 15.50228 385.3328 14.26319 385.8149 13.26628 386.2970 12.49907 386.7791 11.78176 387.2613 11.03291 387.7434 10.26786 388.2255 9.505489 388.7076 8.742052 389.1897 8.020092 389.6718 7.351768 390.1540 6.756004 390.6361 6.273888 391.1182 6.034914 391.6003 5.776365 392.0824 5.166445 392.5645 4.255022 393.0467 3.509533 393.5288 3.157925 394.0109 3.049084 394.4930 2.890259 394.9751 2.657921 395.4572 2.471886 395.9394 2.446606 396.4215 2.481733 396.9036 2.396271 397.3857 2.141829 397.8678 1.832674 398.3499 1.591511 398.8321 1.416132 399.3142 1.248604 399.7963 1.032099 400.2784 0.8663330 400.7605 0.8612560 401.2426 0.9812980 401.7247 1.058920 402.2068 0.9823930 402.6890 0.7967610 403.1711 0.6908070 403.6532 0.7638300 404.1353 0.7836250 404.6174 0.6895690 405.0995 0.5281140 405.5817 0.3296640 406.0638 0.1097390 406.5459 7.2691001E-02 407.0280 0.1198370 407.5101 5.0820999E-02 407.9922 9.3657002E-02 408.4744 0.1417560 408.9565 0.3541930 409.4386 0.3500940 409.9207 0.1707880 410.4028 1.8673001E-02 410.8849 0.1013340 411.3671 9.1100998E-02 411.8492 9.8343000E-02 412.3313 0.1850590 412.8134 0.2088810 413.2955 9.0843000E-02 413.7776 7.0412003E-02 414.2598 0.1535490 414.7419 0.1233430 415.2240 6.9262996E-02 415.7061 0.1432290 416.1882 0.4022900 416.6703 0.5923290 417.1525 0.7101020 417.6346 0.7458990 418.1167 0.6301110 418.5988 0.4138070 419.0809 0.2438510 419.5630 0.2328460 420.0452 0.3476690 420.5273 0.4688860 421.0094 0.6519090 421.4915 0.7176300 421.9736 0.4465070 422.4557 9.4903998E-02 422.9379 3.4084000E-02 423.4200 0.1634650 423.9021 0.4576310 424.3842 0.6156380 424.8663 0.6414580 425.3484 0.6480830 425.8306 0.6790900 426.3127 0.6669100 426.7948 0.5102020 427.2769 0.2377780 427.7590 4.1315999E-02 428.2411 3.0410999E-02 428.7233 0.1317280 429.2054 0.2568930 429.6875 0.4067570 430.1696 0.5219420 430.6517 0.5759910 431.1339 0.5593250 431.6160 0.4642050 432.0981 0.2155160 432.5802 7.0310002E-03 433.0623 2.9893000E-02 433.5444 3.9453998E-02 434.0266 6.8943001E-02 434.5087 9.0260003E-03 434.9908 6.0129002E-02 435.4729 2.4493000E-02 435.9550 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