#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:20:30 +0300 (Thu, 24 May 2018) $ #$Revision: 655 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000187.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_1000187 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 R040079 _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 R040079.rod _rod_data_source.block 3500000 _rod_database.code 1000187 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 156.7682 0.0000000E+00 157.2503 12.24707 157.7324 21.30566 158.2145 9.007324 158.6966 9.9609002E-02 159.1787 5.531250 159.6609 31.48730 160.1430 60.56543 160.6251 89.82373 161.1072 118.0015 161.5893 142.3389 162.0714 160.8516 162.5536 177.1914 163.0357 193.7500 163.5178 212.0132 163.9999 227.7231 164.4820 236.0142 164.9641 238.6274 165.4463 245.5547 165.9284 267.8149 166.4105 296.9224 166.8926 324.5742 167.3747 343.4204 167.8568 357.2847 168.3390 376.3496 168.8211 410.8013 169.3032 432.2554 169.7853 416.1646 170.2674 384.3345 170.7495 352.1309 171.2317 337.9824 171.7138 330.8018 172.1959 304.8511 172.6780 250.3384 173.1601 193.1104 173.6422 167.2671 174.1244 166.7642 174.6065 166.2285 175.0886 148.4507 175.5707 117.6294 176.0528 85.38574 176.5349 51.04883 177.0171 21.26855 177.4992 4.812012 177.9813 1.020020 178.4634 2.056641 178.9455 5.808594 179.4276 10.25830 179.9098 10.65625 180.3919 0.4130860 180.8740 12.31250 181.3561 10.75439 181.8382 5.781738 182.3203 22.62158 182.8025 22.33154 183.2846 8.888184 183.7667 1.615234 184.2488 2.181641 184.7309 14.47168 185.2130 17.27246 185.6951 9.155273 186.1773 2.533691 186.6594 8.743652 187.1415 9.682129 187.6236 8.647461 188.1057 9.419922 188.5878 10.44727 189.0700 3.073242 189.5521 14.80713 190.0342 38.48096 190.5163 64.76660 190.9984 93.72266 191.4805 110.9019 191.9627 93.12354 192.4448 44.62549 192.9269 21.47168 193.4090 40.30762 193.8911 86.02637 194.3732 114.3877 194.8554 124.1636 195.3375 125.4868 195.8196 126.9336 196.3017 128.6528 196.7838 128.4614 197.2659 125.4224 197.7481 120.1245 198.2302 114.7080 198.7123 108.1465 199.1944 105.0044 199.6765 112.5557 200.1586 132.3975 200.6408 152.6748 201.1229 168.5527 201.6050 178.8350 202.0871 190.0391 202.5692 201.7510 203.0513 214.4453 203.5335 229.8467 204.0156 248.8804 204.4977 266.7490 204.9798 279.4775 205.4619 285.4146 205.9440 304.0415 206.4262 340.6650 206.9083 381.1426 207.3904 404.0811 207.8725 407.4346 208.3546 406.0205 208.8367 409.2329 209.3189 418.8442 209.8010 421.6963 210.2831 413.2627 210.7652 397.4731 211.2473 392.2148 211.7294 401.2500 212.2116 412.1294 212.6937 416.2056 213.1758 413.3682 213.6579 405.4160 214.1400 392.1479 214.6221 375.8833 215.1043 357.7593 215.5864 334.5044 216.0685 314.2739 216.5506 309.1924 217.0327 331.2383 217.5148 337.0586 217.9970 308.2583 218.4791 241.1201 218.9612 207.7739 219.4433 223.0063 219.9254 256.8521 220.4075 270.2920 220.8897 256.0547 221.3718 235.6494 221.8539 213.0713 222.3360 185.0977 222.8181 169.3662 223.3002 168.4736 223.7824 178.1436 224.2645 193.5806 224.7466 223.6445 225.2287 246.4604 225.7108 251.8394 226.1929 231.0044 226.6750 216.8501 227.1572 212.9238 227.6393 215.1074 228.1214 213.2065 228.6035 201.2021 229.0856 190.3057 229.5677 187.9839 230.0499 204.6494 230.5320 210.9883 231.0141 201.6807 231.4962 180.9375 231.9783 166.0850 232.4604 159.9194 232.9426 156.0347 233.4247 150.0254 233.9068 137.8062 234.3889 131.8315 234.8710 135.6782 235.3531 148.0127 235.8353 155.7188 236.3174 159.7534 236.7995 158.9854 237.2816 152.1016 237.7637 130.5386 238.2458 114.2612 238.7280 109.0781 239.2101 115.7720 239.6922 117.9756 240.1743 110.2246 240.6564 101.7876 241.1385 102.4023 241.6207 120.2588 242.1028 132.6509 242.5849 136.2197 243.0670 130.7612 243.5491 113.1172 244.0313 69.64941 244.5134 24.82910 244.9955 10.01562 245.4776 46.19238 245.9597 76.22021 246.4418 84.36230 246.9240 66.37744 247.4061 55.15625 247.8882 53.03076 248.3703 55.45947 248.8524 56.41943 249.3345 56.69092 249.8167 53.70947 250.2988 44.37402 250.7809 24.05225 251.2630 17.37744 251.7451 32.74609 252.2272 56.67773 252.7094 64.16162 253.1915 47.53125 253.6736 27.22559 254.1557 9.710449 254.6378 5.843750 255.1199 16.96338 255.6021 26.27539 256.0842 29.88721 256.5663 16.90039 257.0484 22.84326 257.5305 61.88037 258.0126 90.14746 258.4948 110.6396 258.9769 110.8394 259.4590 80.28857 259.9411 33.31445 260.4232 10.06738 260.9053 20.78320 261.3875 36.64307 261.8696 41.46924 262.3517 28.10059 262.8338 27.66748 263.3159 49.31934 263.7980 83.08691 264.2802 91.20264 264.7623 62.01953 265.2444 30.51807 265.7265 18.08057 266.2086 29.75293 266.6907 42.52148 267.1729 55.94678 267.6550 68.42822 268.1371 72.91162 268.6192 65.57910 269.1013 58.28027 269.5834 60.39795 270.0656 74.52100 270.5477 85.73633 271.0298 93.07178 271.5119 95.99072 271.9940 90.11084 272.4761 71.77979 272.9583 54.20605 273.4404 49.41748 273.9225 60.73828 274.4046 66.86572 274.8867 63.92432 275.3688 53.64307 275.8510 41.10303 276.3331 23.56982 276.8152 12.32910 277.2973 23.32080 277.7794 60.53223 278.2615 81.27588 278.7437 73.77441 279.2258 44.12354 279.7079 17.20215 280.1900 8.217773 280.6721 26.09229 281.1542 27.07324 281.6364 10.21240 282.1185 2.095215 282.6006 3.258789 283.0827 3.304199 283.5648 1.504395 284.0469 10.85986 284.5291 20.41064 285.0112 6.427246 285.4933 29.89941 285.9754 47.66211 286.4575 29.96582 286.9396 12.14160 287.4217 40.26074 287.9038 52.96631 288.3860 61.06494 288.8681 81.45898 289.3502 110.7593 289.8323 119.3276 290.3144 86.11133 290.7965 30.22607 291.2787 9.447266 291.7608 26.25977 292.2429 50.48779 292.7250 54.12793 293.2071 40.18604 293.6892 22.47559 294.1714 1.264160 294.6535 22.75342 295.1356 19.72607 295.6177 8.926270 296.0998 42.48438 296.5819 66.68115 297.0641 81.30371 297.5462 84.12549 298.0283 63.42383 298.5104 36.44678 298.9925 33.98828 299.4746 56.25439 299.9568 86.26660 300.4389 120.6528 300.9210 151.8213 301.4031 162.3823 301.8852 123.6772 302.3673 73.38672 302.8495 65.87842 303.3316 100.6328 303.8137 140.2993 304.2958 151.7344 304.7779 146.7017 305.2600 146.1509 305.7422 163.1846 306.2243 184.8247 306.7064 197.4531 307.1885 201.6318 307.6706 205.3496 308.1527 214.4736 308.6349 226.7075 309.1170 238.6631 309.5991 250.1782 310.0812 260.7998 310.5633 268.2539 311.0454 273.0273 311.5276 282.0835 312.0097 302.3984 312.4918 327.8052 312.9739 352.1582 313.4560 372.6187 313.9381 392.5059 314.4203 418.4907 314.9024 450.2651 315.3845 470.6294 315.8666 459.9302 316.3487 439.2095 316.8308 428.4150 317.3130 451.8838 317.7951 469.0166 318.2772 452.2710 318.7593 406.2334 319.2414 381.7471 319.7235 421.4077 320.2057 476.1113 320.6878 507.0850 321.1699 473.7891 321.6520 448.4800 322.1341 453.9473 322.6162 487.3154 323.0984 517.6099 323.5805 540.6763 324.0626 558.1460 324.5447 571.0732 325.0268 568.4038 325.5089 573.5713 325.9911 587.7749 326.4732 611.2832 326.9553 648.3906 327.4374 713.2515 327.9195 782.3584 328.4016 842.8159 328.8838 895.1797 329.3659 937.3428 329.8480 961.5293 330.3301 971.9058 330.8122 996.4888 331.2943 1047.656 331.7765 1102.926 332.2586 1143.920 332.7407 1161.290 333.2228 1186.453 333.7049 1222.802 334.1870 1268.609 334.6692 1317.291 335.1513 1369.768 335.6334 1425.120 336.1155 1482.889 336.5976 1545.546 337.0797 1603.999 337.5619 1654.135 338.0440 1701.582 338.5261 1764.572 339.0082 1850.926 339.4903 1940.872 339.9724 2017.915 340.4546 2079.428 340.9367 2152.768 341.4188 2244.941 341.9009 2344.670 342.3830 2424.171 342.8651 2480.078 343.3473 2542.716 343.8294 2639.335 344.3115 2769.492 344.7936 2876.636 345.2757 2956.236 345.7578 3014.145 346.2400 3064.854 346.7221 3105.951 347.2042 3120.295 347.6863 3095.781 348.1684 3037.252 348.6505 2958.551 349.1327 2858.682 349.6148 2741.768 350.0969 2600.404 350.5790 2441.289 351.0611 2293.706 351.5432 2186.835 352.0254 2095.252 352.5075 1968.713 352.9896 1803.665 353.4717 1643.712 353.9538 1529.060 354.4359 1447.398 354.9181 1378.228 355.4002 1323.817 355.8823 1271.332 356.3644 1203.271 356.8465 1119.447 357.3286 1046.486 357.8108 1005.078 358.2929 983.6665 358.7750 967.4014 359.2571 956.1436 359.7392 940.1328 360.2213 916.4790 360.7035 885.7915 361.1856 857.2603 361.6677 831.8521 362.1498 811.7456 362.6319 798.5557 363.1140 795.3687 363.5962 796.2573 364.0783 801.2446 364.5604 809.6245 365.0425 816.8984 365.5246 820.8501 366.0067 824.1382 366.4889 828.4019 366.9710 843.7734 367.4531 848.7881 367.9352 828.7559 368.4173 792.8735 368.8994 782.3286 369.3815 831.5420 369.8636 876.8315 370.3458 888.7886 370.8279 836.1240 371.3100 804.8921 371.7921 808.5229 372.2742 830.4585 372.7563 828.7183 373.2385 792.0063 373.7206 749.9316 374.2027 713.4761 374.6848 683.0835 375.1669 657.9512 375.6490 642.2485 376.1312 627.3916 376.6133 596.3462 377.0954 544.3496 377.5775 494.8750 378.0596 453.1045 378.5417 419.8906 379.0239 410.1929 379.5060 431.8086 379.9881 453.8960 380.4702 428.9263 380.9523 358.7329 381.4344 300.7568 381.9166 279.7114 382.3987 283.6689 382.8808 275.5073 383.3629 254.6504 383.8450 229.5977 384.3271 207.9580 384.8093 188.5327 385.2914 167.4883 385.7735 138.8975 386.2556 112.7100 386.7377 113.3784 387.2198 136.1704 387.7020 144.8818 388.1841 89.10840 388.6662 11.28662 389.1483 29.01123 389.6304 1.404785 390.1125 43.17871 390.5947 52.60645 391.0768 37.32471 391.5589 20.27002 392.0410 9.781738 392.5231 4.178223 393.0052 4.310547 393.4874 15.70312 393.9695 19.20801 394.4516 7.983398 394.9337 46.74512 395.4158 62.00391 395.8979 17.43994 396.3801 29.57324 396.8622 54.99951 397.3443 51.31006 397.8264 45.37793 398.3085 38.24707 398.7906 31.27490 399.2728 26.22168 399.7549 27.88135 400.2370 26.09961 400.7191 17.41309 401.2012 1.161621 401.6833 10.27734 402.1655 13.02393 402.6476 14.45215 403.1297 22.65967 403.6118 45.16650 404.0939 54.97705 404.5760 43.77051 405.0582 16.28711 405.5403 1.376465 406.0224 7.262207 406.5045 8.335449 406.9866 5.872070 407.4688 0.9384770 407.9509 5.114258 408.4330 30.79541 408.9151 63.24365 409.3972 74.33057 409.8793 63.87988 410.3615 48.41553 410.8436 34.06006 411.3257 21.81689 411.8078 15.97070 412.2899 17.50732 412.7720 22.39600 413.2542 27.37695 413.7363 32.02393 414.2184 35.13770 414.7005 39.63672 415.1826 40.51270 415.6647 22.25537 416.1469 15.93652 416.6290 36.15039 417.1111 7.875000 417.5932 81.34766 418.0753 137.1240 418.5574 149.7520 419.0396 150.0405 419.5217 152.3647 420.0038 155.9131 420.4859 155.8784 420.9680 144.5332 421.4501 132.5161 421.9323 127.6240 422.4144 140.4199 422.8965 148.1729 423.3786 139.1675 423.8607 121.8496 424.3428 119.9453 424.8250 166.2769 425.3071 201.2749 425.7892 200.4043 426.2713 142.3701 426.7534 106.1328 427.2355 97.36230 427.7177 106.6592 428.1998 123.0381 428.6819 153.5879 429.1640 173.5405 429.6461 168.3438 430.1282 138.8608 430.6104 146.1660 431.0925 202.7095 431.5746 263.0332 432.0567 270.5981 432.5388 223.1875 433.0209 202.8110 433.5031 238.1113 433.9852 301.7705 434.4673 325.2114 434.9494 309.2505 435.4315 284.5098 435.9136 267.9355 436.3958 259.7373 436.8779 263.0391 437.3600 282.3970 437.8421 301.8877 438.3242 300.1758 438.8063 283.7153 439.2885 270.4248 439.7706 272.4521 440.2527 280.1279 440.7348 283.4795 441.2169 280.9673 441.6990 282.0986 442.1812 300.2163 442.6633 322.1348 443.1454 332.5054 443.6275 314.1177 444.1096 295.0947 444.5917 280.6392 445.0739 271.6509 445.5560 277.4487 446.0381 329.7021 446.5202 377.0479 447.0023 387.0669 447.4844 310.3193 447.9666 265.0591 448.4487 269.9590 448.9308 305.5376 449.4129 318.0078 449.8950 294.2520 450.3771 268.6763 450.8593 255.5957 451.3413 258.2144 451.8235 254.2256 452.3056 238.9336 452.7877 220.9790 453.2698 220.4941 453.7519 243.7256 454.2340 256.2090 454.7162 239.4106 455.1983 204.8164 455.6804 199.1636 456.1625 224.2500 456.6446 246.2944 457.1267 228.1934 457.6089 184.1538 458.0910 154.6621 458.5731 154.0625 459.0552 160.4072 459.5373 147.5098 460.0194 118.3760 460.5016 90.26855 460.9837 55.92529 461.4658 36.71484 461.9479 62.63037 462.4300 153.4971 462.9121 220.6704 463.3943 189.0747 463.8764 114.5020 464.3585 58.47949 464.8406 50.67920 465.3227 57.78223 465.8048 77.57031 466.2870 110.0879 466.7691 129.9468 467.2512 121.2178 467.7333 108.9995 468.2154 108.6543 468.6975 137.5381 469.1797 150.0874 469.6618 134.5264 470.1439 104.6738 470.6260 98.87354 471.1081 125.6636 471.5902 155.9233 472.0724 178.6987 472.5545 193.2515 473.0366 200.3037 473.5187 200.1152 474.0008 196.1099 474.4829 192.6675 474.9651 193.7329 475.4472 199.4546 475.9293 216.6235 476.4114 235.0225 476.8935 226.8828 477.3756 194.7251 477.8578 168.2393 478.3399 183.7861 478.8220 214.7500 479.3041 217.3623 479.7862 171.8369 480.2683 125.8706 480.7505 117.6025 481.2326 135.4194 481.7147 154.5322 482.1968 162.5977 482.6789 170.8926 483.1610 189.0596 483.6432 220.0654 484.1253 238.0161 484.6074 222.5723 485.0895 197.7822 485.5716 184.4609 486.0537 192.6299 486.5359 202.5742 487.0180 216.7520 487.5001 232.3203 487.9822 233.9033 488.4643 209.2393 488.9464 190.7490 489.4286 196.0137 489.9107 229.4453 490.3928 263.8008 490.8749 300.1455 491.3570 335.8193 491.8391 372.7031 492.3213 410.5527 492.8034 428.5615 493.2855 402.5117 493.7676 358.1338 494.2497 365.4268 494.7318 423.5352 495.2140 494.4941 495.6961 545.1562 496.1782 588.1885 496.6603 645.7354 497.1424 731.2871 497.6245 814.9238 498.1067 877.1113 498.5888 919.8936 499.0709 948.9893 499.5530 952.6748 500.0351 954.5459 500.5172 976.9121 500.9994 1027.574 501.4815 1043.613 501.9636 984.6064 502.4457 897.5967 502.9278 825.2080 503.4099 793.8525 503.8921 746.4141 504.3742 669.5586 504.8563 572.4141 505.3384 492.2158 505.8205 432.6533 506.3026 384.0264 506.7848 346.3486 507.2669 322.9766 507.7490 281.8945 508.2311 215.5000 508.7132 149.4189 509.1953 121.5840 509.6775 128.8574 510.1596 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41.25391 1072.307 42.87988 1072.790 49.22461 1073.272 76.22754 1073.754 115.3584 1074.236 144.0996 1074.718 158.6611 1075.200 157.6104 1075.682 116.0010 1076.164 79.91016 1076.646 83.86035 1077.129 127.4688 1077.611 147.3076 1078.093 143.3359 1078.575 129.3926 1079.057 102.5215 1079.539 79.59863 1080.021 81.29395 1080.503 98.59082 1080.985 106.8867 1081.468 99.94141 1081.950 95.33887 1082.432 96.31836 1082.914 98.18164 1083.396 96.47949 1083.878 91.12207 1084.360 80.16797 1084.842 62.98047 1085.325 47.93848 1085.807 42.78320 1086.289 35.57715 1086.771 19.66699 1087.253 2.631836 1087.735 20.34766 1088.217 32.79785 1088.699 33.96191 1089.182 13.30664 1089.664 4.084961 1090.146 43.98242 1090.628 66.63965 1091.110 73.08887 1091.592 14.40137 1092.074 39.69141 1092.556 31.28418 1093.038 21.49219 1093.521 58.61523 1094.003 9.286133 1094.485 45.63965 1094.967 47.78418 1095.449 65.61230 1095.931 49.50293 1096.413 43.84668 1096.895 72.08496 1097.377 81.53809 1097.860 61.56836 1098.342 80.57422 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