#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:57 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1000 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000457.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_1000457 loop_ _publ_author_name 'Angel, R. J.' 'Carpenter, M. A.' 'Finger, L. W.' _publ_section_title ; Structural variation associated with compositional variation and order-disorder behavior in anorthite-rich feldspars sample from Monte Somma ; _journal_name_full 'American Mineralogist' _journal_page_first 150 _journal_page_last 162 _journal_volume 75 _journal_year 1990 _chemical_compound_source R060221 _chemical_formula_sum 'Al Ca O4 Si' _chemical_name_mineral Anorthite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)' _symmetry_space_group_name_H-M 'I -1' _cell_angle_alpha 93.134 _cell_angle_beta 115.885 _cell_angle_gamma 91.236 _cell_length_a 8.1796 _cell_length_b 12.8747 _cell_length_c 14.172 _cell_volume 1338.993 _exptl_crystal_density_diffrn 3.158 _cod_original_formula_sum 'Si Al Ca O4' _cod_database_code 9001260 _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 R060221.rod _rod_data_source.block 3500000 _rod_database.code 1000457 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 9001260 COD http://www.crystallography.net/cod/9001260.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 155.7175 0.0000000E+00 156.1996 6.936551 156.6817 7.466329 157.1639 6.823812 157.6460 9.137281 158.1281 4.276489 158.6102 0.2441830 159.0923 2.170197 159.5744 1.831375 160.0566 0.1362940 160.5387 3.996964 161.0208 9.392665 161.5029 16.46864 161.9850 25.80482 162.4671 37.88826 162.9493 51.89445 163.4314 67.21716 163.9135 83.25619 164.3956 101.0404 164.8777 120.9343 165.3598 142.9417 165.8420 167.2575 166.3241 194.1899 166.8062 223.2254 167.2883 253.9157 167.7704 286.5164 168.2525 320.1584 168.7346 354.4367 169.2168 389.4161 169.6989 425.8206 170.1810 465.2935 170.6631 506.1042 171.1452 546.3136 171.6273 584.1931 172.1095 621.3851 172.5916 659.7827 173.0737 699.4119 173.5558 739.0103 174.0379 778.9271 174.5201 817.7761 175.0022 854.0246 175.4843 886.3924 175.9664 916.5892 176.4485 946.1102 176.9306 975.0931 177.4128 1001.824 177.8949 1025.292 178.3770 1045.419 178.8591 1062.473 179.3412 1076.436 179.8233 1087.382 180.3055 1096.271 180.7876 1103.327 181.2697 1106.019 181.7518 1100.398 182.2339 1088.118 182.7160 1074.079 183.1982 1061.713 183.6803 1049.067 184.1624 1031.449 184.6445 1008.667 185.1266 982.9974 185.6087 956.4257 186.0909 928.8320 186.5730 901.1172 187.0551 873.2612 187.5372 845.5401 188.0193 818.1819 188.5014 792.1908 188.9836 771.3222 189.4657 754.5760 189.9478 740.7435 190.4299 729.0361 190.9120 717.7887 191.3941 706.4659 191.8763 695.0891 192.3584 682.4074 192.8405 669.4662 193.3226 658.2230 193.8047 648.7302 194.2868 638.1793 194.7690 627.0688 195.2511 616.6889 195.7332 606.1248 196.2153 594.2019 196.6974 582.1320 197.1795 570.6628 197.6617 559.2053 198.1438 546.7341 198.6259 536.4010 199.1080 528.3483 199.5901 518.3247 200.0722 505.8152 200.5544 492.0500 201.0365 479.4295 201.5186 467.9681 202.0007 456.9175 202.4828 446.3038 202.9649 436.2419 203.4471 424.7015 203.9292 411.1402 204.4113 396.4566 204.8934 382.1440 205.3755 368.3416 205.8576 354.8503 206.3398 341.6987 206.8219 328.9589 207.3040 315.9887 207.7861 302.9086 208.2682 288.9266 208.7503 274.6810 209.2325 260.1518 209.7146 246.3069 210.1967 233.8063 210.6788 223.0647 211.1609 211.4817 211.6430 198.5434 212.1252 185.0504 212.6073 173.1433 213.0894 163.3950 213.5715 153.8463 214.0536 143.6977 214.5357 132.8256 215.0179 121.6464 215.5000 109.8135 215.9821 97.87985 216.4642 87.12385 216.9463 78.36383 217.4284 69.46526 217.9105 58.93507 218.3927 45.72758 218.8748 34.55235 219.3569 25.84291 219.8390 18.91808 220.3211 12.28942 220.8032 6.500164 221.2854 0.1221270 221.7675 9.021126 222.2496 6.276591 222.7317 3.537222 223.2138 9.511587 223.6959 12.70835 224.1781 15.39174 224.6602 16.91767 225.1423 17.71583 225.6244 13.14546 226.1065 6.340899 226.5886 0.4575240 227.0708 4.606689 227.5529 8.772091 228.0350 11.84346 228.5171 11.97459 228.9992 10.57215 229.4813 9.327469 229.9635 8.266564 230.4456 7.307270 230.9277 6.459114 231.4098 5.746502 231.8919 5.141770 232.3740 4.440554 232.8562 4.219872 233.3383 4.728134 233.8204 6.134295 234.3025 7.746214 234.7846 9.561023 235.2667 10.99121 235.7489 8.603786 236.2310 6.351028 236.7131 3.416925 237.1952 0.6665150 237.6773 5.804489 238.1594 0.2352940 238.6416 5.455589 239.1237 10.57204 239.6058 4.337971 240.0879 3.737651 240.5700 11.97564 241.0521 19.95518 241.5343 27.57928 242.0164 35.01933 242.4985 41.76517 242.9806 48.65100 243.4627 57.01878 243.9448 67.71726 244.4270 78.37891 244.9091 88.16971 245.3912 96.77457 245.8733 106.3051 246.3554 117.4252 246.8375 128.9218 247.3197 139.0525 247.8018 146.6476 248.2839 154.9760 248.7660 165.3080 249.2481 178.1666 249.7302 189.1225 250.2124 197.1521 250.6945 204.3626 251.1766 213.4238 251.6587 225.5866 252.1408 237.2306 252.6229 247.3463 253.1051 255.8719 253.5872 265.0793 254.0693 275.3615 254.5514 286.0442 255.0335 296.5016 255.5156 306.6161 255.9978 316.5305 256.4799 326.0323 256.9620 335.1557 257.4441 345.2131 257.9262 356.4252 258.4083 368.2213 258.8904 379.9451 259.3726 391.5797 259.8547 403.3827 260.3368 415.4965 260.8189 427.9116 261.3010 439.4083 261.7831 449.6860 262.2653 459.5004 262.7474 469.0848 263.2295 478.0395 263.7116 488.2990 264.1937 500.9327 264.6758 515.1951 265.1580 527.1065 265.6401 535.5047 266.1222 543.6455 266.6043 554.0197 267.0864 567.6674 267.5685 580.0963 268.0507 590.5949 268.5328 599.7094 269.0149 609.8424 269.4970 621.8110 269.9791 633.1202 270.4612 642.2193 270.9434 648.4847 271.4255 655.2167 271.9076 662.5300 272.3897 670.5399 272.8718 679.9377 273.3539 691.2052 273.8361 702.1993 274.3182 711.8616 274.8003 720.0922 275.2824 727.2089 275.7645 732.7704 276.2466 737.6357 276.7288 743.7637 277.2109 751.4792 277.6930 758.7173 278.1751 764.2926 278.6572 768.1614 279.1393 772.1164 279.6215 775.9056 280.1036 778.8350 280.5857 779.7855 281.0678 778.5162 281.5499 776.7639 282.0320 775.7009 282.5142 775.1749 282.9963 771.6680 283.4784 764.8707 283.9605 757.0671 284.4426 751.5909 284.9247 748.2202 285.4069 743.1285 285.8890 734.6787 286.3711 723.7072 286.8532 713.3916 287.3353 703.8818 287.8174 693.9142 288.2996 682.5061 288.7817 669.6337 289.2638 655.1980 289.7459 638.6586 290.2280 620.7909 290.7101 603.2041 291.1923 585.8479 291.6744 568.5150 292.1565 550.8127 292.6386 532.7615 293.1207 514.6570 293.6028 496.6381 294.0850 478.9987 294.5671 461.6612 295.0492 444.6131 295.5313 427.4435 296.0134 410.4831 296.4955 393.4544 296.9777 376.7128 297.4598 360.9887 297.9419 345.9667 298.4240 331.2970 298.9061 317.1128 299.3882 303.9008 299.8704 292.5522 300.3525 282.4415 300.8346 272.2777 301.3167 261.8023 301.7988 251.0015 302.2809 239.2338 302.7631 227.0720 303.2452 215.4771 303.7273 204.9419 304.2094 195.4304 304.6915 187.1995 305.1736 180.2402 305.6558 173.8404 306.1379 167.8279 306.6200 161.8791 307.1021 155.4460 307.5842 147.0073 308.0663 138.5837 308.5485 132.2791 309.0306 128.0747 309.5127 123.9539 309.9948 118.1181 310.4769 111.6434 310.9590 105.9552 311.4412 101.9235 311.9233 98.24849 312.4054 93.97115 312.8875 89.17993 313.3696 84.77432 313.8517 81.93798 314.3339 79.37385 314.8160 75.70743 315.2981 69.99882 315.7802 64.75820 316.2623 61.82393 316.7444 60.51976 317.2266 58.92850 317.7087 54.80764 318.1908 51.10183 318.6729 50.12555 319.1550 53.88920 319.6371 55.57771 320.1193 51.39303 320.6014 44.12658 321.0835 38.09312 321.5656 35.00903 322.0477 32.98447 322.5298 31.44725 323.0120 30.48122 323.4941 29.12277 323.9762 26.61452 324.4583 23.81826 324.9404 21.67235 325.4225 20.70146 325.9047 20.00664 326.3868 19.51926 326.8689 19.25218 327.3510 18.91824 327.8331 18.36571 328.3152 17.85741 328.7974 17.57913 329.2795 18.11212 329.7616 18.20201 330.2437 17.47914 330.7258 16.13837 331.2079 15.25631 331.6901 14.94945 332.1722 14.96120 332.6543 15.13726 333.1364 15.22965 333.6185 15.96255 334.1006 17.86225 334.5828 20.22430 335.0649 21.34681 335.5470 20.83353 336.0291 19.74543 336.5112 18.29037 336.9933 16.23590 337.4755 15.06951 337.9576 15.14847 338.4397 15.73959 338.9218 15.87675 339.4039 15.50610 339.8860 14.87197 340.3681 13.87486 340.8503 12.58310 341.3324 12.21218 341.8145 13.14201 342.2966 13.93268 342.7787 12.97263 343.2608 10.17193 343.7430 7.812570 344.2251 6.515871 344.7072 5.837926 345.1893 4.292095 345.6714 1.760302 346.1535 0.3517880 346.6357 0.7100480 347.1178 0.3694540 347.5999 0.9742580 348.0820 0.8549400 348.5641 0.2818120 349.0462 0.5704820 349.5284 1.630024 350.0105 2.369422 350.4926 2.044779 350.9747 1.270558 351.4568 1.748726 351.9389 3.693568 352.4211 4.629758 352.9032 4.570288 353.3853 2.123695 353.8674 0.8255470 354.3495 2.709952 354.8316 3.366708 355.3138 1.512408 355.7959 0.8988350 356.2780 0.7217290 356.7601 1.012015 357.2422 1.225128 357.7243 0.4684010 358.2065 2.024902 358.6886 0.4168270 359.1707 0.6873000 359.6528 0.2989270 360.1349 2.176489 360.6170 1.014671 361.0992 1.246365 361.5813 1.579534 362.0634 1.005991 362.5455 0.6623000 363.0276 0.3651820 363.5097 4.8974998E-02 363.9919 0.3825320 364.4740 1.436192 364.9561 2.198725 365.4382 2.145473 365.9203 1.168752 366.4024 0.4785150 366.8846 0.4207590 367.3667 0.6738090 367.8488 0.9786090 368.3309 1.411124 368.8130 1.766763 369.2951 1.426750 369.7773 1.284737 370.2594 0.3904800 370.7415 2.410057 371.2236 4.344852 371.7057 4.392241 372.1878 1.138158 372.6700 1.014295 373.1521 0.3533050 373.6342 0.2605890 374.1163 0.3168980 374.5984 0.8365040 375.0805 0.2992510 375.5627 0.3622730 376.0448 0.2659060 376.5269 1.330648 377.0090 0.2848420 377.4911 2.845751 377.9732 4.247842 378.4554 4.372250 378.9375 4.668052 379.4196 5.329907 379.9017 6.468657 380.3838 7.886997 380.8659 9.653690 381.3481 11.39434 381.8302 12.81171 382.3123 14.06110 382.7944 15.82229 383.2765 18.32323 383.7586 21.06452 384.2408 23.42517 384.7229 25.40776 385.2050 27.15243 385.6871 28.23740 386.1692 29.21972 386.6513 31.50749 387.1335 35.24294 387.6156 39.20340 388.0977 41.93634 388.5798 44.03694 389.0619 46.41297 389.5440 49.17664 390.0262 52.13263 390.5083 54.99164 390.9904 57.98632 391.4725 61.65271 391.9546 67.15272 392.4367 72.93491 392.9189 77.58660 393.4010 80.63779 393.8831 82.92798 394.3652 84.20662 394.8473 85.09154 395.3294 86.58932 395.8116 89.43310 396.2937 92.64165 396.7758 95.79342 397.2579 98.81660 397.7400 101.7535 398.2221 105.1887 398.7043 108.1731 399.1864 109.9188 399.6685 108.4728 400.1506 107.9760 400.6327 109.3745 401.1148 112.1870 401.5970 114.2114 402.0791 115.2634 402.5612 115.7035 403.0433 115.5060 403.5254 114.0789 404.0075 113.8171 404.4897 115.5946 404.9718 117.9164 405.4539 118.1069 405.9360 115.3199 406.4181 113.1404 406.9002 112.8474 407.3824 114.1146 407.8645 114.3811 408.3466 113.6470 408.8287 112.3375 409.3108 110.7127 409.7929 108.6128 410.2751 105.6448 410.7572 101.6798 411.2393 97.40451 411.7214 93.89472 412.2035 90.75220 412.6856 86.96972 413.1678 81.37546 413.6499 74.98236 414.1320 70.17034 414.6141 67.16996 415.0962 64.43226 415.5783 60.34523 416.0605 55.25349 416.5426 50.36228 417.0247 46.10109 417.5068 42.50208 417.9889 39.52847 418.4710 36.94964 418.9532 34.10559 419.4353 30.15792 419.9174 26.26752 420.3995 23.40333 420.8816 22.12967 421.3637 20.72904 421.8459 18.09253 422.3280 14.92147 422.8101 12.36547 423.2922 11.70275 423.7743 10.87530 424.2564 8.989878 424.7386 5.885836 425.2207 3.145290 425.7028 1.131822 426.1849 0.2307460 426.6670 1.073731 427.1491 1.818478 427.6313 2.386206 428.1134 0.6220420 428.5955 2.187347 429.0776 4.192129 429.5597 3.378331 430.0418 2.596601 430.5240 3.421209 431.0061 6.403556 431.4882 6.729374 431.9703 3.526228 432.4524 0.3250020 432.9345 1.295166 433.4167 0.5893590 433.8988 2.000993 434.3809 2.224951 434.8630 1.553860 435.3451 0.3432610 435.8272 1.429675 436.3094 1.264186 436.7915 1.028356 437.2736 3.560917 437.7557 1.729941 438.2378 1.326624 438.7199 1.076846 439.2020 0.2652040 439.6841 0.7218190 440.1663 1.136472 440.6484 1.925823 441.1305 2.785810 441.6126 3.662252 442.0947 4.469226 442.5768 4.630579 443.0590 3.467742 443.5411 1.752812 444.0232 8.8367999E-02 444.5053 1.305125 444.9874 2.908596 445.4695 0.5841060 445.9517 2.190613 446.4338 3.698929 446.9159 2.306384 447.3980 0.9684210 447.8801 0.8219110 448.3622 2.003011 448.8444 2.054327 449.3265 7.7430001E-03 449.8086 2.346148 450.2907 3.188907 450.7728 2.769879 451.2549 2.744871 451.7371 3.274491 452.2192 3.419128 452.7013 3.081231 453.1834 2.956102 453.6655 3.596579 454.1476 2.554317 454.6298 0.1343730 455.1119 2.735311 455.5940 5.137875 456.0761 7.840281 456.5582 11.15343 457.0403 15.10154 457.5225 19.89543 458.0046 25.61838 458.4867 31.86744 458.9688 37.90158 459.4509 43.83612 459.9330 49.87611 460.4152 56.01760 460.8973 62.50467 461.3794 69.60671 461.8615 77.45168 462.3436 85.53884 462.8257 93.74018 463.3079 102.0456 463.7900 110.4163 464.2721 118.3402 464.7542 127.0998 465.2363 137.6454 465.7184 149.4873 466.2006 161.2155 466.6827 171.8077 467.1648 182.8307 467.6469 194.8768 468.1290 208.1814 468.6111 221.6699 469.0933 234.9095 469.5754 248.7059 470.0575 264.1660 470.5396 282.5963 471.0217 299.8997 471.5038 315.0978 471.9860 329.0937 472.4681 345.3849 472.9502 364.5121 473.4323 384.1971 473.9144 403.1068 474.3965 421.3512 474.8787 440.2376 475.3608 459.8633 475.8429 479.2941 476.3250 496.4786 476.8071 512.0164 477.2892 529.2823 477.7714 549.7496 478.2535 571.0948 478.7356 590.6296 479.2177 608.3106 479.6998 623.4891 480.1819 634.7585 480.6641 644.4116 481.1462 654.6266 481.6283 665.6286 482.1104 675.2169 482.5925 681.7576 483.0746 686.3846 483.5568 690.2455 484.0389 694.2547 484.5210 696.9273 485.0031 697.5918 485.4852 696.3102 485.9673 693.8665 486.4495 689.2053 486.9316 684.6908 487.4137 681.3635 487.8958 679.5037 488.3779 677.0076 488.8600 672.6344 489.3422 668.7489 489.8243 667.5494 490.3064 669.3893 490.7885 672.0882 491.2706 675.1896 491.7527 679.2707 492.2349 686.5048 492.7170 696.9873 493.1991 709.1680 493.6812 721.4147 494.1633 734.4396 494.6454 751.9342 495.1276 773.7408 495.6097 798.0361 496.0918 822.1271 496.5739 847.3985 497.0560 875.4032 497.5381 906.8627 498.0203 941.1963 498.5024 979.7106 498.9845 1020.872 499.4666 1062.310 499.9487 1101.484 500.4308 1141.338 500.9130 1184.149 501.3951 1229.803 501.8772 1275.083 502.3593 1319.685 502.8414 1362.405 503.3235 1403.132 503.8057 1442.631 504.2878 1478.122 504.7699 1509.718 505.2520 1537.495 505.7341 1561.753 506.2162 1583.560 506.6984 1599.369 507.1805 1607.856 507.6626 1609.188 508.1447 1606.447 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20.56838 535.6254 13.62380 536.1075 8.064936 536.5896 4.584627 537.0717 2.541890 537.5538 0.2417540 538.0359 4.430917 538.5181 5.352721 539.0002 3.466870 539.4823 3.252793 539.9644 2.917238 540.4465 2.379251 540.9286 2.259153 541.4108 3.225025 541.8929 5.102981 542.3750 5.662215 542.8571 3.781795 543.3392 1.410334 543.8214 2.556040 544.3035 7.662037 544.7856 13.27260 545.2677 20.03266 545.7498 26.53146 546.2319 30.97530 546.7141 33.88009 547.1962 37.62427 547.6783 43.55784 548.1604 50.36459 548.6425 57.60500 549.1246 65.45745 549.6068 72.88589 550.0889 78.70900 550.5710 84.72680 551.0531 93.09391 551.5352 105.9539 552.0173 116.4964 552.4995 122.9810 552.9816 127.2295 553.4637 133.8465 553.9458 143.0560 554.4279 152.4436 554.9100 160.7578 555.3922 168.2928 555.8743 175.8639 556.3564 183.1311 556.8385 190.6617 557.3206 199.5922 557.8027 208.7378 558.2849 216.2448 558.7670 221.4544 559.2491 225.8150 559.7312 230.0571 560.2133 234.1065 560.6954 237.7919 561.1776 241.3672 561.6597 243.8910 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