#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:40:01 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1208 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000622.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_1000622 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 R040059 _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 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 R040059.rod _rod_data_source.block 3500000 _rod_database.code 1000622 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 114.2189 0.0000000E+00 114.7010 9.6252002E-02 115.1832 0.4733890 115.6653 1.169891 116.1474 2.154602 116.6295 1.431580 117.1116 0.1009830 117.5937 0.4497990 118.0759 0.3229680 118.5580 1.454071 119.0401 2.016296 119.5222 1.827423 120.0043 1.723816 120.4864 2.908905 120.9686 5.190948 121.4507 7.242249 121.9328 8.378723 122.4149 8.983398 122.8970 9.992096 123.3791 11.59738 123.8613 13.65854 124.3434 16.02399 124.8255 18.76062 125.3076 21.68146 125.7897 24.69403 126.2718 27.72433 126.7540 30.62067 127.2361 32.78418 127.7182 35.19440 128.2003 38.61813 128.6824 43.16205 129.1645 47.99890 129.6467 51.86426 130.1288 54.07727 130.6109 56.56134 131.0930 59.67914 131.5751 62.97073 132.0572 66.17755 132.5394 69.18527 133.0215 71.87933 133.5036 73.90289 133.9857 74.87164 134.4678 75.62415 134.9499 76.55176 135.4321 77.46640 135.9142 79.19553 136.3963 82.72247 136.8784 87.85745 137.3605 92.49435 137.8426 96.28421 138.3248 99.39911 138.8069 101.9905 139.2890 104.5275 139.7711 107.0171 140.2532 109.1964 140.7353 111.3453 141.2175 114.3453 141.6996 119.1241 142.1817 124.3126 142.6638 128.8229 143.1459 132.7459 143.6280 135.3734 144.1102 136.3317 144.5923 135.7007 145.0744 133.1154 145.5565 127.7977 146.0386 120.4174 146.5207 112.9338 147.0029 105.5779 147.4850 97.67157 147.9671 88.43610 148.4492 78.44815 148.9313 68.95538 149.4134 61.10464 149.8955 54.95816 150.3777 48.21289 150.8598 39.38074 151.3419 31.18527 151.8240 24.61188 152.3061 19.56494 152.7882 15.39569 153.2704 11.42410 153.7525 7.588867 154.2346 4.218262 154.7167 0.8784180 155.1988 1.836823 155.6809 3.354645 156.1631 3.701965 156.6452 3.535248 157.1273 3.740204 157.6094 4.510986 158.0915 5.312469 158.5736 6.472565 159.0558 7.507019 159.5379 7.912354 160.0200 7.535217 160.5021 6.654877 160.9842 5.712830 161.4663 4.744751 161.9485 3.629150 162.4306 2.383453 162.9127 0.9667360 163.3948 0.7018430 163.8769 2.625336 164.3590 4.874268 164.8412 7.568451 165.3233 10.78226 165.8054 14.03485 166.2875 17.05539 166.7696 19.87918 167.2517 22.63315 167.7339 25.21155 168.2160 27.87341 168.6981 30.80359 169.1802 34.01382 169.6623 37.49054 170.1444 41.40494 170.6266 45.89795 171.1087 49.89127 171.5908 52.15079 172.0729 54.31662 172.5550 57.60593 173.0371 62.41687 173.5193 67.84735 174.0014 72.49673 174.4835 76.09119 174.9656 79.39679 175.4477 82.25537 175.9298 85.12286 176.4120 88.37088 176.8941 92.17239 177.3762 96.28937 177.8583 100.0023 178.3404 102.6903 178.8225 105.8116 179.3047 109.5261 179.7868 113.7284 180.2689 118.4810 180.7510 123.8181 181.2331 129.5126 181.7152 134.4045 182.1974 137.9338 182.6795 141.3293 183.1616 144.6834 183.6437 148.0517 184.1258 151.6150 184.6079 155.5489 185.0900 159.6861 185.5722 162.8123 186.0543 164.3631 186.5364 165.7563 187.0185 167.2077 187.5006 168.8450 187.9827 171.1701 188.4649 174.7606 188.9470 179.1974 189.4291 182.5369 189.9112 184.5171 190.3933 185.7408 190.8754 186.4215 191.3576 186.5822 191.8397 186.4968 192.3218 186.4251 192.8039 186.1503 193.2860 185.2467 193.7681 183.3742 194.2503 181.1111 194.7324 179.0925 195.2145 177.3714 195.6966 175.5073 196.1787 173.2840 196.6608 170.7441 197.1430 167.8505 197.6251 164.5252 198.1072 160.9045 198.5893 157.2268 199.0714 153.5146 199.5535 149.6212 200.0357 144.7841 200.5178 139.9460 200.9999 136.3289 201.4820 134.7015 201.9641 134.3334 202.4462 133.1364 202.9284 130.4244 203.4105 127.9980 203.8926 126.9423 204.3747 126.2703 204.8568 124.6146 205.3389 121.0846 205.8211 116.2279 206.3032 112.6326 206.7853 111.6708 207.2674 110.3565 207.7495 107.9446 208.2316 104.8650 208.7138 101.7634 209.1959 99.04846 209.6780 96.61493 210.1601 93.77798 210.6422 90.26343 211.1243 86.59833 211.6065 82.68982 212.0886 78.69870 212.5707 74.87814 213.0528 71.34317 213.5349 68.08472 214.0170 64.65067 214.4992 61.12888 214.9813 57.41327 215.4634 53.07047 215.9455 48.48950 216.4276 44.32605 216.9097 40.99792 217.3919 38.54037 217.8740 37.09885 218.3561 37.15692 218.8382 37.53406 219.3203 38.24463 219.8024 39.00485 220.2845 39.02570 220.7667 37.70694 221.2488 35.23096 221.7309 32.96387 222.2130 30.89578 222.6951 29.01920 223.1772 27.45023 223.6594 26.11575 224.1415 24.66165 224.6236 22.81409 225.1057 20.71750 225.5878 18.85272 226.0699 16.99658 226.5521 15.59146 227.0342 15.22974 227.5163 15.79849 227.9984 16.07581 228.4805 15.08450 228.9626 13.59015 229.4448 13.05841 229.9269 13.82477 230.4090 15.19070 230.8911 16.60825 231.3732 18.07135 231.8553 19.82574 232.3375 22.21368 232.8196 24.83929 233.3017 27.20834 233.7838 29.22076 234.2659 31.05215 234.7480 32.79361 235.2302 34.42041 235.7123 36.19687 236.1944 37.99771 236.6765 40.14066 237.1586 43.07123 237.6407 46.97693 238.1229 51.11044 238.6050 54.44601 239.0871 56.74545 239.5692 59.45093 240.0513 63.64304 240.5334 67.99631 241.0156 71.55447 241.4977 74.08160 241.9798 76.27496 242.4619 79.16446 242.9440 83.11685 243.4261 86.36652 243.9083 87.70349 244.3904 88.85803 244.8725 91.18176 245.3546 94.85806 245.8367 98.66904 246.3188 100.8071 246.8010 100.6134 247.2831 100.7704 247.7652 101.8535 248.2473 103.0562 248.7294 103.8461 249.2115 104.1687 249.6937 104.3868 250.1758 104.9868 250.6579 106.1304 251.1400 107.2391 251.6221 108.2442 252.1042 109.2725 252.5864 110.4792 253.0685 111.8372 253.5506 113.1219 254.0327 114.1277 254.5148 114.9864 254.9969 115.0600 255.4790 113.9371 255.9612 112.5193 256.4433 111.3656 256.9254 110.4569 257.4075 109.3267 257.8896 107.4049 258.3718 104.3828 258.8539 101.9767 259.3360 100.8344 259.8181 99.61713 260.3002 97.32904 260.7823 94.19016 261.2645 91.33041 261.7466 89.90082 262.2287 90.19464 262.7108 89.73123 263.1929 87.88940 263.6750 86.04849 264.1572 84.57785 264.6393 83.61694 265.1214 83.43015 265.6035 84.37817 266.0856 86.52197 266.5677 87.55038 267.0499 86.41504 267.5320 85.45880 268.0141 85.90033 268.4962 87.40536 268.9783 88.83282 269.4604 89.37790 269.9426 89.12958 270.4247 89.24457 270.9068 90.07733 271.3889 90.82501 271.8710 91.27249 272.3531 91.40146 272.8352 91.16541 273.3174 90.49899 273.7995 89.53287 274.2816 88.81815 274.7637 88.15701 275.2458 87.86667 275.7279 88.24432 276.2101 89.05429 276.6922 89.85614 277.1743 90.48212 277.6564 90.90518 278.1385 90.97546 278.6206 90.48764 279.1028 90.14114 279.5849 90.40759 280.0670 90.93390 280.5491 90.99393 281.0312 90.23822 281.5133 89.15881 281.9955 88.87991 282.4776 89.80536 282.9597 89.97903 283.4418 88.31812 283.9239 85.74170 284.4060 83.92053 284.8882 83.44870 285.3703 83.05356 285.8524 80.59021 286.3345 75.83591 286.8166 71.62738 287.2987 68.95551 287.7809 66.98517 288.2630 64.70483 288.7451 61.96841 289.2272 58.99231 289.7093 56.07722 290.1914 53.18208 290.6736 49.98619 291.1557 46.13258 291.6378 42.06564 292.1199 38.10941 292.6020 34.30734 293.0841 31.04158 293.5663 28.88838 294.0484 27.59889 294.5305 25.92067 295.0126 23.28952 295.4947 20.56595 295.9768 18.47290 296.4590 17.01181 296.9411 15.85918 297.4232 14.88762 297.9053 14.10857 298.3874 13.43803 298.8695 12.81888 299.3517 12.37994 299.8338 12.47641 300.3159 12.98331 300.7980 12.99306 301.2801 11.87021 301.7622 10.14761 302.2444 8.913910 302.7265 8.187668 303.2086 7.897552 303.6907 8.335358 304.1728 9.259415 304.6549 9.737915 305.1371 9.325836 305.6192 8.546417 306.1013 8.221863 306.5834 8.407028 307.0655 8.499390 307.5476 8.311310 308.0298 7.837280 308.5119 6.948334 308.9940 5.450821 309.4761 3.951385 309.9582 3.227173 310.4403 3.157791 310.9225 3.129105 311.4046 2.955414 311.8867 2.695267 312.3688 2.405762 312.8509 2.069458 313.3330 1.818451 313.8152 1.766312 314.2973 1.895981 314.7794 2.202484 315.2615 2.543243 315.7436 3.143570 316.2257 4.460449 316.7079 6.535477 317.1900 8.406403 317.6721 9.407593 318.1542 9.781006 318.6363 10.18901 319.1184 10.73016 319.6006 11.25101 320.0827 11.51064 320.5648 11.57195 321.0469 11.99657 321.5290 13.38423 322.0111 14.94647 322.4933 15.21193 322.9754 13.79724 323.4575 12.30136 323.9396 11.81724 324.4217 11.95531 324.9038 11.44676 325.3860 9.740982 325.8681 7.632538 326.3502 6.265823 326.8323 5.617676 327.3144 4.874176 327.7965 3.487305 328.2787 1.885452 328.7608 0.8866580 329.2429 0.6994170 329.7250 0.7041780 330.2071 0.2489620 330.6892 0.5728000 331.1714 1.221313 331.6535 1.556198 332.1356 1.696991 332.6177 1.704163 333.0998 1.582199 333.5819 1.496124 334.0641 1.623444 334.5462 1.865967 335.0283 1.865509 335.5104 1.335373 335.9925 0.8296510 336.4746 0.7456360 336.9568 1.015686 337.4389 1.337891 337.9210 1.612656 338.4031 1.828918 338.8852 1.971359 339.3673 2.046631 339.8495 2.052124 340.3316 1.978897 340.8137 1.833557 341.2958 1.544861 341.7779 1.021072 342.2600 0.6060790 342.7421 0.9936520 343.2242 2.310959 343.7064 3.183807 344.1885 3.056503 344.6706 2.508545 345.1527 2.112885 345.6348 1.955811 346.1169 2.014450 346.5991 2.334213 347.0812 2.929047 347.5633 3.340378 348.0454 3.597458 348.5275 3.653366 349.0096 3.319153 349.4918 2.694977 349.9739 2.256729 350.4560 2.364944 350.9381 2.854858 351.4202 2.897675 351.9023 2.149246 352.3845 1.435196 352.8666 1.076752 353.3487 0.9130860 353.8308 0.6525730 354.3129 0.1777500 354.7950 0.4214480 355.2772 0.9810180 355.7593 1.500992 356.2414 1.979034 356.7235 2.353149 357.2056 2.718887 357.6877 3.110764 358.1699 3.554947 358.6520 4.176987 359.1341 5.142715 359.6162 6.532211 360.0983 7.885498 360.5804 9.364624 361.0626 10.67249 361.5447 11.58640 362.0268 12.17894 362.5089 12.67677 362.9910 13.20413 363.4731 13.79131 363.9553 14.71614 364.4374 16.31424 364.9195 17.84160 365.4016 19.18227 365.8837 20.35019 366.3658 21.42493 366.8480 22.44118 367.3301 23.26581 367.8122 23.59145 368.2943 23.00902 368.7764 22.52763 369.2585 22.25365 369.7407 22.00003 370.2228 21.64124 370.7049 21.15244 371.1870 20.55800 371.6691 19.84703 372.1512 18.95923 372.6334 18.35185 373.1155 18.19734 373.5976 18.13799 374.0797 18.23274 374.5618 18.31754 375.0439 18.03607 375.5261 17.08568 376.0082 15.68044 376.4903 14.92676 376.9724 15.35570 377.4545 15.71654 377.9366 15.52640 378.4188 15.30127 378.9009 15.66588 379.3830 16.81404 379.8651 18.27565 380.3472 19.28175 380.8293 19.71564 381.3115 20.09782 381.7936 20.42892 382.2757 20.75435 382.7578 21.11351 383.2399 21.49823 383.7220 21.84903 384.2042 21.97163 384.6863 21.92024 385.1684 22.57959 385.6505 24.76845 386.1326 26.49435 386.6147 26.61908 387.0969 25.89008 387.5790 25.52010 388.0611 26.12669 388.5432 27.23409 389.0253 27.97749 389.5074 28.28619 389.9896 28.71489 390.4717 29.29375 390.9538 30.16214 391.4359 31.47652 391.9180 33.24393 392.4001 35.18396 392.8823 37.21861 393.3644 39.31784 393.8465 41.21834 394.3286 42.80273 394.8107 44.10896 395.2928 45.24078 395.7750 46.17273 396.2571 46.76364 396.7392 46.56892 397.2213 46.25418 397.7034 47.07663 398.1855 49.17532 398.6677 50.76498 399.1498 50.48715 399.6319 49.10780 400.1140 48.45372 400.5961 48.89381 401.0782 49.35606 401.5604 49.23938 402.0425 48.76680 402.5246 48.48360 403.0067 48.60062 403.4888 48.78085 403.9709 48.45480 404.4531 47.54570 404.9352 46.74261 405.4173 46.54657 405.8994 46.31360 406.3815 45.50998 406.8636 44.08711 407.3458 41.98436 407.8279 38.94679 408.3100 35.03609 408.7921 31.89842 409.2742 29.77258 409.7563 28.14532 410.2385 27.12660 410.7206 26.40393 411.2027 25.49390 411.6848 24.20540 412.1669 22.64706 412.6490 20.98692 413.1311 18.76791 413.6133 17.27525 414.0954 17.01692 414.5775 17.07117 415.0596 16.69283 415.5417 15.87990 416.0238 15.16533 416.5060 15.02588 416.9881 15.46936 417.4702 16.35605 417.9523 18.01086 418.4344 19.76646 418.9165 21.41971 419.3987 23.08501 419.8808 24.94719 420.3629 27.07422 420.8450 29.44881 421.3271 32.03333 421.8092 34.89830 422.2914 37.77142 422.7735 40.59808 423.2556 43.45389 423.7377 46.48535 424.2198 49.63950 424.7019 52.64896 425.1841 55.34299 425.6662 57.71758 426.1483 59.68279 426.6304 61.34473 427.1125 62.35533 427.5946 62.30563 428.0768 61.66165 428.5589 61.22461 429.0410 61.54971 429.5231 61.57629 430.0052 59.52043 430.4873 55.32361 430.9695 51.78200 431.4516 50.05771 431.9337 49.02785 432.4158 47.47430 432.8979 45.39088 433.3800 43.10368 433.8622 40.48468 434.3443 37.84531 434.8264 35.74049 435.3085 34.25336 435.7906 33.11606 436.2727 32.32877 436.7549 31.74178 437.2370 30.70534 437.7191 28.99014 438.2012 27.03297 438.6833 24.96957 439.1654 22.83569 439.6476 20.67580 440.1297 18.48439 440.6118 16.37764 441.0939 14.60161 441.5760 13.37941 442.0581 11.85846 442.5403 9.760941 443.0224 7.523682 443.5045 5.384537 443.9866 3.411560 444.4687 1.707458 444.9508 0.3711400 445.4330 0.6224210 445.9151 1.605484 446.3972 2.486862 446.8793 3.461975 447.3614 4.861938 447.8435 6.238144 448.3257 7.011383 448.8078 7.028381 449.2899 6.706619 449.7720 6.696732 450.2541 7.197937 450.7362 7.313843 451.2184 7.034897 451.7005 6.362534 452.1826 5.142410 452.6647 3.514282 453.1468 1.789505 453.6289 0.2077940 454.1111 1.412781 454.5932 3.721176 455.0753 7.160355 455.5574 10.00539 456.0395 10.92784 456.5216 11.44167 457.0038 12.76482 457.4859 15.08688 457.9680 17.63400 458.4501 19.91904 458.9322 21.96927 459.4143 23.83090 459.8965 25.48065 460.3786 27.01303 460.8607 28.48991 461.3428 29.90384 461.8249 31.21776 462.3070 32.30748 462.7892 33.41309 463.2713 34.43835 463.7534 35.56833 464.2355 37.53482 464.7176 40.69664 465.1997 44.61652 465.6819 48.58101 466.1640 52.42871 466.6461 56.83441 467.1282 62.49478 467.6103 68.29697 468.0924 73.16060 468.5746 77.16670 469.0567 81.28615 469.5388 86.21468 470.0209 91.82040 470.5030 97.37634 470.9851 102.8328 471.4673 108.2554 471.9494 113.8542 472.4315 119.3094 472.9136 124.1589 473.3957 128.3451 473.8778 132.3861 474.3600 136.7775 474.8421 141.4282 475.3242 147.1082 475.8063 154.8781 476.2884 162.6430 476.7705 169.2716 477.2527 175.5377 477.7348 182.8032 478.2169 191.7625 478.6990 201.7170 479.1811 211.3388 479.6632 220.5276 480.1454 230.5593 480.6275 242.0847 481.1096 254.3132 481.5917 266.6451 482.0738 279.0420 482.5559 291.4946 483.0380 304.4689 483.5201 317.3758 484.0023 329.4846 484.4844 340.7929 484.9665 350.5573 485.4486 358.4985 485.9307 364.4037 486.4128 368.2234 486.8950 370.0789 487.3771 369.8108 487.8592 366.4399 488.3413 361.2927 488.8234 355.6742 489.3055 349.9228 489.7877 344.8112 490.2698 341.0327 490.7519 338.5648 491.2340 337.7733 491.7161 339.2685 492.1982 341.4064 492.6804 343.1480 493.1625 345.3895 493.6446 349.3766 494.1267 355.5853 494.6088 363.6874 495.0909 373.2689 495.5731 384.6634 496.0552 396.4819 496.5373 408.2363 497.0194 420.9215 497.5015 435.1845 497.9836 450.6739 498.4658 466.6873 498.9479 483.0227 499.4300 499.3227 499.9121 515.2576 500.3942 530.8911 500.8763 545.2800 501.3585 559.7108 501.8406 571.1495 502.3227 577.0994 502.8048 577.5581 503.2869 574.8588 503.7690 570.2382 504.2512 563.1046 504.7333 552.3944 505.2154 537.9474 505.6975 521.0038 506.1796 501.9714 506.6617 481.1222 507.1439 459.2069 507.6260 435.0665 508.1081 411.7500 508.5902 389.8882 509.0723 369.4379 509.5544 350.3208 510.0366 332.6153 510.5187 315.9702 511.0008 300.0650 511.4829 284.8838 511.9650 270.7891 512.4471 258.5554 512.9293 246.4641 513.4114 234.2359 513.8935 221.9803 514.3756 209.9227 514.8577 198.0821 515.3398 185.9406 515.8220 172.4044 516.3041 157.1887 516.7862 143.9484 517.2683 133.7175 517.7504 124.3404 518.2325 114.8367 518.7147 105.4863 519.1968 96.83438 519.6789 89.08438 520.1610 82.02893 520.6431 75.48694 521.1252 69.47363 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