#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:15 +0300 (Thu, 07 Jun 2018) $ #$Revision: 977 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000437.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_1000437 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 R050104 _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 R050104.rod _rod_data_source.block 3500000 _rod_database.code 1000437 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 141.0739 0.0000000E+00 141.5560 6.8314001E-02 142.0381 0.2553560 142.5202 0.3930660 143.0023 2.0187000E-02 143.4845 0.2144320 143.9666 0.1896360 144.4487 3.0959999E-02 144.9308 0.5890960 145.4129 1.604172 145.8951 2.806381 146.3772 3.956314 146.8593 4.923492 147.3414 6.011703 147.8235 7.294983 148.3056 8.835007 148.7878 10.29944 149.2699 11.65988 149.7520 12.96991 150.2341 14.28094 150.7162 15.59145 151.1983 16.92522 151.6805 18.33324 152.1626 19.89758 152.6447 21.28857 153.1268 22.31396 153.6089 23.20328 154.0910 24.32394 154.5732 26.05901 155.0553 27.72504 155.5374 29.06459 156.0195 29.89729 156.5016 30.72838 156.9837 31.80898 157.4659 32.92793 157.9480 33.64186 158.4301 33.21866 158.9122 32.83334 159.3943 33.06372 159.8764 34.31125 160.3586 35.66249 160.8407 36.88222 161.3228 38.02715 161.8049 39.26387 162.2870 40.65836 162.7691 42.14429 163.2512 43.68631 163.7334 45.39352 164.2155 46.99867 164.6976 48.27139 165.1797 49.30611 165.6618 50.48347 166.1439 52.11908 166.6261 53.89760 167.1082 55.55138 167.5903 57.05157 168.0724 58.36038 168.5545 59.39989 169.0366 60.19948 169.5188 60.93442 170.0009 61.52748 170.4830 62.16888 170.9651 63.11046 171.4472 64.91032 171.9293 66.65726 172.4115 67.58429 172.8936 67.73384 173.3757 67.57021 173.8578 67.12477 174.3399 66.63586 174.8220 66.46645 175.3042 67.08875 175.7863 67.89714 176.2684 68.19574 176.7505 67.99004 177.2326 67.66939 177.7147 67.51508 178.1969 67.48920 178.6790 67.53180 179.1611 67.88217 179.6432 68.28615 180.1253 68.38644 180.6074 68.17200 181.0896 67.63728 181.5717 67.07033 182.0538 66.60345 182.5359 66.07425 183.0180 65.35007 183.5001 64.46629 183.9823 63.51556 184.4644 62.40858 184.9465 61.33760 185.4286 60.36003 185.9107 59.44165 186.3928 58.49406 186.8750 57.50133 187.3571 56.45200 187.8392 55.24777 188.3213 53.87224 188.8034 52.45975 189.2855 51.26109 189.7677 50.25545 190.2498 49.15701 190.7319 47.72722 191.2140 46.05939 191.6961 44.63522 192.1782 43.46962 192.6603 42.54019 193.1425 41.95496 193.6246 41.71451 194.1067 41.38312 194.5888 40.68233 195.0709 39.66003 195.5530 38.76822 196.0352 38.03108 196.5173 37.37616 196.9994 36.68352 197.4815 35.95061 197.9636 35.20734 198.4457 34.43709 198.9279 33.59631 199.4100 32.85083 199.8921 32.23871 200.3742 31.66255 200.8563 30.96809 201.3384 30.14685 201.8206 29.20526 202.3027 28.03889 202.7848 26.59778 203.2669 25.53481 203.7490 24.98393 204.2311 24.66586 204.7133 23.98775 205.1954 22.88135 205.6775 21.70303 206.1596 20.63129 206.6417 19.68372 207.1238 18.69989 207.6060 17.67264 208.0881 16.60110 208.5702 15.45071 209.0523 14.17090 209.5344 12.96451 210.0165 11.96481 210.4987 11.22806 210.9808 10.41403 211.4629 9.535400 211.9450 8.560440 212.4271 7.331635 212.9092 5.644501 213.3914 4.207184 213.8735 3.505394 214.3556 3.876762 214.8377 3.667099 215.3198 2.618660 215.8019 1.098328 216.2841 3.5781998E-02 216.7662 0.4577640 217.2483 0.7523500 217.7304 1.001953 218.2125 1.187202 218.6946 1.387802 219.1767 1.659996 219.6589 1.920952 220.1410 1.931442 220.6231 1.491631 221.1052 1.174423 221.5873 1.292519 222.0694 2.069641 222.5516 2.646973 223.0337 2.988136 223.5158 3.136536 223.9979 3.217598 224.4800 3.247437 224.9621 3.181938 225.4443 3.016602 225.9264 2.798988 226.4085 2.328598 226.8906 1.419640 227.3727 0.3298650 227.8548 0.3424000 228.3370 0.4030990 228.8191 0.3578800 229.3012 0.3905180 229.7833 0.4773250 230.2654 0.7182240 230.7475 1.180847 231.2297 1.773087 231.7118 2.260551 232.1939 2.486343 232.6760 2.858978 233.1581 3.588455 233.6402 4.867165 234.1224 5.957550 234.6045 6.803757 235.0866 7.491737 235.5687 8.178978 236.0508 8.778267 236.5329 9.518021 237.0151 10.53059 237.4972 11.99244 237.9793 13.17246 238.4614 13.92133 238.9435 14.46306 239.4256 15.24834 239.9078 16.36018 240.3899 17.56737 240.8720 18.80090 241.3541 20.06940 241.8362 21.36468 242.3183 22.85873 242.8005 24.30531 243.2826 25.22384 243.7647 25.20285 244.2468 25.32716 244.7289 25.98520 245.2110 27.33584 245.6931 28.56242 246.1753 29.57832 246.6574 30.52516 247.1395 31.66508 247.6216 33.22145 248.1037 34.55249 248.5858 35.37292 249.0680 35.51494 249.5501 36.04350 250.0322 37.15092 250.5143 38.49048 250.9964 39.61067 251.4785 40.49574 251.9607 41.18314 252.4428 41.63130 252.9249 41.79337 253.4070 42.10968 253.8891 42.67989 254.3712 43.31278 254.8534 43.75993 255.3355 43.88701 255.8176 44.09421 256.2997 44.44579 256.7818 44.93436 257.2639 45.72070 257.7461 47.05238 258.2282 48.40708 258.7103 49.13644 259.1924 48.84655 259.6745 48.86765 260.1566 49.57100 260.6388 50.93956 261.1209 52.00152 261.6030 52.63988 262.0851 53.14752 262.5672 53.78145 263.0493 54.58202 263.5315 55.40259 264.0136 56.13512 264.4957 56.82791 264.9778 58.06449 265.4599 60.13165 265.9420 62.23384 266.4242 63.63396 266.9063 64.07684 267.3884 64.69394 267.8705 65.60464 268.3526 66.80361 268.8347 68.39607 269.3169 70.57783 269.7990 72.69680 270.2811 74.27567 270.7632 75.16953 271.2453 76.09011 271.7274 77.12944 272.2096 78.23920 272.6917 79.29632 273.1738 80.28932 273.6559 81.28518 274.1380 82.31845 274.6201 83.39206 275.1023 84.42368 275.5844 85.37463 276.0665 86.31511 276.5486 87.54027 277.0307 89.16015 277.5128 90.56791 277.9950 91.34357 278.4771 91.45142 278.9592 91.85643 279.4413 92.65070 279.9234 93.58316 280.4055 94.31369 280.8877 94.86954 281.3698 95.17695 281.8519 95.06493 282.3340 94.54034 282.8161 94.36203 283.2982 94.62749 283.7804 95.03772 284.2625 95.22478 284.7446 95.21573 285.2267 94.96114 285.7088 94.41148 286.1909 93.53507 286.6730 92.24155 287.1552 90.45659 287.6373 88.55901 288.1194 87.17446 288.6015 86.24514 289.0836 84.93279 289.5657 82.79751 290.0479 80.09548 290.5300 77.69291 291.0121 75.62059 291.4942 73.75790 291.9763 72.14409 292.4584 70.72411 292.9406 69.04523 293.4227 66.97118 293.9048 64.60360 294.3869 62.10558 294.8690 59.46814 295.3511 56.88313 295.8333 54.53374 296.3154 52.36139 296.7975 50.08235 297.2796 47.64340 297.7617 45.10925 298.2438 42.46144 298.7260 39.76643 299.2081 37.33485 299.6902 35.56664 300.1723 34.22839 300.6544 32.71384 301.1365 30.89832 301.6187 29.02768 302.1008 27.38029 302.5829 25.94415 303.0650 24.60341 303.5471 23.28774 304.0292 22.02549 304.5114 20.85606 304.9935 19.76981 305.4756 18.78810 305.9577 17.94975 306.4398 17.22263 306.9219 16.53060 307.4041 15.74243 307.8862 14.99149 308.3683 14.45006 308.8504 14.15691 309.3325 13.81068 309.8146 13.00578 310.2968 12.01730 310.7789 11.21983 311.2610 11.05395 311.7431 10.99729 312.2252 10.63451 312.7073 9.976944 313.1895 9.342804 313.6716 8.856873 314.1537 8.539345 314.6358 8.441833 315.1179 8.870361 315.6000 9.171288 316.0822 8.829521 316.5643 8.010330 317.0464 7.387390 317.5285 7.361038 318.0106 7.581978 318.4927 7.828110 318.9749 8.132805 319.4570 8.292076 319.9391 8.169502 320.4212 7.853897 320.9033 7.539589 321.3854 7.206367 321.8676 6.939522 322.3497 6.818108 322.8318 6.944260 323.3139 6.950279 323.7960 6.639580 324.2781 6.189728 324.7603 5.851410 325.2424 5.746208 325.7245 5.684662 326.2066 5.609856 326.6887 5.510765 327.1708 5.459572 327.6530 5.457809 328.1351 5.511948 328.6172 5.626564 329.0993 5.860313 329.5814 6.092392 330.0635 6.316704 330.5457 6.532600 331.0278 6.717110 331.5099 6.832062 331.9920 6.947060 332.4741 7.120880 332.9562 7.533356 333.4384 7.691078 333.9205 7.424217 334.4026 6.875221 334.8847 6.579346 335.3668 6.706764 335.8489 6.834763 336.3311 6.745750 336.8132 6.330658 337.2953 6.004189 337.7774 5.766846 338.2595 5.620392 338.7416 5.604401 339.2238 5.778709 339.7059 5.900452 340.1880 5.847023 340.6701 5.609024 341.1522 5.543884 341.6343 5.750763 342.1164 5.917046 342.5985 5.549980 343.0807 4.566322 343.5628 3.857201 344.0449 3.720215 344.5270 4.031250 345.0091 4.304932 345.4912 4.564224 345.9734 4.639595 346.4555 4.236649 346.9376 3.432281 347.4197 2.810577 347.9018 2.316406 348.3839 2.295273 348.8661 2.233253 349.3482 2.132843 349.8303 1.880424 350.3124 1.822594 350.7945 1.685829 351.2766 1.545021 351.7588 1.512451 352.2409 1.278320 352.7230 1.242485 353.2051 1.126350 353.6872 1.045784 354.1693 0.8855820 354.6515 0.7489170 355.1336 0.6900560 355.6157 0.5866930 356.0978 0.4138950 356.5799 0.3302230 357.0620 8.4472999E-02 357.5442 2.0996001E-02 358.0263 0.1340180 358.5084 0.2145610 358.9905 0.3270720 359.4726 0.4702300 359.9547 0.6389920 360.4369 0.9307710 360.9190 1.191643 361.4011 1.274811 361.8832 1.059647 362.3653 0.8395310 362.8474 0.7262730 363.3296 0.7012860 363.8117 0.7257840 364.2938 0.9165800 364.7759 1.047966 365.2580 0.9528200 365.7401 0.5211870 366.2223 0.2786480 366.7044 0.6012800 367.1865 1.076057 367.6686 1.242516 368.1507 0.6122510 368.6328 0.1055220 369.1150 3.8220000E-03 369.5971 0.2941590 370.0792 0.4070050 370.5613 0.1048890 371.0434 0.2214580 371.5255 0.3263930 372.0077 3.7018001E-02 372.4898 0.2368620 372.9719 0.1937410 373.4540 2.6962001E-02 373.9361 0.2284770 374.4182 0.4251100 374.9004 0.5748370 375.3825 0.6204150 375.8646 0.5174870 376.3467 0.6940540 376.8288 1.248436 377.3109 1.901711 377.7931 2.212540 378.2752 2.065521 378.7573 2.129082 379.2394 2.694351 379.7215 3.671928 380.2036 4.396645 380.6858 4.796608 381.1679 5.076546 381.6500 5.415222 382.1321 5.835587 382.6142 6.333839 383.0963 6.916550 383.5785 7.514961 384.0606 8.006775 384.5427 8.409668 385.0248 8.862709 385.5069 9.390053 385.9890 10.01328 386.4712 10.82867 386.9533 11.87545 387.4354 12.97081 387.9175 13.90452 388.3996 14.70309 388.8817 15.44707 389.3639 16.09589 389.8460 16.75351 390.3281 17.58367 390.8102 18.56950 391.2923 19.48464 391.7744 19.97773 392.2566 20.41272 392.7387 21.23136 393.2208 22.87231 393.7029 24.41830 394.1850 25.28464 394.6671 25.68941 395.1493 26.22221 395.6314 27.35156 396.1135 28.47705 396.5956 29.24119 397.0777 29.49467 397.5598 29.85791 398.0419 30.57948 398.5240 31.44480 399.0062 32.20645 399.4883 32.63239 399.9704 33.16195 400.4525 33.88458 400.9346 34.79915 401.4167 35.79819 401.8989 36.97380 402.3810 38.14838 402.8631 39.22723 403.3452 40.24368 403.8273 41.09019 404.3094 41.69520 404.7916 42.15092 405.2737 42.69914 405.7558 43.46432 406.2379 44.02065 406.7200 44.20014 407.2021 43.99484 407.6843 43.59250 408.1664 42.95175 408.6485 42.23578 409.1306 41.62301 409.6127 41.11241 410.0948 40.70662 410.5770 40.55118 411.0591 40.39076 411.5412 39.47327 412.0233 37.80042 412.5054 35.96915 412.9875 34.32430 413.4697 32.83852 413.9518 31.49664 414.4339 30.34595 414.9160 29.18652 415.3981 27.68070 415.8802 25.99992 416.3624 24.51247 416.8445 23.55496 417.3266 22.76670 417.8087 21.70982 418.2908 20.40113 418.7729 19.24831 419.2551 18.79668 419.7372 18.53929 420.2193 17.93160 420.7014 16.57097 421.1835 15.22385 421.6656 14.22881 422.1478 13.49026 422.6299 12.79405 423.1120 12.20676 423.5941 11.59025 424.0762 10.84558 424.5583 9.875412 425.0405 8.943344 425.5226 8.148766 426.0047 7.451141 426.4868 6.762154 426.9689 6.050789 427.4510 5.296402 427.9332 4.452957 428.4153 3.592033 428.8974 2.988068 429.3795 2.718102 429.8616 2.528076 430.3438 2.334869 430.8259 2.188576 431.3080 1.925156 431.7901 1.532959 432.2722 1.031700 432.7543 0.3611370 433.2365 0.5152970 433.7186 1.186661 434.2007 1.457458 434.6828 1.415253 435.1649 1.402718 435.6470 1.426231 436.1292 1.492531 436.6113 1.723816 437.0934 2.007889 437.5755 1.930092 438.0576 1.305092 438.5397 0.6323170 439.0219 0.6178670 439.5040 1.077827 439.9861 1.460770 440.4682 1.357040 440.9503 1.128151 441.4324 1.170929 441.9146 1.496460 442.3967 1.762749 442.8788 1.702217 443.3609 1.501205 443.8430 1.358017 444.3251 1.416084 444.8073 1.410622 445.2894 1.185898 445.7715 0.8231350 446.2536 0.5325700 446.7357 0.5497060 447.2178 0.4879230 447.7000 0.1863020 448.1821 0.4086610 448.6642 1.069450 449.1463 1.975159 449.6284 2.821526 450.1105 3.313034 450.5927 3.160599 451.0747 3.166328 451.5569 3.420021 452.0390 3.905807 452.5211 4.611282 453.0032 5.595749 453.4853 6.627113 453.9674 7.548294 454.4496 8.351486 454.9317 9.355904 455.4138 10.62787 455.8959 11.90616 456.3780 12.73210 456.8601 13.17980 457.3423 13.88718 457.8244 15.04730 458.3065 16.57150 458.7886 18.38871 459.2707 20.48269 459.7528 22.48548 460.2350 24.02628 460.7171 25.40619 461.1992 27.04202 461.6813 28.95776 462.1634 31.22835 462.6455 34.23029 463.1277 37.57690 463.6098 40.69608 464.0919 42.89324 464.5740 45.23750 465.0561 48.45116 465.5382 52.37935 466.0204 56.07320 466.5025 59.00057 466.9846 61.84869 467.4667 64.98302 467.9488 68.57909 468.4309 72.19419 468.9131 75.52980 469.3952 78.95763 469.8773 82.97532 470.3594 88.02024 470.8415 93.04317 471.3236 97.92089 471.8058 102.6059 472.2879 107.0139 472.7700 111.0602 473.2521 115.0213 473.7342 119.0176 474.2163 123.0525 474.6985 127.1244 475.1806 131.2677 475.6627 135.3939 476.1448 139.5811 476.6269 143.7779 477.1090 147.5383 477.5912 150.6646 478.0733 153.2787 478.5554 155.5731 479.0375 157.5566 479.5196 159.2328 480.0017 160.7285 480.4839 161.8896 480.9660 162.5841 481.4481 162.8553 481.9302 162.3826 482.4123 160.4329 482.8944 157.7153 483.3766 155.2794 483.8587 153.9729 484.3408 152.5205 484.8229 150.3719 485.3050 147.5728 485.7871 144.7087 486.2693 141.4970 486.7514 138.5186 487.2335 136.1452 487.7156 134.6327 488.1977 133.0608 488.6798 131.2255 489.1620 129.4454 489.6441 128.1397 490.1262 127.3115 490.6083 126.9047 491.0904 126.8156 491.5725 127.1161 492.0547 128.2487 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