#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:52:04 +0300 (Thu, 07 Jun 2018) $ #$Revision: 974 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000434.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_1000434 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 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 R040059.rod _rod_data_source.block 3500000 _rod_database.code 1000434 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 129.3915 0.0000000E+00 129.8736 0.7429200 130.3557 6.542542 130.8378 12.46588 131.3199 17.16632 131.8020 22.72198 132.2842 28.47064 132.7663 33.53833 133.2484 37.99268 133.7305 41.71179 134.2126 44.09595 134.6947 45.22211 135.1769 46.58990 135.6590 48.31384 136.1411 50.53516 136.6232 54.07678 137.1053 59.13031 137.5874 64.40729 138.0696 68.60815 138.5517 71.57495 139.0338 74.77063 139.5159 78.47760 139.9980 82.66205 140.4801 87.16339 140.9623 91.72510 141.4444 97.06781 141.9265 104.5956 142.4086 115.6600 142.8907 126.8981 143.3728 137.4186 143.8550 146.4805 144.3371 154.6450 144.8192 161.6671 145.3013 166.4398 145.7834 165.9523 146.2655 161.3559 146.7477 155.1684 147.2298 147.8843 147.7119 139.6655 148.1940 130.1057 148.6761 118.6055 149.1582 105.8692 149.6404 93.79358 150.1225 82.41174 150.6046 71.53082 151.0867 61.17462 151.5688 50.97546 152.0509 41.64087 152.5331 33.01544 153.0152 25.14099 153.4973 18.41187 153.9794 13.21161 154.4615 8.925049 154.9436 5.261047 155.4258 2.489929 155.9079 9.8879999E-03 156.3900 2.366760 156.8721 4.542358 157.3542 6.377258 157.8363 7.955017 158.3185 9.104858 158.8006 9.727722 159.2827 9.601868 159.7648 9.127075 160.2469 8.684265 160.7290 8.158936 161.2112 6.530334 161.6933 2.706909 162.1754 2.000183 162.6575 6.499023 163.1396 9.928284 163.6217 13.58093 164.1039 18.03351 164.5860 23.28418 165.0681 28.80402 165.5502 34.32672 166.0323 39.97150 166.5145 45.95557 166.9966 52.62860 167.4787 59.44800 167.9608 66.24341 168.4429 73.02594 168.9250 79.36432 169.4071 84.88770 169.8893 89.81671 170.3714 94.51697 170.8535 98.65668 171.3356 102.9731 171.8177 108.1895 172.2998 114.4360 172.7820 120.9370 173.2641 127.2989 173.7462 133.4771 174.2283 139.4133 174.7104 145.1100 175.1925 150.6172 175.6747 155.7693 176.1568 160.4553 176.6389 165.3219 177.1210 171.4241 177.6031 178.3251 178.0852 184.7250 178.5674 189.0013 179.0495 192.5692 179.5316 198.2628 180.0137 206.7222 180.4958 215.7361 180.9779 223.1002 181.4601 229.0508 181.9422 234.6434 182.4243 240.7809 182.9064 246.9924 183.3885 252.2053 183.8706 256.0817 184.3528 259.2793 184.8349 263.0496 185.3170 267.2481 185.7991 270.8727 186.2812 272.9184 186.7633 273.7068 187.2455 274.2090 187.7276 274.8306 188.2097 275.4526 188.6918 275.8342 189.1739 275.9622 189.6560 276.1664 190.1382 277.0969 190.6203 278.5252 191.1024 278.9681 191.5845 278.0759 192.0666 276.1592 192.5487 273.8419 193.0309 271.1508 193.5130 268.1062 193.9951 264.6881 194.4772 260.9031 194.9593 256.8503 195.4414 252.7172 195.9236 248.2197 196.4057 242.2337 196.8878 234.5316 197.3699 226.6218 197.8520 220.0395 198.3341 214.7394 198.8163 208.9447 199.2984 201.8331 199.7805 193.9293 200.2626 187.8069 200.7447 183.7313 201.2268 180.4088 201.7090 176.7789 202.1911 172.8235 202.6732 168.6835 203.1553 164.2087 203.6374 159.5729 204.1195 156.1188 204.6017 154.1246 205.0838 152.5886 205.5659 150.6324 206.0480 148.2637 206.5301 145.4144 207.0122 141.9788 207.4944 138.0050 207.9765 134.1392 208.4586 130.3477 208.9407 126.7236 209.4228 123.4894 209.9049 120.8317 210.3871 117.8250 210.8692 114.3793 211.3513 110.4966 211.8334 105.5080 212.3155 98.92572 212.7976 92.04657 213.2798 86.39923 213.7619 82.43280 214.2440 78.03290 214.7261 72.51300 215.2082 65.91949 215.6903 59.64746 216.1725 53.63593 216.6546 48.20288 217.1367 43.74402 217.6188 40.33868 218.1009 37.76416 218.5830 36.13428 219.0651 35.55005 219.5473 34.96021 220.0294 34.42297 220.5115 33.57996 220.9936 32.18347 221.4757 29.98883 221.9578 27.76654 222.4400 25.78522 222.9221 24.08929 223.4042 21.74976 223.8863 18.52124 224.3684 14.87793 224.8505 11.19708 225.3327 7.232117 225.8148 3.840820 226.2969 1.276611 226.7790 0.4553830 227.2611 1.530884 227.7432 1.458618 228.2254 1.226013 228.7075 2.147461 229.1896 5.256836 229.6717 7.451965 230.1538 7.840942 230.6359 6.228333 231.1181 4.931335 231.6002 4.431763 232.0823 3.796143 232.5644 1.886658 233.0465 2.005798 233.5286 5.862122 234.0108 9.270813 234.4929 12.24176 234.9750 14.77759 235.4571 16.24121 235.9392 17.82544 236.4213 20.90790 236.9035 26.13000 237.3856 31.64362 237.8677 37.03949 238.3498 42.33685 238.8319 47.96259 239.3140 53.99792 239.7962 60.29761 240.2783 66.86371 240.7604 74.05560 241.2425 80.83191 241.7246 86.86334 242.2067 92.15277 242.6889 97.51471 243.1710 102.7978 243.6531 108.2897 244.1352 114.4475 244.6173 121.8843 245.0994 128.8186 245.5816 135.0484 246.0637 140.5780 246.5458 144.8273 247.0279 147.2149 247.5100 148.9287 247.9921 151.1326 248.4743 154.4426 248.9564 157.0109 249.4385 158.2003 249.9206 158.0628 250.4027 158.9441 250.8848 161.3179 251.3670 164.1871 251.8491 166.6777 252.3312 168.6863 252.8133 170.5807 253.2954 172.4509 253.7775 174.2814 254.2597 175.8734 254.7418 177.2701 255.2239 178.3582 255.7060 179.0788 256.1881 179.5068 256.6702 179.3530 257.1523 178.4549 257.6345 176.8857 258.1166 175.2512 258.5987 173.4877 259.0808 171.7883 259.5629 170.3162 260.0450 169.2213 260.5272 168.0287 261.0093 166.6031 261.4914 165.0349 261.9735 163.8713 262.4556 163.2342 262.9377 162.8206 263.4199 162.2728 263.9020 161.1827 264.3841 161.2979 264.8662 162.8760 265.3483 165.7509 265.8304 169.5169 266.3126 174.4980 266.7947 179.6401 267.2768 184.1459 267.7589 187.7643 268.2410 191.9948 268.7231 197.2539 269.2053 203.1036 269.6874 208.3537 270.1695 213.0480 270.6516 217.1542 271.1337 220.4852 271.6158 222.8680 272.0980 225.5562 272.5801 228.7587 273.0622 232.1606 273.5443 234.7507 274.0264 236.1514 274.5085 238.1326 274.9907 241.9922 275.4728 248.1813 275.9549 252.2930 276.4370 253.6597 276.9191 253.8450 277.4012 255.8858 277.8834 260.0920 278.3655 264.2200 278.8476 267.0844 279.3297 268.6974 279.8118 270.7822 280.2939 273.7910 280.7761 276.8239 281.2582 278.3301 281.7403 278.1127 282.2224 277.7692 282.7045 278.0261 283.1866 278.8314 283.6688 279.5854 284.1509 280.5586 284.6330 280.4960 285.1151 277.5704 285.5972 271.8126 286.0793 265.1569 286.5615 257.8168 287.0436 250.0793 287.5257 243.5396 288.0078 238.2322 288.4899 233.5879 288.9720 229.5787 289.4542 226.0197 289.9363 220.8584 290.4184 213.3458 290.9005 203.9386 291.3826 193.1020 291.8647 180.6746 292.3469 168.5673 292.8290 158.2717 293.3111 149.6519 293.7932 141.6724 294.2753 134.2075 294.7574 127.0865 295.2396 120.3091 295.7217 113.8343 296.2038 107.1132 296.6859 99.09521 297.1680 90.49701 297.6501 83.23853 298.1323 77.83081 298.6144 73.53592 299.0965 69.34109 299.5786 65.27551 300.0607 61.60699 300.5428 58.62576 301.0250 56.05408 301.5071 53.12277 301.9892 49.46118 302.4713 46.19617 302.9534 44.94150 303.4355 45.21707 303.9177 45.37030 304.3998 44.64005 304.8819 43.18463 305.3640 40.93649 305.8461 37.68417 306.3282 34.75980 306.8104 33.62991 307.2925 33.68701 307.7746 33.70343 308.2567 33.11179 308.7388 32.22729 309.2209 31.22562 309.7031 30.11804 310.1852 29.19168 310.6673 28.80478 311.1494 28.68271 311.6315 28.42773 312.1136 27.44800 312.5958 26.60553 313.0779 26.67429 313.5600 27.57263 314.0421 28.26984 314.5242 27.54852 315.0063 26.59970 315.4885 26.60699 315.9706 28.26822 316.4527 30.58618 316.9348 33.56866 317.4169 36.98712 317.8990 39.82288 318.3812 41.01859 318.8633 41.88763 319.3454 43.40115 319.8275 46.49518 320.3096 49.14383 320.7917 50.87631 321.2739 51.74802 321.7560 51.87924 322.2381 50.86844 322.7202 49.48380 323.2023 48.08389 323.6844 46.77582 324.1666 45.29822 324.6487 43.71124 325.1308 41.91385 325.6129 39.76001 326.0950 37.39978 326.5771 34.50293 327.0593 30.72665 327.5414 25.68408 328.0235 21.28043 328.5056 17.87381 328.9877 15.05865 329.4698 12.47156 329.9520 10.26392 330.4341 8.058929 330.9162 5.318573 331.3983 1.964172 331.8804 0.7598570 332.3625 3.799377 332.8447 7.204590 333.3268 8.010101 333.8089 4.483276 334.2910 1.451538 334.7731 0.7450560 335.2552 2.093109 335.7374 2.288239 336.2195 0.4738770 336.7016 1.110565 337.1837 0.8599850 337.6658 2.267059 338.1479 3.596344 338.6301 2.238312 339.1122 0.5541990 339.5943 1.866455 340.0764 1.350647 340.5585 0.4472050 341.0406 0.4098820 341.5227 1.291016 342.0049 1.092621 342.4870 0.6121220 342.9691 2.509125 343.4512 2.310822 343.9333 0.1573180 344.4154 2.065094 344.8976 2.144012 345.3797 0.8262330 345.8618 0.1549380 346.3439 0.1564330 346.8260 0.5750730 347.3081 1.306946 347.7903 2.297913 348.2724 3.208008 348.7545 3.937164 349.2366 4.548157 349.7187 5.298431 350.2008 6.162415 350.6830 6.656982 351.1651 6.081848 351.6472 4.890198 352.1293 4.163116 352.6114 4.144623 353.0935 4.470245 353.5757 5.139465 354.0578 5.912292 354.5399 5.971741 355.0220 4.428864 355.5041 2.107513 355.9862 8.3801001E-02 356.4684 2.064026 356.9505 3.749542 357.4326 4.815674 357.9147 5.570190 358.3968 6.508423 358.8789 7.882294 359.3611 9.480682 359.8432 11.29333 360.3253 13.30212 360.8074 15.09442 361.2895 16.25998 361.7716 17.22113 362.2538 18.35165 362.7359 19.26477 363.2180 20.91623 363.7001 24.30377 364.1822 28.91055 364.6643 32.73123 365.1465 34.71332 365.6286 36.15118 366.1107 37.67276 366.5928 39.23111 367.0749 41.16101 367.5570 44.38132 368.0392 47.88913 368.5213 49.95721 369.0034 49.00296 369.4855 47.90344 369.9676 47.57428 370.4497 48.31888 370.9319 48.21036 371.4140 46.65582 371.8961 44.59305 372.3782 42.92670 372.8603 41.76944 373.3424 40.81430 373.8246 40.15695 374.3067 39.72519 374.7888 38.76862 375.2709 36.82971 375.7530 35.14194 376.2351 34.62473 376.7173 35.63742 377.1994 36.38849 377.6815 36.69601 378.1636 36.77951 378.6457 37.01483 379.1278 37.36267 379.6100 38.15182 380.0921 39.61282 380.5742 41.72552 381.0563 44.24942 381.5384 47.34488 382.0205 50.21332 382.5027 51.63492 382.9848 51.74756 383.4669 51.71652 383.9490 51.87408 384.4311 52.15961 384.9132 52.52371 385.3954 52.95251 385.8775 53.22293 386.3596 52.47290 386.8417 51.47787 387.3238 52.12024 387.8059 55.38068 388.2881 59.13785 388.7702 60.70602 389.2523 60.71109 389.7344 61.23563 390.2165 63.63376 390.6986 67.01227 391.1808 70.65164 391.6629 74.55945 392.1450 78.50378 392.6271 82.46442 393.1092 86.24030 393.5913 89.58807 394.0735 92.06943 394.5556 94.66101 395.0377 97.95032 395.5198 101.6161 396.0019 104.6336 396.4840 106.5191 396.9662 108.1317 397.4483 109.7746 397.9304 111.0849 398.4125 112.8035 398.8946 115.5999 399.3767 118.9149 399.8589 121.4447 400.3410 122.5613 400.8231 123.5078 401.3052 124.6557 401.7873 126.1074 402.2694 126.7576 402.7516 126.4717 403.2337 125.7641 403.7158 125.0784 404.1979 124.4977 404.6800 123.5880 405.1621 122.1372 405.6443 120.2296 406.1264 118.8240 406.6085 118.3876 407.0906 117.3022 407.5727 114.0496 408.0548 108.3976 408.5370 103.5800 409.0191 100.2963 409.5012 97.56207 409.9833 93.40961 410.4654 87.80353 410.9475 82.06903 411.4297 76.86462 411.9118 72.02570 412.3939 67.06158 412.8760 62.12109 413.3581 57.42017 413.8402 52.72809 414.3224 48.38922 414.8045 45.27771 415.2866 44.02661 415.7687 43.60431 416.2508 42.79755 416.7329 41.76410 417.2151 41.14996 417.6972 41.06995 418.1793 41.73511 418.6614 43.42194 419.1435 46.23419 419.6256 49.68127 420.1078 54.01837 420.5899 58.67041 421.0720 62.96149 421.5541 65.78284 422.0362 68.92017 422.5183 73.10706 423.0005 78.32715 423.4826 84.16138 423.9647 91.63269 424.4468 98.97516 424.9289 104.8811 425.4110 107.4700 425.8932 110.8644 426.3753 116.1694 426.8574 122.2578 427.3395 126.5841 427.8216 128.9263 428.3037 129.6972 428.7859 128.8065 429.2680 126.0350 429.7501 123.0594 430.2322 119.9578 430.7143 116.5350 431.1964 112.5432 431.6786 107.8817 432.1607 103.1792 432.6428 98.52686 433.1249 93.94690 433.6070 89.51038 434.0891 85.23206 434.5713 81.05615 435.0534 76.71735 435.5355 72.41254 436.0176 69.12799 436.4997 67.11902 436.9818 65.45276 437.4640 62.91888 437.9461 59.75342 438.4282 56.70581 438.9103 54.46094 439.3924 52.25012 439.8745 48.79700 440.3566 44.28754 440.8387 40.06708 441.3209 37.55817 441.8030 35.53839 442.2851 32.59363 442.7672 27.85651 443.2493 23.42981 443.7314 20.81036 444.2136 19.22845 444.6957 17.34442 445.1778 14.92932 445.6599 11.92755 446.1420 7.789429 446.6241 2.279053 447.1063 1.768372 447.5884 2.843811 448.0705 3.003723 448.5526 3.778259 449.0347 5.987244 449.5168 7.689026 449.9990 8.679016 450.4811 9.119324 450.9632 9.503845 451.4453 10.02936 451.9274 10.11481 452.4095 9.348206 452.8917 7.638977 453.3738 6.617126 453.8559 6.638794 454.3380 6.527832 454.8201 4.845764 455.3022 1.594055 455.7844 1.923767 456.2665 5.680908 456.7486 9.206787 457.2307 11.13995 457.7128 11.59027 458.1949 12.26129 458.6771 14.83337 459.1592 18.25714 459.6413 20.29034 460.1234 20.68170 460.6055 20.43256 461.0876 19.98767 461.5698 19.58551 462.0519 19.63458 462.5340 20.75208 463.0161 21.93829 463.4982 22.01099 463.9803 21.41150 464.4625 22.06024 464.9446 26.27197 465.4267 30.91077 465.9088 33.77759 466.3909 33.50159 466.8730 34.61285 467.3552 38.41644 467.8373 43.94073 468.3194 49.97205 468.8015 56.90521 469.2836 63.76611 469.7657 70.39264 470.2479 76.84125 470.7300 83.13763 471.2121 89.20160 471.6942 95.21198 472.1763 101.2866 472.6584 107.3493 473.1406 113.3403 473.6227 119.0099 474.1048 124.9693 474.5869 132.6179 475.0690 142.0063 475.5511 150.4161 476.0333 156.4488 476.5154 161.2023 476.9975 167.2308 477.4796 174.5621 477.9617 183.7039 478.4438 196.2249 478.9260 210.5586 479.4081 223.4457 479.8902 233.9995 480.3723 245.1486 480.8544 259.8151 481.3365 276.8870 481.8187 294.4520 482.3008 312.1515 482.7829 329.7274 483.2650 347.6117 483.7471 365.6876 484.2292 382.4634 484.7114 398.0157 485.1935 411.9521 485.6756 424.0157 486.1577 434.8914 486.6398 442.6937 487.1219 446.6575 487.6041 447.6815 488.0862 446.7262 488.5683 443.1631 489.0504 438.5845 489.5325 432.8555 490.0146 426.2210 490.4968 420.7178 490.9789 416.3146 491.4610 413.2227 491.9431 411.4522 492.4252 411.0129 492.9073 412.2825 493.3895 415.0897 493.8716 420.2387 494.3537 428.9031 494.8358 440.9145 495.3179 455.9067 495.8000 474.3974 496.2822 495.1121 496.7643 515.8597 497.2464 537.0290 497.7285 559.6545 498.2106 584.1365 498.6927 610.7535 499.1749 641.0195 499.6570 675.7334 500.1391 709.9124 500.6212 742.3802 501.1033 772.0967 501.5854 798.2301 502.0676 821.4510 502.5497 839.6114 503.0318 852.0512 503.5139 858.9446 503.9960 861.5085 504.4781 861.4957 504.9603 855.6802 505.4424 842.7267 505.9245 821.8055 506.4066 796.5396 506.8887 765.6582 507.3708 732.0983 507.8530 698.1152 508.3351 664.0760 508.8172 630.2180 509.2993 596.1599 509.7814 562.7786 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