#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:26 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1230 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000642.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_1000642 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 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 R060221.rod _rod_data_source.block 3500000 _rod_database.code 1000642 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 150.1633 0.0000000E+00 150.6454 0.7609240 151.1275 1.847479 151.6096 3.727062 152.0917 2.167425 152.5739 0.2678930 153.0560 0.6454930 153.5381 2.3704000E-02 154.0202 1.490293 154.5023 2.412958 154.9844 3.576079 155.4665 4.070296 155.9487 2.718037 156.4308 0.9157210 156.9129 0.3137300 157.3950 0.7395790 157.8771 0.5533010 158.3592 2.6392000E-02 158.8414 1.089507 159.3235 2.319967 159.8056 3.713560 160.2877 5.177546 160.7698 6.545074 161.2519 7.712512 161.7341 8.942158 162.2162 11.02157 162.6983 14.73793 163.1804 18.31296 163.6625 21.30864 164.1446 24.07541 164.6268 27.03587 165.1089 30.45231 165.5910 34.24539 166.0731 38.00599 166.5552 41.48331 167.0373 45.20141 167.5195 49.39396 168.0016 53.91623 168.4837 58.51337 168.9658 63.01504 169.4479 67.45260 169.9300 71.83699 170.4122 76.13203 170.8943 80.47960 171.3764 84.89497 171.8585 89.38566 172.3406 94.05911 172.8227 99.02473 173.3049 104.2105 173.7870 109.1810 174.2691 113.5434 174.7512 117.9901 175.2333 123.3114 175.7154 129.5776 176.1976 135.6266 176.6797 140.4803 177.1618 144.4536 177.6439 148.1337 178.1260 151.8088 178.6081 155.2038 179.0903 157.9518 179.5724 160.0149 180.0545 161.4714 180.5366 161.8789 181.0187 161.7932 181.5008 162.1408 181.9830 163.7743 182.4651 166.0942 182.9472 167.2394 183.4293 166.9279 183.9114 165.7095 184.3935 163.3656 184.8757 160.4863 185.3578 158.0799 185.8399 156.9576 186.3220 156.9699 186.8041 156.5146 187.2862 154.9808 187.7684 153.6003 188.2505 152.7942 188.7326 152.4177 189.2147 152.1492 189.6968 151.9600 190.1789 151.9623 190.6611 152.4644 191.1432 153.5271 191.6253 154.7231 192.1074 156.2189 192.5895 157.7785 193.0716 158.9063 193.5538 159.6745 194.0359 160.0052 194.5180 160.2819 195.0001 160.5696 195.4822 160.6644 195.9643 160.1537 196.4465 159.1115 196.9286 157.9809 197.4107 157.3128 197.8928 157.2666 198.3749 155.7294 198.8570 151.3918 199.3392 146.7202 199.8213 143.4955 200.3034 141.7766 200.7855 140.2360 201.2676 137.6248 201.7497 133.8553 202.2319 130.2470 202.7140 127.0303 203.1961 123.8859 203.6782 120.5794 204.1603 117.0780 204.6424 113.3089 205.1246 108.9277 205.6067 104.1045 206.0888 99.72726 206.5709 96.29094 207.0530 93.27505 207.5351 89.90982 208.0173 86.04234 208.4994 82.26709 208.9815 79.31747 209.4636 76.83130 209.9457 74.07760 210.4278 70.57077 210.9100 66.60892 211.3921 62.81840 211.8742 59.15882 212.3563 55.75804 212.8384 52.58039 213.3205 49.67872 213.8027 47.21534 214.2848 45.52279 214.7669 44.30889 215.2490 42.54603 215.7311 39.81721 216.2132 37.25275 216.6954 35.74918 217.1775 34.66401 217.6596 32.79449 218.1417 29.07683 218.6238 23.97750 219.1059 20.35709 219.5881 19.33834 220.0702 18.57558 220.5523 17.56389 221.0344 16.29162 221.5165 14.68728 221.9986 12.55894 222.4808 10.07376 222.9629 8.818123 223.4450 10.36446 223.9271 11.57989 224.4092 11.90604 224.8913 11.44457 225.3735 10.42325 225.8556 8.945958 226.3377 7.062052 226.8198 5.207551 227.3019 3.227663 227.7840 1.453655 228.2662 0.1348040 228.7483 0.9389710 229.2304 2.217681 229.7125 2.475305 230.1946 0.1589780 230.6767 0.9429710 231.1589 0.3239970 231.6410 1.427874 232.1231 1.814793 232.6052 1.585260 233.0873 0.8914380 233.5694 0.2720970 234.0516 1.732733 234.5337 2.157398 235.0158 0.6099330 235.4979 0.7319300 235.9800 0.9893720 236.4621 0.5594320 236.9443 0.3217680 237.4264 0.7564860 237.9085 1.763166 238.3906 2.876007 238.8727 1.554892 239.3548 0.2556530 239.8370 0.1630280 240.3191 1.8012000E-02 240.8012 8.9544997E-02 241.2833 0.7867000 241.7654 1.929450 242.2475 2.928562 242.7297 3.424352 243.2118 4.344307 243.6939 6.529004 244.1760 9.526957 244.6581 11.93651 245.1402 13.04927 245.6224 13.38525 246.1045 13.99294 246.5866 14.84076 247.0687 15.96654 247.5508 17.54676 248.0329 19.53076 248.5151 21.40372 248.9972 22.79757 249.4793 24.07735 249.9614 26.08742 250.4435 29.11737 250.9256 31.76173 251.4078 33.32043 251.8899 33.86165 252.3720 33.84690 252.8541 32.85433 253.3362 32.19028 253.8183 33.23796 254.3005 35.98539 254.7826 38.97911 255.2647 41.39721 255.7468 43.35591 256.2289 45.22562 256.7110 47.08657 257.1931 48.88729 257.6753 50.61047 258.1574 52.25903 258.6395 53.64501 259.1216 54.32203 259.6037 54.49738 260.0858 55.46454 260.5680 58.10598 261.0501 60.49835 261.5322 61.23144 262.0143 60.73462 262.4964 60.31908 262.9785 60.75518 263.4607 61.96443 263.9428 63.60780 264.4249 66.28762 264.9070 68.48839 265.3891 69.09978 265.8712 68.77811 266.3534 68.86774 266.8355 70.38102 267.3176 72.90836 267.7997 74.65340 268.2818 75.06013 268.7639 75.49793 269.2461 76.70706 269.7282 78.21769 270.2103 79.28868 270.6924 79.42914 271.1745 78.98188 271.6566 79.08580 272.1388 80.04150 272.6209 81.07486 273.1030 82.22302 273.5851 83.23544 274.0672 83.75230 274.5493 83.57983 275.0315 82.99804 275.5136 82.72058 275.9957 82.98663 276.4778 83.10504 276.9599 82.71260 277.4420 82.26324 277.9242 82.26981 278.4063 82.90835 278.8884 83.76540 279.3705 84.02806 279.8526 83.34008 280.3347 82.81170 280.8169 82.83730 281.2990 82.86764 281.7811 82.44330 282.2632 81.47734 282.7453 80.29124 283.2274 79.37019 283.7096 78.87457 284.1917 78.24933 284.6738 77.79235 285.1559 76.99024 285.6380 75.32768 286.1201 72.86925 286.6023 70.17281 287.0844 67.89336 287.5665 66.18448 288.0486 64.36559 288.5307 62.39508 289.0128 60.38832 289.4950 58.17793 289.9771 55.82784 290.4592 53.61175 290.9413 51.89260 291.4234 50.76743 291.9055 48.47404 292.3877 43.92993 292.8698 39.56310 293.3519 35.89106 293.8340 32.88723 294.3161 30.42459 294.7982 28.44979 295.2804 26.93566 295.7625 25.53924 296.2446 24.73139 296.7267 23.67451 297.2088 21.96299 297.6909 19.79203 298.1731 17.50695 298.6552 15.31997 299.1373 13.23972 299.6194 11.29313 300.1015 9.143038 300.5836 7.593294 301.0658 7.212975 301.5479 7.265118 302.0300 6.886113 302.5121 5.750028 302.9942 4.280674 303.4763 3.388297 303.9585 4.051093 304.4406 3.785578 304.9227 1.506459 305.4048 0.9805040 305.8869 1.470506 306.3690 1.339236 306.8512 0.1054440 307.3333 3.0789999E-02 307.8154 1.494017 308.2975 0.5775870 308.7796 1.406499 309.2617 0.9228340 309.7439 0.5905120 310.2260 1.011931 310.7081 1.641193 311.1902 1.201222 311.6723 1.056832 312.1544 0.7620880 312.6366 0.2121540 313.1187 0.8062170 313.6008 0.3994770 314.0829 0.7485550 314.5650 1.270314 315.0471 0.3210410 315.5293 0.3227840 316.0114 0.8355310 316.4935 1.214298 316.9756 1.484540 317.4577 1.391256 317.9398 1.235145 318.4220 1.366088 318.9041 1.950908 319.3862 3.080010 319.8683 5.108624 320.3504 10.07952 320.8326 13.40564 321.3147 13.76574 321.7968 12.87748 322.2789 12.28515 322.7610 12.47653 323.2431 13.07750 323.7253 13.41011 324.2074 13.23826 324.6895 13.57724 325.1716 14.68633 325.6537 15.90700 326.1358 16.92887 326.6180 17.68793 327.1001 18.22451 327.5822 18.52903 328.0643 18.48877 328.5464 18.97265 329.0285 20.05225 329.5107 21.37156 329.9928 23.21288 330.4749 25.26390 330.9570 26.79085 331.4391 27.20541 331.9212 26.58333 332.4034 26.03844 332.8855 25.17857 333.3676 24.84511 333.8497 25.80764 334.3318 27.25042 334.8139 27.93403 335.2961 27.21752 335.7782 25.66521 336.2603 24.96273 336.7424 25.87778 337.2245 26.54064 337.7066 26.64458 338.1888 26.55677 338.6709 26.59048 339.1530 26.83476 339.6351 27.18366 340.1172 27.59367 340.5993 28.47460 341.0815 28.31062 341.5636 25.70539 342.0457 23.35408 342.5278 23.18564 343.0099 24.89930 343.4920 26.58069 343.9742 26.26914 344.4563 23.79571 344.9384 22.48852 345.4205 23.77465 345.9026 24.90166 346.3847 25.09576 346.8669 24.61847 347.3490 24.04147 347.8311 23.72209 348.3132 23.54206 348.7953 23.01378 349.2774 21.81417 349.7596 20.74982 350.2417 19.93965 350.7238 19.33035 351.2059 19.01569 351.6880 19.01248 352.1701 18.92363 352.6523 17.90387 353.1344 15.39012 353.6165 13.68925 354.0986 13.65701 354.5807 14.00057 355.0628 14.03400 355.5450 13.69636 356.0271 13.31164 356.5092 13.32840 356.9913 13.78357 357.4734 13.61882 357.9555 12.34409 358.4377 10.95851 358.9198 9.755982 359.4019 8.818450 359.8840 8.266001 360.3661 8.256945 360.8482 8.530574 361.3304 8.313737 361.8125 7.245995 362.2946 6.331789 362.7767 6.408762 363.2588 6.545973 363.7409 5.818679 364.2231 3.889557 364.7052 1.911852 365.1873 1.521758 365.6694 2.778484 366.1515 3.975515 366.6336 4.682897 367.1158 5.003365 367.5979 4.870744 368.0800 4.302688 368.5621 3.684615 369.0442 3.433521 369.5263 3.453836 370.0085 3.126124 370.4906 2.109386 370.9727 1.324337 371.4548 1.795423 371.9369 2.989340 372.4190 3.736302 372.9012 3.454717 373.3833 2.627579 373.8654 1.950502 374.3475 1.508551 374.8296 1.205597 375.3117 1.251884 375.7939 1.425409 376.2760 1.523907 376.7581 1.421901 377.2402 1.057371 377.7223 0.2919160 378.2044 0.1433780 378.6866 1.173274 379.1687 1.855341 379.6508 2.103270 380.1329 1.479195 380.6150 1.4895000E-02 381.0971 0.5212230 381.5793 0.5713570 382.0614 0.2402660 382.5435 0.6560510 383.0256 1.986541 383.5077 3.191372 383.9898 3.416054 384.4720 2.734989 384.9541 2.077806 385.4362 1.082320 385.9183 0.4728400 386.4004 0.7691730 386.8825 1.840248 387.3647 3.416837 387.8468 5.613997 388.3289 7.836203 388.8110 8.339934 389.2931 6.364991 389.7752 4.707339 390.2574 3.746376 390.7395 3.486187 391.2216 4.177083 391.7037 5.826450 392.1858 7.697167 392.6679 8.934990 393.1501 9.400577 393.6322 9.841903 394.1143 9.922871 394.5964 10.28184 395.0785 11.53165 395.5606 13.40354 396.0428 15.04836 396.5249 15.89605 397.0070 16.12013 397.4891 16.69138 397.9712 17.93518 398.4533 19.13697 398.9355 20.14963 399.4176 21.11705 399.8997 22.26728 400.3818 23.64685 400.8639 25.03641 401.3460 26.15089 401.8282 27.11507 402.3103 27.40097 402.7924 26.35778 403.2745 25.31535 403.7566 24.87374 404.2387 25.02304 404.7209 25.57024 405.2030 26.50425 405.6851 27.67716 406.1672 27.85576 406.6493 26.31869 407.1314 24.77187 407.6136 23.66458 408.0957 22.73499 408.5778 21.64455 409.0599 20.27374 409.5420 18.87843 410.0241 17.92307 410.5063 17.55524 410.9884 16.85907 411.4705 15.59970 411.9526 14.04208 412.4347 12.22555 412.9168 10.21723 413.3990 8.215230 413.8811 6.284761 414.3632 4.471109 414.8453 2.961410 415.3274 1.816214 415.8095 0.8325200 416.2917 9.4222002E-02 416.7738 0.9310640 417.2559 1.646031 417.7380 1.572922 418.2201 1.247035 418.7022 1.663489 419.1844 1.360459 419.6665 1.037360 420.1486 2.095628 420.6307 0.7877020 421.1128 0.7940480 421.5949 2.113217 422.0771 1.730547 422.5592 1.251214 423.0413 0.9971740 423.5234 1.914105 424.0055 1.275490 424.4876 0.4011190 424.9698 0.2718720 425.4519 0.7608060 425.9340 0.9159890 426.4161 0.2881830 426.8982 0.1878070 427.3803 4.3228999E-02 427.8625 0.7181570 428.3446 1.309821 428.8267 1.635585 429.3088 1.759485 429.7909 1.865384 430.2730 2.299312 430.7552 1.782454 431.2373 0.9766540 431.7194 2.160049 432.2015 1.490631 432.6836 2.600060 433.1657 2.468219 433.6479 3.009214 434.1300 0.9305340 434.6121 0.1375010 435.0942 1.311619 435.5763 2.101545 436.0584 1.306673 436.5406 0.2461480 437.0227 1.710841 437.5048 2.770792 437.9869 3.339326 438.4690 3.022201 438.9511 1.362429 439.4333 0.3979830 439.9154 0.3881150 440.3975 0.8937930 440.8796 1.971815 441.3617 3.390312 441.8438 4.764404 442.3260 5.920748 442.8081 6.796852 443.2902 7.084852 443.7723 6.592259 444.2544 6.036376 444.7365 5.165947 445.2187 4.591897 445.7008 5.248374 446.1829 7.403624 446.6650 9.382009 447.1471 9.144321 447.6292 7.226966 448.1114 6.788866 448.5935 8.818315 449.0756 11.34717 449.5577 12.83772 450.0398 13.50309 450.5219 13.85595 451.0041 13.68533 451.4862 13.50273 451.9683 13.73099 452.4504 14.36688 452.9325 15.42343 453.4146 17.00339 453.8968 18.89170 454.3789 20.64774 454.8610 22.27707 455.3431 23.79465 455.8252 24.79947 456.3073 25.91629 456.7895 28.04589 457.2716 31.21396 457.7537 34.44388 458.2358 36.83830 458.7179 38.40187 459.2000 40.58601 459.6822 44.36864 460.1643 47.55077 460.6464 48.59574 461.1285 48.97473 461.6106 51.09448 462.0927 55.78446 462.5748 61.27456 463.0569 64.37461 463.5391 63.54907 464.0212 64.46179 464.5033 67.94136 464.9854 72.24821 465.4675 77.08716 465.9496 82.10522 466.4318 86.69457 466.9139 90.38070 467.3960 93.47761 467.8781 96.93385 468.3602 100.7234 468.8423 104.9884 469.3245 110.2325 469.8066 115.7165 470.2887 120.7442 470.7708 125.2343 471.2529 129.8953 471.7350 135.3571 472.2172 141.4635 472.6993 147.5258 473.1814 153.4465 473.6635 159.4412 474.1456 165.7802 474.6277 172.2520 475.1099 178.3561 475.5920 183.9299 476.0741 189.2804 476.5562 194.6175 477.0383 199.9125 477.5204 204.9108 478.0026 209.3275 478.4847 213.7083 478.9668 218.7640 479.4489 224.7896 479.9310 229.8996 480.4131 233.6925 480.8953 236.5206 481.3774 238.5251 481.8595 239.8593 482.3416 240.4730 482.8237 240.2431 483.3058 239.4415 483.7880 238.9768 484.2701 239.8419 484.7522 239.6461 485.2343 237.6964 485.7164 235.1114 486.1985 232.5793 486.6807 230.2930 487.1628 228.2664 487.6449 226.4053 488.1270 224.7340 488.6091 223.9599 489.0912 224.7053 489.5734 225.4321 490.0555 225.3420 490.5376 225.0985 491.0197 225.5326 491.5018 226.8286 491.9839 229.1726 492.4661 232.7456 492.9482 237.3160 493.4303 241.8992 493.9124 246.2425 494.3945 251.1163 494.8766 256.7668 495.3588 263.2753 495.8409 271.0954 496.3230 280.8670 496.8051 291.5075 497.2872 302.0385 497.7693 312.6128 498.2515 324.0216 498.7336 336.7386 499.2157 349.8005 499.6978 361.6982 500.1799 372.0654 500.6620 382.7144 501.1442 394.1871 501.6263 405.6233 502.1084 416.9823 502.5905 427.8650 503.0726 437.4211 503.5547 445.0997 504.0369 452.4186 504.5190 456.7219 505.0011 462.6635 505.4832 466.4277 505.9653 468.0441 506.4474 467.5652 506.9296 464.6443 507.4117 459.5361 507.8938 453.2120 508.3759 446.5334 508.8580 439.2873 509.3401 430.5403 509.8223 420.1238 510.3044 408.4737 510.7865 395.0519 511.2686 380.8556 511.7507 366.8434 512.2328 353.1836 512.7150 339.3341 513.1971 324.6600 513.6792 309.4542 514.1613 294.4130 514.6434 279.6507 515.1255 264.7488 515.6077 248.9521 516.0898 232.7397 516.5719 218.1392 517.0540 205.9484 517.5361 194.5677 518.0182 183.5814 518.5004 172.8508 518.9825 161.9766 519.4646 150.8196 519.9467 140.1305 520.4288 130.8499 520.9109 123.1834 521.3931 115.5009 521.8752 107.1917 522.3573 99.42660 522.8394 92.98682 523.3215 87.26043 523.8036 81.31792 524.2858 74.78947 524.7679 68.06902 525.2500 61.95030 525.7321 56.46741 526.2142 51.65413 526.6964 47.88335 527.1785 44.21110 527.6606 40.12217 528.1427 35.77618 528.6248 31.43816 529.1069 27.10714 529.5891 23.00360 530.0712 19.49805 530.5533 16.61501 531.0354 14.39754 531.5175 13.12589 531.9996 12.13424 532.4818 10.52089 532.9639 8.360373 533.4460 6.425755 533.9281 5.069977 534.4102 3.825746 534.8923 2.245547 535.3745 0.4863420 535.8566 1.134756 536.3387 2.540140 536.8208 3.563012 537.3029 3.694734 537.7850 2.071712 538.2672 1.194849 538.7493 2.024206 539.2314 2.803742 539.7135 2.171124 540.1956 0.5224260 540.6777 0.8034720 541.1599 0.8689570 541.6420 0.3495830 542.1241 1.178402 542.6062 3.843223 543.0883 6.348335 543.5704 8.180581 544.0526 9.905194 544.5347 11.98829 545.0168 14.29426 545.4989 16.17923 545.9810 16.67249 546.4631 16.89554 546.9453 18.90657 547.4274 22.63529 547.9095 26.10374 548.3916 28.54727 548.8737 30.41533 549.3558 32.44865 549.8380 34.55809 550.3201 36.89877 550.8022 39.67856 551.2843 42.69958 551.7664 45.76115 552.2485 48.80731 552.7307 52.01778 553.2128 55.59079 553.6949 59.24812 554.1770 62.08438 554.6591 63.36523 555.1412 65.05753 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