#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:30 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1231 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000643.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_1000643 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 R060275 _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 R060275.rod _rod_data_source.block 3500000 _rod_database.code 1000643 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 105.5146 0.0000000E+00 105.9967 0.8457030 106.4788 0.1247560 106.9609 0.4948730 107.4431 3.625977 107.9252 7.907471 108.4073 11.57178 108.8894 13.89941 109.3715 15.34009 109.8536 16.59180 110.3358 17.77124 110.8179 18.37891 111.3000 17.14526 111.7821 14.25488 112.2642 13.29761 112.7463 18.11963 113.2285 24.02905 113.7106 26.53711 114.1927 24.28540 114.6748 20.89014 115.1569 20.34985 115.6390 23.27759 116.1212 26.23120 116.6033 28.02148 117.0854 28.63696 117.5675 28.36084 118.0496 27.72607 118.5317 26.88672 119.0139 26.18262 119.4960 24.26953 119.9781 23.24146 120.4602 24.51855 120.9423 28.14648 121.4244 34.55908 121.9066 40.52954 122.3887 43.67114 122.8708 42.57446 123.3529 37.16333 123.8350 32.33569 124.3171 28.00562 124.7993 25.04712 125.2814 23.20410 125.7635 21.09570 126.2456 18.75098 126.7277 17.42944 127.2098 17.93457 127.6920 19.28711 128.1741 20.83594 128.6562 22.67407 129.1383 23.94531 129.6204 23.29468 130.1025 20.96313 130.5847 18.12964 131.0668 15.10791 131.5489 11.91846 132.0310 8.487061 132.5131 3.974854 132.9952 0.2250980 133.4774 1.109131 133.9595 1.1230000E-02 134.4416 1.816650 134.9237 3.285889 135.4058 4.558105 135.8879 4.529541 136.3701 1.155273 136.8522 2.341064 137.3343 4.345459 137.8164 4.423340 138.2985 2.775879 138.7806 0.8391110 139.2628 9.761230 139.7449 14.19385 140.2270 10.53662 140.7091 4.039063 141.1912 0.9562990 141.6733 2.475342 142.1555 1.135498 142.6376 1.055176 143.1197 5.818604 143.6018 9.485107 144.0839 10.47363 144.5660 10.20361 145.0482 11.04150 145.5303 14.48706 146.0124 20.09399 146.4945 24.63623 146.9766 28.99097 147.4587 31.71680 147.9409 31.06177 148.4230 27.74097 148.9051 24.98462 149.3872 25.19580 149.8693 28.04224 150.3514 30.24902 150.8336 31.14453 151.3157 31.78003 151.7978 33.31055 152.2799 35.92383 152.7620 38.31201 153.2441 39.13867 153.7263 39.08447 154.2084 39.22876 154.6905 39.91479 155.1726 41.04126 155.6547 42.30054 156.1368 43.38623 156.6190 45.23853 157.1011 49.08594 157.5832 53.95459 158.0653 57.94775 158.5474 59.36450 159.0295 58.45679 159.5117 58.71484 159.9938 62.30933 160.4759 64.88647 160.9580 63.80933 161.4401 60.18506 161.9222 57.05981 162.4044 57.61572 162.8865 63.23755 163.3686 66.61475 163.8507 66.11035 164.3328 64.28442 164.8149 61.52686 165.2971 58.24146 165.7792 55.20972 166.2613 53.23901 166.7434 52.29224 167.2255 53.27661 167.7076 59.65625 168.1898 65.39746 168.6719 65.04102 169.1540 57.86377 169.6361 48.62012 170.1182 43.56055 170.6003 44.25562 171.0825 45.91650 171.5646 48.25806 172.0467 51.33618 172.5288 55.90137 173.0109 62.41992 173.4930 68.69434 173.9752 70.05493 174.4573 66.00903 174.9394 63.41040 175.4215 64.96973 175.9036 69.32422 176.3857 73.87012 176.8679 78.69678 177.3500 82.21631 177.8321 81.39795 178.3142 75.73071 178.7963 71.57788 179.2784 74.21191 179.7606 82.69580 180.2427 89.06592 180.7248 89.37939 181.2069 88.32593 181.6890 90.20044 182.1711 95.42505 182.6533 101.5249 183.1354 105.9456 183.6175 108.3831 184.0996 111.6182 184.5817 117.9917 185.0638 124.3662 185.5460 128.9792 186.0281 131.4412 186.5102 132.3003 186.9923 131.6375 187.4744 127.7878 187.9565 126.9419 188.4387 133.2175 188.9208 140.3164 189.4029 142.8855 189.8850 139.4956 190.3671 133.7542 190.8492 132.8552 191.3314 141.5659 191.8135 147.8071 192.2956 148.6846 192.7777 148.1038 193.2598 150.2610 193.7419 156.6575 194.2241 164.5825 194.7062 167.6128 195.1883 158.9424 195.6704 153.2722 196.1525 154.5938 196.6346 158.1499 197.1168 157.3381 197.5989 148.9558 198.0810 136.4082 198.5631 129.9390 199.0452 134.3740 199.5273 137.8838 200.0095 138.5427 200.4916 137.3298 200.9737 135.4824 201.4558 133.2000 201.9379 131.0239 202.4200 131.0095 202.9022 135.5046 203.3843 137.8892 203.8664 134.2783 204.3485 126.5090 204.8306 119.5559 205.3127 115.2817 205.7949 113.4812 206.2770 113.9495 206.7591 118.8997 207.2412 121.3784 207.7233 116.0029 208.2054 103.8689 208.6876 91.74268 209.1697 81.65942 209.6518 73.64355 210.1339 67.62354 210.6160 64.21948 211.0981 61.09692 211.5803 56.04419 212.0624 49.06567 212.5445 42.72070 213.0266 38.22583 213.5087 34.71191 213.9908 31.67358 214.4730 29.22754 214.9551 26.40088 215.4372 21.42822 215.9193 13.63013 216.4014 7.881592 216.8836 7.618652 217.3657 8.833984 217.8478 9.053711 218.3299 7.681885 218.8120 5.484863 219.2941 2.909180 219.7763 0.9887700 220.2584 2.046387 220.7405 3.819336 221.2226 10.51294 221.7047 13.63696 222.1868 12.04712 222.6690 8.052002 223.1511 5.509766 223.6332 5.949707 224.1153 4.180176 224.5974 3.982422 225.0795 11.87646 225.5617 13.34668 226.0438 7.090088 226.5259 1.881104 227.0080 4.495117 227.4901 4.261475 227.9722 10.41357 228.4544 12.80884 228.9365 13.23120 229.4186 12.84644 229.9007 12.04565 230.3828 10.65039 230.8649 8.216797 231.3471 2.629883 231.8292 0.4414060 232.3113 1.060791 232.7934 3.664795 233.2755 4.351807 233.7576 2.355225 234.2398 0.7377930 234.7219 2.260254 235.2040 0.7924800 235.6861 0.1721190 236.1682 0.8000490 236.6503 2.010742 237.1325 3.187256 237.6146 4.161865 238.0967 5.253662 238.5788 7.061279 239.0609 10.39404 239.5430 12.39673 240.0252 12.07422 240.5073 10.81396 240.9894 9.576904 241.4715 8.601563 241.9536 8.549805 242.4357 10.47583 242.9179 14.74634 243.4000 19.53979 243.8821 26.41919 244.3642 32.94653 244.8463 35.72485 245.3284 33.93994 245.8106 31.16724 246.2927 31.92163 246.7748 36.36108 247.2569 39.86328 247.7390 41.93188 248.2211 42.64624 248.7033 41.37354 249.1854 37.70850 249.6675 34.46802 250.1496 35.22729 250.6317 39.34937 251.1138 42.67871 251.5960 43.19263 252.0781 42.95239 252.5602 45.10229 253.0423 50.31592 253.5244 55.58154 254.0065 57.92480 254.4887 58.17456 254.9708 58.39893 255.4529 58.89331 255.9350 59.73535 256.4171 60.93628 256.8992 62.42773 257.3813 64.60718 257.8635 68.93970 258.3456 74.08789 258.8277 77.63867 259.3098 77.64624 259.7919 76.38525 260.2740 77.49341 260.7562 81.61133 261.2383 85.24438 261.7204 85.13184 262.2025 83.61719 262.6846 83.80981 263.1667 87.62915 263.6489 92.25439 264.1310 92.79443 264.6131 87.86401 265.0952 84.89136 265.5773 90.09644 266.0594 97.84961 266.5416 102.7493 267.0237 102.8811 267.5058 101.0820 267.9879 100.8394 268.4700 102.2190 268.9521 105.0085 269.4343 111.1509 269.9164 117.6982 270.3985 121.9519 270.8806 123.0962 271.3627 123.6492 271.8448 127.6328 272.3270 136.3176 272.8091 141.8228 273.2912 138.4004 273.7733 133.5288 274.2554 131.7170 274.7375 133.7161 275.2197 137.3406 275.7018 140.1519 276.1839 141.8916 276.6660 144.3596 277.1481 150.0928 277.6302 154.7456 278.1124 155.2954 278.5945 152.2544 279.0766 148.8994 279.5587 148.6040 280.0408 151.6304 280.5229 155.5085 281.0051 163.1511 281.4872 169.0051 281.9693 169.8198 282.4514 166.1807 282.9335 161.2634 283.4156 158.6299 283.8978 158.8276 284.3799 157.2695 284.8620 150.7983 285.3441 144.5027 285.8262 140.6501 286.3083 138.5364 286.7905 136.0667 287.2726 131.6248 287.7547 125.4585 288.2368 119.8484 288.7189 114.7405 289.2010 110.6052 289.6832 107.1577 290.1653 104.3958 290.6474 103.1113 291.1295 104.4490 291.6116 106.9463 292.0938 103.6074 292.5759 88.26196 293.0580 75.56763 293.5401 69.11060 294.0222 66.29688 294.5043 64.62476 294.9865 63.04199 295.4686 61.25415 295.9507 58.39795 296.4328 53.39331 296.9149 49.28125 297.3970 46.62744 297.8792 44.76025 298.3613 43.33838 298.8434 42.19019 299.3255 40.95850 299.8076 38.87158 300.2897 35.01489 300.7719 32.40283 301.2540 32.33643 301.7361 32.48828 302.2182 31.06982 302.7003 27.96362 303.1824 24.60840 303.6646 22.76978 304.1467 22.86450 304.6288 23.00977 305.1109 21.96680 305.5930 22.01831 306.0751 24.80127 306.5573 29.87769 307.0394 35.55908 307.5215 40.64771 308.0036 45.28931 308.4857 47.38086 308.9678 43.35522 309.4500 40.19482 309.9321 39.35913 310.4142 40.96533 310.8963 44.98584 311.3784 51.69434 311.8605 60.67603 312.3427 68.59961 312.8248 76.47266 313.3069 81.90381 313.7890 81.40918 314.2711 79.20410 314.7532 80.90869 315.2354 89.45361 315.7175 102.7393 316.1996 115.1179 316.6817 129.5325 317.1638 137.8020 317.6459 134.1921 318.1281 127.4844 318.6102 126.2871 319.0923 133.0696 319.5744 142.9319 320.0565 147.3215 320.5386 142.0322 321.0208 141.2524 321.5029 146.5034 321.9850 154.6296 322.4671 165.9890 322.9492 179.4841 323.4313 190.8992 323.9135 194.7437 324.3956 188.8079 324.8777 186.4402 325.3598 189.4360 325.8419 194.3127 326.3240 200.7097 326.8062 208.0083 327.2883 215.2146 327.7704 221.6008 328.2525 227.1963 328.7346 232.7578 329.2167 240.0442 329.6989 245.1831 330.1810 246.3652 330.6631 245.0867 331.1452 243.4417 331.6273 242.5144 332.1094 242.1162 332.5916 241.5227 333.0737 239.9294 333.5558 239.6548 334.0379 242.8252 334.5200 246.4058 335.0021 247.0132 335.4843 243.6406 335.9664 238.9404 336.4485 237.0586 336.9306 238.4199 337.4127 241.3857 337.8948 250.3074 338.3770 257.2917 338.8591 255.9629 339.3412 246.7166 339.8233 236.2351 340.3055 231.9360 340.7876 234.7361 341.2697 234.5356 341.7518 227.8206 342.2339 221.4004 342.7160 219.1746 343.1982 219.4463 343.6803 217.6868 344.1624 209.8867 344.6445 197.7524 345.1266 190.1052 345.6087 189.6379 346.0909 189.5029 346.5730 188.1531 347.0551 185.5405 347.5372 181.2988 348.0193 174.9395 348.5014 167.9133 348.9836 163.1296 349.4657 161.5776 349.9478 159.0227 350.4299 153.5283 350.9120 147.1104 351.3941 141.0535 351.8763 135.6250 352.3584 130.5635 352.8405 125.4089 353.3226 120.0996 353.8047 116.2273 354.2868 116.4265 354.7690 115.4932 355.2511 108.7354 355.7332 97.50439 356.2153 87.81836 356.6974 85.27686 357.1795 87.69678 357.6617 85.99023 358.1438 77.95410 358.6259 70.22925 359.1080 67.31470 359.5901 67.04883 360.0722 65.99463 360.5544 62.60327 361.0365 58.28052 361.5186 55.27954 362.0007 53.90820 362.4828 51.42944 362.9649 45.39331 363.4471 38.39185 363.9292 33.51440 364.4113 31.42090 364.8934 29.80908 365.3755 26.08594 365.8576 20.95020 366.3398 18.75195 366.8219 22.09033 367.3040 26.40210 367.7861 26.41895 368.2682 22.32568 368.7503 17.94629 369.2325 14.12451 369.7146 11.23169 370.1967 10.71899 370.6788 13.49902 371.1609 15.24731 371.6430 10.82104 372.1252 2.191162 372.6073 3.583740 373.0894 4.625000 373.5715 3.639648 374.0536 1.544434 374.5357 1.308105 375.0179 2.346924 375.5000 0.2055660 375.9821 4.708252 376.4642 7.279785 376.9463 7.003174 377.4284 6.295654 377.9106 6.907227 378.3927 7.823242 378.8748 6.835449 379.3569 3.194824 379.8390 1.296631 380.3211 4.367920 380.8033 5.713135 381.2854 6.396729 381.7675 6.166260 382.2496 5.505859 382.7317 4.517822 383.2138 3.459473 383.6960 3.475342 384.1781 5.625244 384.6602 9.701416 385.1423 12.69507 385.6244 14.90942 386.1065 15.92920 386.5887 13.73633 387.0708 10.50244 387.5529 10.20825 388.0350 14.66528 388.5171 21.95142 388.9992 27.95166 389.4814 33.13257 389.9635 35.95410 390.4456 35.47290 390.9277 33.32568 391.4098 30.01318 391.8919 26.08496 392.3741 22.88379 392.8562 21.75562 393.3383 22.74341 393.8204 25.67285 394.3025 34.31274 394.7846 40.90137 395.2668 40.47290 395.7489 36.30127 396.2310 34.86450 396.7131 40.16479 397.1952 50.01172 397.6773 56.72485 398.1595 58.18018 398.6416 59.87378 399.1237 63.09131 399.6058 66.47021 400.0879 68.38281 400.5700 68.63159 401.0522 69.04492 401.5343 72.17065 402.0164 78.55518 402.4985 84.35327 402.9806 90.18823 403.4627 94.55469 403.9449 96.04639 404.4270 95.46680 404.9091 94.84570 405.3912 95.42847 405.8733 96.86865 406.3554 98.21484 406.8376 99.61060 407.3197 100.5129 407.8018 101.0850 408.2839 100.8972 408.7660 98.98608 409.2481 94.75317 409.7303 90.70068 410.2124 90.42358 410.6945 93.53809 411.1766 93.72559 411.6587 88.63184 412.1408 81.42456 412.6230 74.48535 413.1051 67.93555 413.5872 62.83618 414.0693 59.86377 414.5514 58.52710 415.0335 59.14355 415.5157 62.09741 415.9978 62.73486 416.4799 56.29614 416.9620 45.43994 417.4441 38.84619 417.9262 40.79468 418.4084 41.73633 418.8905 33.04150 419.3726 19.03369 419.8547 12.01050 420.3368 17.25342 420.8189 27.41772 421.3011 30.35034 421.7832 24.00024 422.2653 19.67310 422.7474 21.61743 423.2295 24.02515 423.7116 20.63599 424.1938 11.81519 424.6759 3.636719 425.1580 0.8666990 425.6401 3.228271 426.1222 5.525635 426.6043 10.06006 427.0865 11.87549 427.5686 7.863525 428.0507 0.9484860 428.5328 5.333984 429.0149 9.588135 429.4970 11.66016 429.9792 11.04639 430.4613 6.025635 430.9434 2.212402 431.4255 9.3262002E-02 431.9076 1.609375 432.3897 4.425537 432.8719 7.616699 433.3540 8.592041 433.8361 4.638428 434.3182 3.249512 434.8003 7.626221 435.2824 5.320068 435.7646 4.265869 436.2467 7.719482 436.7288 12.57251 437.2109 15.67090 437.6930 16.11523 438.1751 14.74536 438.6573 11.46240 439.1394 5.932373 439.6215 3.576904 440.1036 8.027832 440.5857 12.64111 441.0678 12.69580 441.5500 9.133301 442.0321 5.762207 442.5142 5.110107 442.9963 5.621094 443.4784 4.254639 443.9605 0.7763670 444.4427 2.768799 444.9248 5.425293 445.4069 7.477783 445.8890 9.403809 446.3711 11.15405 446.8532 13.00195 447.3354 15.50879 447.8175 18.17871 448.2996 19.66504 448.7817 19.50708 449.2638 19.19531 449.7459 20.65649 450.2281 24.02979 450.7102 25.76733 451.1923 23.43237 451.6744 21.46631 452.1565 22.74072 452.6386 26.76172 453.1208 31.84570 453.6029 37.26611 454.0850 42.73584 454.5671 47.46094 455.0492 50.96582 455.5313 54.31885 456.0135 57.90552 456.4956 61.11084 456.9777 62.92822 457.4598 63.58228 457.9419 64.63403 458.4240 67.42358 458.9062 71.95483 459.3883 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228.1323 1258.738 231.2756 1259.220 237.0554 1259.702 240.7383 1260.184 234.3589 1260.666 222.2954 1261.148 217.4421 1261.630 224.3608 1262.113 227.5967 1262.595 217.3630 1263.077 209.7798 1263.559 210.2144 1264.041 212.6189 1264.523 217.8650 1265.005 220.0708 1265.487 212.3320 1265.970 199.4851 1266.452 192.1067 1266.934 190.2861 1267.416 189.0977 1267.898 189.1709 1268.380 184.2839 1268.862 173.4871 1269.344 165.4902 1269.827 163.2576 1270.309 159.7031 1270.791 149.4451 1271.273 138.2812 1271.755 135.9158 1272.237 137.4109 1272.719 134.7839 1273.201 128.2837 1273.683 115.6680 1274.166 100.4299 1274.648 90.44629 1275.130 86.42261 1275.612 82.33667 1276.094 75.31030 1276.576 70.73926 1277.058 76.50024 1277.540 77.22681 1278.022 61.94946 1278.505 45.28076 1278.987 36.18530 1279.469 31.58716 1279.951 29.12329 1280.433 27.73291 1280.915 22.89844 1281.397 14.60425 1281.879 8.042725 1282.362 3.235596 1282.844 0.1472170 1283.326 1.123291 1283.808 0.3332520 1284.290 4.761719 1284.772 7.934814 1285.254 5.973145 1285.736 0.0000000E+00