#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:16 +0300 (Thu, 07 Jun 2018) $ #$Revision: 990 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000447.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_1000447 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 R060082 _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 R060082.rod _rod_data_source.block 3500000 _rod_database.code 1000447 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 137.6187 0.0000000E+00 138.1008 0.4559480 138.5829 0.4716950 139.0650 0.1998900 139.5472 8.9752004E-02 140.0293 6.2652998E-02 140.5114 0.1696010 140.9935 0.3247380 141.4756 0.2053070 141.9577 0.2005000 142.4399 0.8724210 142.9220 1.774460 143.4041 2.953262 143.8862 4.257889 144.3683 5.622772 144.8504 7.058334 145.3326 8.474792 145.8147 9.771393 146.2968 10.98404 146.7789 12.42178 147.2610 14.28699 147.7431 16.21449 148.2253 17.92223 148.7074 19.22063 149.1895 20.56149 149.6716 22.06456 150.1537 23.78244 150.6358 25.21577 151.1180 26.16368 151.6001 26.90254 152.0822 27.70270 152.5643 28.38759 153.0464 29.28673 153.5285 30.53317 154.0107 32.23346 154.4928 33.77049 154.9749 35.08244 155.4570 36.22847 155.9391 37.28906 156.4212 38.02945 156.9034 38.91219 157.3855 40.11133 157.8676 41.69730 158.3497 43.39958 158.8318 45.16174 159.3139 47.02640 159.7961 49.08084 160.2782 51.37228 160.7603 53.86250 161.2424 56.57999 161.7245 59.65355 162.2066 62.64760 162.6888 65.27304 163.1709 67.69987 163.6530 70.31155 164.1351 73.23413 164.6172 76.39301 165.0993 79.76108 165.5815 83.43637 166.0636 87.12723 166.5457 90.65512 167.0278 94.08273 167.5099 97.62355 167.9921 101.5479 168.4742 105.5504 168.9563 109.3463 169.4384 112.7584 169.9205 116.1087 170.4026 119.6500 170.8848 123.3489 171.3669 126.9915 171.8490 130.5294 172.3311 133.9246 172.8132 137.1152 173.2953 139.9698 173.7775 142.7622 174.2596 145.9566 174.7417 149.4729 175.2238 152.6007 175.7059 154.6363 176.1880 155.9562 176.6702 157.1384 177.1523 158.3853 177.6344 159.5780 178.1165 160.6788 178.5986 161.6818 179.0807 162.3086 179.5629 162.2339 180.0450 161.6048 180.5271 160.7764 181.0092 159.8703 181.4913 158.9283 181.9734 157.9988 182.4556 156.9609 182.9377 155.5677 183.4198 153.3266 183.9019 150.4480 184.3840 147.6820 184.8661 145.1543 185.3483 142.7585 185.8304 140.2957 186.3125 137.7877 186.7946 135.2132 187.2767 132.0392 187.7588 128.4189 188.2409 125.1600 188.7231 122.7772 189.2052 121.0025 189.6873 118.7457 190.1694 115.9133 190.6515 112.9777 191.1336 110.3650 191.6158 108.0898 192.0979 106.3537 192.5800 105.4177 193.0621 105.1688 193.5442 104.9665 194.0263 104.9263 194.5085 104.5648 194.9906 102.9851 195.4727 100.1140 195.9548 97.20663 196.4369 94.76094 196.9190 92.75856 197.4012 90.98065 197.8833 89.49228 198.3654 88.07104 198.8475 86.38638 199.3296 84.40807 199.8117 82.43063 200.2939 80.54755 200.7760 78.76425 201.2581 77.20177 201.7402 75.99805 202.2223 74.81601 202.7044 72.95673 203.1866 70.31950 203.6687 67.68495 204.1508 65.41534 204.6329 63.54083 205.1150 61.74197 205.5971 60.06934 206.0793 58.40967 206.5614 56.47740 207.0435 54.20348 207.5256 52.00755 208.0077 50.09663 208.4898 48.50684 208.9720 46.98729 209.4541 45.58936 209.9362 44.20450 210.4183 42.54439 210.9004 40.49495 211.3825 38.52594 211.8647 36.92073 212.3468 35.83745 212.8289 34.32050 213.3110 32.14154 213.7931 29.66693 214.2752 27.86414 214.7574 27.03699 215.2395 26.10876 215.7216 24.46756 216.2037 21.81595 216.6858 19.65720 217.1679 18.15630 217.6501 17.05899 218.1322 15.78329 218.6143 14.22179 219.0964 12.67926 219.5785 11.34761 220.0606 10.30693 220.5428 9.154587 221.0249 7.837692 221.5070 6.437546 221.9891 5.181442 222.4712 4.075012 222.9533 3.072784 223.4355 2.194824 223.9176 1.479202 224.3997 0.7172390 224.8818 0.1872560 225.3639 1.099518 225.8460 1.711105 226.3282 1.894440 226.8103 1.986420 227.2924 2.118393 227.7745 2.311707 228.2566 2.491928 228.7387 2.636932 229.2209 2.776306 229.7030 2.992218 230.1851 3.383041 230.6672 3.691895 231.1493 3.810257 231.6314 3.693665 232.1136 3.501785 232.5957 3.239487 233.0778 2.898163 233.5599 2.434387 234.0420 1.702805 234.5241 1.086792 235.0063 0.8012540 235.4884 1.078949 235.9705 1.010590 236.4526 0.4595030 236.9347 0.3744050 237.4168 1.063507 237.8990 1.442261 238.3811 1.933670 238.8632 2.728592 239.3453 3.979446 239.8274 5.060471 240.3095 5.877090 240.7917 6.578903 241.2738 7.472000 241.7559 8.723038 242.2380 9.888809 242.7201 10.73189 243.2022 11.03191 243.6844 11.81691 244.1665 13.37242 244.6486 15.25455 245.1307 16.68338 245.6128 17.46239 246.0949 18.11440 246.5771 18.71989 247.0592 19.14211 247.5413 20.10043 248.0234 21.82892 248.5055 23.92657 248.9876 25.74373 249.4697 27.18884 249.9519 28.52826 250.4340 29.73874 250.9161 30.69170 251.3982 32.26018 251.8803 34.78845 252.3624 37.64551 252.8446 39.90401 253.3267 41.36911 253.8088 42.66399 254.2909 43.98906 254.7730 45.39702 255.2551 46.40262 255.7373 46.73442 256.2194 46.93941 256.7015 47.69615 257.1836 49.21182 257.6657 50.81877 258.1479 52.36285 258.6300 53.82005 259.1121 55.35789 259.5942 57.04558 260.0763 58.72577 260.5584 60.27467 261.0406 61.64644 261.5227 62.95770 262.0048 64.21513 262.4869 65.41144 262.9690 66.66772 263.4511 67.97603 263.9333 69.35187 264.4154 70.81281 264.8975 72.39603 265.3796 74.03078 265.8617 75.81709 266.3438 77.69489 266.8260 79.06842 267.3081 79.70724 267.7902 80.26361 268.2723 81.35281 268.7544 83.20242 269.2365 84.74255 269.7187 85.68008 270.2008 86.17715 270.6829 87.12611 271.1650 88.64670 271.6471 90.31303 272.1292 91.79092 272.6114 93.06281 273.0935 94.24402 273.5756 95.33055 274.0577 96.32426 274.5398 97.28296 275.0219 98.22556 275.5041 99.02594 275.9862 99.50233 276.4683 99.58325 276.9504 99.99109 277.4325 100.9601 277.9146 102.1429 278.3968 102.5536 278.8788 102.0482 279.3610 101.5202 279.8431 101.5919 280.3252 102.2993 280.8073 102.7487 281.2894 102.9009 281.7715 102.7789 282.2537 102.3113 282.7358 101.4430 283.2179 100.6131 283.7000 100.2559 284.1821 100.3463 284.6642 99.80370 285.1464 98.50677 285.6285 96.78018 286.1106 95.04543 286.5927 93.29968 287.0748 91.59563 287.5569 90.01462 288.0391 88.49452 288.5212 86.77313 289.0033 84.84592 289.4854 82.77048 289.9675 80.40140 290.4496 77.79329 290.9318 75.68282 291.4139 74.85938 291.8960 74.70752 292.3781 72.92090 292.8602 69.34964 293.3423 65.31177 293.8245 62.02167 294.3066 59.42453 294.7887 57.16443 295.2708 55.30957 295.7529 53.58113 296.2350 51.27371 296.7172 48.40430 297.1993 45.65750 297.6814 43.66267 298.1635 42.21982 298.6456 40.81578 299.1277 39.35492 299.6099 37.82458 300.0920 36.17184 300.5741 34.40900 301.0562 32.77275 301.5383 31.43224 302.0204 30.30919 302.5026 29.32922 302.9847 28.55049 303.4668 27.71359 303.9489 26.34680 304.4310 24.62430 304.9131 23.08212 305.3953 22.24736 305.8774 21.68663 306.3595 20.78264 306.8416 19.37918 307.3237 17.96783 307.8058 17.06725 308.2880 16.50824 308.7701 15.91196 309.2522 14.95450 309.7343 13.94653 310.2164 13.18935 310.6985 12.69795 311.1807 12.28862 311.6628 12.01483 312.1449 11.73946 312.6270 11.25195 313.1091 10.19496 313.5912 9.092056 314.0734 8.255936 314.5555 7.711044 315.0376 7.294800 315.5197 6.926956 316.0018 6.625183 316.4839 6.415283 316.9661 6.455887 317.4482 6.466248 317.9303 6.311279 318.4124 6.008591 318.8945 5.680038 319.3766 5.224335 319.8588 4.840576 320.3409 4.697678 320.8230 5.194839 321.3051 5.452026 321.7872 4.972656 322.2693 4.024994 322.7515 3.433792 323.2336 3.811432 323.7157 4.281403 324.1978 4.397049 324.6799 3.865433 325.1620 3.455124 325.6442 3.386429 326.1263 3.489212 326.6084 3.461090 327.0905 2.983276 327.5726 2.636002 328.0547 2.629852 328.5369 3.094345 329.0190 3.503876 329.5011 3.950592 329.9832 4.298004 330.4653 4.379501 330.9474 3.886215 331.4296 3.514252 331.9117 3.425705 332.3938 3.637772 332.8759 3.822800 333.3580 4.030914 333.8401 4.170074 334.3223 4.144318 334.8044 3.817932 335.2865 3.598480 335.7686 3.545395 336.2507 3.639160 336.7328 3.791656 337.2150 4.032898 337.6971 4.272095 338.1792 4.477249 338.6613 4.671951 339.1434 4.704514 339.6255 4.521469 340.1077 4.203674 340.5898 3.892578 341.0719 3.562714 341.5540 3.368362 342.0361 3.477142 342.5182 3.911911 343.0004 4.069153 343.4825 3.903931 343.9646 3.574585 344.4467 3.278305 344.9288 3.020691 345.4109 2.794296 345.8931 2.607895 346.3752 2.453705 346.8573 2.288559 347.3394 2.104019 347.8215 1.964218 348.3036 2.026779 348.7858 2.221252 349.2679 2.172256 349.7500 1.625610 350.2321 0.9460910 350.7142 0.9200130 351.1964 1.482269 351.6785 2.015015 352.1606 2.044205 352.6427 1.725830 353.1248 1.341919 353.6069 0.9080960 354.0891 0.4964290 354.5712 0.1534730 355.0533 0.1070560 355.5354 0.2521360 356.0175 8.8669002E-02 356.4996 0.1160740 356.9818 2.9785000E-02 357.4639 0.4038240 357.9460 0.8353880 358.4281 1.014023 358.9102 1.036331 359.3923 1.039948 359.8745 1.126938 360.3566 1.177658 360.8387 1.051819 361.3208 0.7705990 361.8029 0.6120150 362.2850 0.9298860 362.7672 1.310196 363.2493 1.401703 363.7314 0.8284910 364.2135 0.3033290 364.6956 5.4076999E-02 365.1777 2.7358999E-02 365.6599 6.5659001E-02 366.1420 0.1697240 366.6241 0.2986760 367.1062 0.4552000 367.5883 0.7544400 368.0704 0.8071750 368.5526 0.3493040 369.0347 0.3069460 369.5168 0.7124330 369.9989 0.5687410 370.4810 0.4915310 370.9631 0.6472320 371.4453 1.072342 371.9274 1.306030 372.4095 1.135468 372.8916 0.9225770 373.3737 1.032043 373.8558 1.709961 374.3380 2.330414 374.8201 2.761795 375.3022 2.999374 375.7843 3.239838 376.2664 3.541519 376.7485 3.795380 377.2307 3.930084 377.7128 3.939713 378.1949 3.812592 378.6770 3.473038 379.1591 3.103714 379.6412 3.090530 380.1234 3.470016 380.6055 3.915771 381.0876 4.346558 381.5697 4.745255 382.0518 4.941620 382.5339 4.893280 383.0161 4.859497 383.4982 5.141846 383.9803 5.700027 384.4624 6.308136 384.9445 6.923325 385.4266 7.518753 385.9088 8.080292 386.3909 8.602478 386.8730 9.041672 387.3551 9.337372 387.8372 9.537354 388.3193 9.700226 388.8015 9.793686 389.2836 9.970123 389.7657 10.48058 390.2478 11.19649 390.7299 11.79947 391.2120 11.89452 391.6942 11.97343 392.1763 12.54637 392.6584 13.67056 393.1405 14.65816 393.6226 15.04648 394.1047 15.14644 394.5869 15.28180 395.0690 15.66125 395.5511 15.98946 396.0332 16.12892 396.5153 16.11198 396.9974 16.11389 397.4796 16.11224 397.9617 16.18842 398.4438 16.39151 398.9259 16.77974 399.4080 17.20103 399.8901 17.70122 400.3723 18.22357 400.8544 18.65105 401.3365 18.92342 401.8186 19.17836 402.3007 19.49153 402.7828 19.89600 403.2649 20.01836 403.7470 19.53972 404.2292 19.12187 404.7113 19.48520 405.1934 21.07295 405.6755 22.11894 406.1576 22.23306 406.6397 21.67209 407.1219 21.35857 407.6040 21.36501 408.0861 21.28627 408.5682 20.82568 409.0503 20.00578 409.5324 19.41684 410.0146 19.15610 410.4967 18.87794 410.9788 17.98531 411.4609 16.54675 411.9430 15.17719 412.4251 14.06631 412.9073 13.20753 413.3894 12.64986 413.8715 12.40639 414.3536 12.18352 414.8357 11.75980 415.3178 11.14040 415.8000 10.34938 416.2821 9.321899 416.7642 8.314178 417.2463 7.653183 417.7284 7.205521 418.2105 6.641510 418.6927 5.511276 419.1748 4.413834 419.6569 3.928650 420.1390 4.170166 420.6211 4.141785 421.1032 3.068436 421.5854 1.675751 422.0675 0.7015990 422.5496 0.6503910 423.0317 0.6699830 423.5138 0.5401310 423.9959 0.2698670 424.4781 2.5650000E-02 424.9602 0.4266660 425.4423 0.7882690 425.9244 1.004410 426.4065 0.8813320 426.8886 0.8894960 427.3708 1.196640 427.8529 1.620972 428.3350 1.846100 428.8171 1.821350 429.2992 1.643127 429.7813 1.219116 430.2635 0.5836940 430.7456 0.5853880 431.2277 1.484482 431.7098 2.407669 432.1919 2.564041 432.6740 1.882736 433.1562 1.415497 433.6383 1.340790 434.1204 1.467850 434.6025 1.426727 435.0846 1.220779 435.5667 0.9592900 436.0489 0.6362760 436.5310 0.2977600 437.0131 0.1045230 437.4952 6.1066002E-02 437.9773 6.3354000E-02 438.4594 5.9372000E-02 438.9416 2.3788000E-02 439.4237 9.3673997E-02 439.9058 0.3010560 440.3879 0.6126100 440.8700 1.167709 441.3521 1.877121 441.8343 2.421448 442.3164 2.526352 442.7985 2.462891 443.2806 2.395386 443.7627 2.310333 444.2448 2.380630 444.7270 2.838989 445.2091 3.431595 445.6912 3.855072 446.1733 3.804413 446.6554 3.809738 447.1375 3.995758 447.6197 4.357101 448.1018 4.812866 448.5839 5.645935 449.0660 6.323639 449.5481 6.536270 450.0302 5.818069 450.5124 5.638519 450.9945 6.256454 451.4766 7.241653 451.9587 7.858246 452.4408 7.936615 452.9229 8.135117 453.4051 8.638123 453.8872 9.425308 454.3693 10.41183 454.8514 11.63985 455.3335 12.90582 455.8156 14.07333 456.2978 15.14221 456.7799 16.15387 457.2620 17.10370 457.7441 18.03960 458.2262 18.99640 458.7083 19.98972 459.1905 21.15292 459.6726 22.49005 460.1547 24.04793 460.6368 26.01654 461.1189 28.39304 461.6010 30.67918 462.0832 32.34663 462.5653 33.80780 463.0474 35.50407 463.5295 37.63191 464.0116 39.91991 464.4937 42.43561 464.9759 45.00757 465.4580 47.19656 465.9401 48.17610 466.4222 49.36908 466.9043 51.51173 467.3864 54.81688 467.8686 57.79993 468.3507 59.86560 468.8328 61.82555 469.3149 64.26617 469.7970 67.45941 470.2791 70.67682 470.7613 73.89050 471.2434 77.07019 471.7255 80.08562 472.2076 82.80215 472.6897 85.69615 473.1718 89.15085 473.6540 93.15076 474.1361 96.53574 474.6182 99.18817 475.1003 101.6583 475.5824 104.6094 476.0645 107.9783 476.5467 110.9982 477.0288 113.4397 477.5109 115.6557 477.9930 118.3002 478.4751 121.2679 478.9572 124.0507 479.4394 126.4621 479.9215 128.4837 480.4036 129.9873 480.8857 130.9684 481.3678 131.7455 481.8499 132.5476 482.3321 133.2458 482.8142 133.6905 483.2963 133.8359 483.7784 133.7393 484.2605 133.3442 484.7426 132.7249 485.2248 132.0671 485.7069 131.3347 486.1890 130.6560 486.6711 130.0951 487.1532 129.6820 487.6353 129.3236 488.1175 128.9545 488.5996 128.6955 489.0817 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