#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:40:12 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1211 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000625.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_1000625 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 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 R050104.rod _rod_data_source.block 3500000 _rod_database.code 1000625 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 139.4189 0.0000000E+00 139.9010 0.9556880 140.3831 0.8727420 140.8652 0.1301270 141.3473 0.3511350 141.8294 9.2770001E-03 142.3116 0.7567140 142.7937 1.888306 143.2758 3.237854 143.7579 4.331238 144.2400 4.704712 144.7221 5.228271 145.2043 5.944397 145.6864 6.888000 146.1685 8.102722 146.6506 9.641357 147.1327 11.47791 147.6148 13.33752 148.0969 15.23621 148.5791 17.13391 149.0612 18.98163 149.5433 20.79596 150.0254 22.71362 150.5075 24.91040 150.9896 27.32928 151.4718 29.39813 151.9539 30.64441 152.4360 31.79852 152.9181 33.66779 153.4002 36.36658 153.8823 39.14026 154.3645 41.30603 154.8466 43.06909 155.3287 44.74091 155.8108 46.40845 156.2929 48.05182 156.7750 49.56091 157.2572 50.68781 157.7393 52.13947 158.2214 54.40497 158.7035 57.26227 159.1856 60.23608 159.6677 63.11359 160.1499 65.89764 160.6320 68.46893 161.1141 70.48901 161.5962 72.60620 162.0783 75.05634 162.5604 77.82281 163.0426 80.77771 163.5247 83.87518 164.0068 87.18719 164.4889 90.20166 164.9710 92.93915 165.4531 95.42090 165.9353 97.55286 166.4174 99.38397 166.8995 101.1306 167.3816 103.0441 167.8637 105.2253 168.3458 107.3497 168.8279 109.5385 169.3101 111.5988 169.7922 113.2874 170.2743 114.5791 170.7564 115.7646 171.2385 117.3298 171.7206 119.6508 172.2028 121.4093 172.6849 122.2330 173.1670 122.5711 173.6491 122.8759 174.1312 123.2594 174.6133 123.7401 175.0955 124.5487 175.5776 125.9078 176.0597 126.5406 176.5418 125.4109 177.0239 123.2905 177.5060 122.1104 177.9882 123.0218 178.4703 124.4067 178.9524 123.7482 179.4345 121.0161 179.9166 118.2110 180.3987 115.8067 180.8809 113.8718 181.3630 112.3356 181.8451 111.1304 182.3272 110.4736 182.8093 110.4865 183.2914 111.0391 183.7736 110.9549 184.2557 109.2258 184.7378 105.1890 185.2199 101.4868 185.7020 99.32977 186.1841 97.41443 186.6663 95.16833 187.1484 92.56592 187.6305 89.76013 188.1126 86.83539 188.5947 83.82800 189.0768 80.98474 189.5589 78.34027 190.0411 75.83875 190.5232 73.36047 191.0053 70.89001 191.4874 68.58594 191.9695 66.78174 192.4516 66.05249 192.9338 64.89319 193.4159 62.93817 193.8980 60.71539 194.3801 58.58301 194.8622 56.68311 195.3443 55.09906 195.8265 54.01825 196.3086 54.66675 196.7907 54.35339 197.2728 52.15381 197.7549 49.31042 198.2370 47.39307 198.7192 47.07599 199.2013 47.76398 199.6834 47.83307 200.1655 47.05084 200.6476 46.01874 201.1297 44.70575 201.6119 43.21497 202.0940 41.70679 202.5761 40.24164 203.0582 38.83014 203.5403 37.53003 204.0224 36.42462 204.5046 35.24530 204.9867 33.89624 205.4688 32.40759 205.9509 30.81464 206.4330 29.07678 206.9151 27.33142 207.3973 25.77240 207.8794 24.30896 208.3615 23.23242 208.8436 23.07684 209.3257 23.63391 209.8078 23.65759 210.2899 22.51605 210.7721 20.71411 211.2542 18.94159 211.7363 17.18951 212.2184 15.58929 212.7005 14.29871 213.1826 13.31561 213.6648 12.40918 214.1469 11.70514 214.6290 10.89575 215.1111 9.678894 215.5932 7.988403 216.0753 6.130615 216.5575 4.243408 217.0396 2.237061 217.5217 0.8392330 218.0038 0.9912110 218.4859 1.360352 218.9680 1.054138 219.4502 9.8572001E-02 219.9323 1.462341 220.4144 2.173218 220.8965 1.989929 221.3786 1.957520 221.8607 2.383057 222.3429 2.878906 222.8250 3.162903 223.3071 3.187195 223.7892 3.156677 224.2713 3.431335 224.7534 4.286743 225.2356 4.774475 225.7177 4.787476 226.1998 4.528442 226.6819 3.942505 227.1640 3.095276 227.6461 2.329895 228.1283 2.270264 228.6104 3.657959 229.0925 4.316589 229.5746 3.846252 230.0567 3.044006 230.5388 2.471008 231.0210 2.258240 231.5031 2.165344 231.9852 1.823853 232.4673 1.079163 232.9494 0.3796390 233.4315 0.2636110 233.9137 0.8679200 234.3958 1.324280 234.8779 1.649780 235.3600 2.153259 235.8421 3.312378 236.3242 5.607605 236.8064 7.445313 237.2885 8.670837 237.7706 9.553711 238.2527 10.31030 238.7348 10.99011 239.2169 11.51648 239.6991 11.74359 240.1812 11.52710 240.6633 11.54572 241.1454 11.55078 241.6275 11.94977 242.1096 13.42151 242.5918 16.05908 243.0739 18.82513 243.5560 20.49371 244.0381 20.96478 244.5202 21.28748 245.0023 21.21277 245.4845 21.20850 245.9666 21.86182 246.4487 23.27716 246.9308 24.89355 247.4129 26.15955 247.8950 27.12042 248.3772 28.16455 248.8593 29.56036 249.3414 30.96698 249.8235 31.89246 250.3056 32.24799 250.7877 32.56604 251.2698 33.32550 251.7520 34.40796 252.2341 35.47931 252.7162 36.41199 253.1983 37.32385 253.6804 38.48822 254.1625 40.01886 254.6447 41.19788 255.1268 41.05219 255.6089 40.25793 256.0910 40.01526 256.5731 40.84991 257.0552 42.22546 257.5374 43.42719 258.0195 44.40546 258.5016 45.47412 258.9837 47.19531 259.4658 49.01245 259.9479 50.11731 260.4301 49.89105 260.9122 49.43311 261.3943 50.37378 261.8764 53.01105 262.3585 55.66107 262.8406 57.80920 263.3228 59.50049 263.8049 60.57965 264.2870 60.86957 264.7691 60.96887 265.2512 61.60236 265.7333 62.79193 266.2155 64.41718 266.6976 67.20050 267.1797 70.00452 267.6618 71.89349 268.1439 72.61603 268.6260 72.87726 269.1082 73.48419 269.5903 74.47919 270.0724 75.61304 270.5545 76.75458 271.0366 78.08167 271.5187 79.94629 272.0009 82.33997 272.4830 84.55444 272.9651 85.60272 273.4472 85.19183 273.9293 85.27539 274.4114 86.34973 274.8936 87.76099 275.3757 89.46783 275.8578 91.36981 276.3399 93.08374 276.8220 94.27234 277.3041 94.89868 277.7863 94.82800 278.2684 92.90216 278.7505 91.36090 279.2326 91.37018 279.7147 92.58160 280.1968 93.80566 280.6789 94.06500 281.1610 93.35974 281.6432 92.39471 282.1253 90.54523 282.6074 88.96881 283.0895 88.23230 283.5716 88.11066 284.0537 88.12305 284.5359 88.04657 285.0180 87.83606 285.5001 86.75281 285.9822 83.86108 286.4643 80.89191 286.9464 78.05597 287.4286 75.58136 287.9107 73.83081 288.3928 73.08118 288.8749 72.92810 289.3570 71.62952 289.8391 67.86426 290.3213 64.68707 290.8034 62.96423 291.2855 61.89026 291.7676 60.52771 292.2497 58.44135 292.7318 55.87646 293.2140 53.48041 293.6961 51.38007 294.1782 49.27710 294.6603 47.13068 295.1424 44.96204 295.6245 42.72949 296.1067 40.44159 296.5888 38.24945 297.0709 36.42346 297.5530 35.19617 298.0351 33.92682 298.5172 32.40430 298.9994 30.98834 299.4815 29.97986 299.9636 29.39563 300.4457 28.96820 300.9278 28.38538 301.4099 27.66229 301.8921 26.71008 302.3742 24.90118 302.8563 23.42383 303.3384 23.20935 303.8205 24.02301 304.3026 24.80023 304.7848 24.50751 305.2669 23.00604 305.7490 21.85992 306.2311 20.69495 306.7132 20.22308 307.1953 21.18665 307.6775 23.06012 308.1596 24.72748 308.6417 25.38916 309.1238 25.16559 309.6059 25.21289 310.0880 25.64075 310.5702 26.26282 311.0523 27.16022 311.5344 28.22119 312.0165 29.32324 312.4986 30.40131 312.9807 31.41730 313.4629 32.29474 313.9450 32.83246 314.4271 33.42236 314.9092 34.12115 315.3913 34.91437 315.8734 35.84570 316.3556 36.93030 316.8377 38.03210 317.3198 38.85541 317.8019 38.98444 318.2840 39.49664 318.7661 40.77747 319.2483 42.17999 319.7304 43.05444 320.2125 43.39050 320.6946 43.85992 321.1767 45.33179 321.6588 48.19342 322.1409 50.31171 322.6230 51.45856 323.1052 52.29236 323.5873 53.03540 324.0694 53.73328 324.5515 54.36157 325.0336 54.90717 325.5157 55.36938 325.9979 55.78137 326.4800 56.07056 326.9621 56.39349 327.4442 56.91132 327.9263 57.47418 328.4084 57.83258 328.8906 57.84247 329.3727 57.55804 329.8548 57.16919 330.3369 56.26068 330.8190 55.81335 331.3011 56.32709 331.7833 57.14667 332.2654 57.58270 332.7475 57.38544 333.2296 56.84363 333.7117 56.54907 334.1938 56.96857 334.6760 56.69098 335.1581 54.90234 335.6402 53.08331 336.1223 52.49811 336.6044 53.16071 337.0865 53.91797 337.5687 53.36981 338.0508 51.14136 338.5329 49.39929 339.0150 48.54102 339.4971 47.77942 339.9792 46.89929 340.4614 45.86249 340.9435 44.63489 341.4256 43.13611 341.9077 41.41901 342.3898 40.13892 342.8719 39.80176 343.3541 39.33948 343.8362 38.38489 344.3183 37.21759 344.8004 36.28229 345.2825 35.81586 345.7646 35.55292 346.2468 34.79279 346.7289 33.32062 347.2110 31.71539 347.6931 29.59192 348.1752 27.66583 348.6573 26.67987 349.1395 26.75476 349.6216 27.18225 350.1037 27.00690 350.5858 26.06726 351.0679 25.14740 351.5500 24.70093 352.0322 23.92596 352.5143 22.05096 352.9964 19.37469 353.4785 17.01062 353.9606 16.07910 354.4427 16.48834 354.9249 16.18951 355.4070 14.59430 355.8891 13.01880 356.3712 11.94598 356.8533 11.19226 357.3354 10.43506 357.8176 9.498291 358.2997 8.486877 358.7818 7.643616 359.2639 6.948486 359.7460 6.471863 360.2281 6.453918 360.7103 6.524597 361.1924 6.442627 361.6745 6.149902 362.1566 5.512146 362.6387 3.978271 363.1208 1.361145 363.6029 2.2095000E-02 364.0851 1.751892 364.5672 3.597595 365.0493 3.450928 365.5314 1.529846 366.0135 0.4085080 366.4956 1.036865 366.9778 0.6284790 367.4599 0.4285280 367.9420 0.5024410 368.4241 0.7349850 368.9062 1.204346 369.3883 1.753479 369.8705 2.114258 370.3526 2.215149 370.8347 2.025757 371.3168 1.362854 371.7989 0.1347660 372.2810 0.6961060 372.7632 0.5194700 373.2453 0.1666260 373.7274 0.8657840 374.2095 1.582703 374.6916 2.059021 375.1737 1.860962 375.6559 1.166992 376.1380 0.9492190 376.6201 1.633545 377.1022 2.512939 377.5843 2.987793 378.0664 3.077148 378.5486 2.627869 379.0307 1.027222 379.5128 0.9011230 379.9949 1.805176 380.4770 1.481812 380.9591 0.9870000 381.4413 0.9790040 381.9234 1.422852 382.4055 2.114197 382.8876 3.590210 383.3697 4.830139 383.8518 4.894836 384.3340 4.069519 384.8161 3.470276 385.2982 3.568054 385.7803 4.195007 386.2624 4.956177 386.7445 5.692139 387.2267 6.808960 387.7088 8.988708 388.1909 11.45959 388.6730 12.91241 389.1551 13.07904 389.6372 12.90674 390.1194 13.40265 390.6015 14.72394 391.0836 15.48755 391.5657 15.07812 392.0478 14.66962 392.5299 15.03552 393.0121 16.05310 393.4942 17.19580 393.9763 18.18579 394.4584 18.98462 394.9405 19.38452 395.4226 18.94415 395.9048 18.67657 396.3869 18.69843 396.8690 18.98718 397.3511 19.63983 397.8332 20.65417 398.3153 21.68616 398.7975 22.16577 399.2796 21.75238 399.7617 21.66968 400.2438 22.18457 400.7259 22.74982 401.2080 23.22266 401.6902 23.49097 402.1723 23.29382 402.6544 22.31946 403.1365 20.68512 403.6186 19.84973 404.1007 20.35779 404.5828 21.09119 405.0649 22.16156 405.5471 23.22247 406.0292 23.82654 406.5113 23.80084 406.9934 23.47211 407.4755 23.47034 407.9576 24.04840 408.4398 24.16760 408.9219 23.52795 409.4040 22.56537 409.8861 21.33350 410.3682 19.93353 410.8503 18.65076 411.3325 17.76147 411.8146 17.20807 412.2967 16.57605 412.7788 15.78137 413.2609 15.04974 413.7430 14.51666 414.2252 14.08368 414.7073 13.61792 415.1894 13.07312 415.6715 12.47552 416.1536 11.85773 416.6357 11.22021 417.1179 10.56012 417.6000 9.933899 418.0821 9.217590 418.5642 8.193848 419.0463 6.865173 419.5284 5.733887 420.0106 5.094543 420.4927 4.838501 420.9748 4.793579 421.4569 4.987610 421.9390 5.172546 422.4211 5.069641 422.9033 4.807556 423.3854 4.809570 423.8675 5.707581 424.3496 6.299988 424.8317 5.316101 425.3138 3.246277 425.7960 2.025208 426.2781 2.662292 426.7602 4.084473 427.2423 4.062988 427.7244 2.116211 428.2065 0.6901250 428.6887 0.5935670 429.1708 1.026306 429.6529 1.131531 430.1350 0.7941890 430.6171 0.5548100 431.0992 0.9636840 431.5814 2.015381 432.0635 2.367737 432.5456 1.641602 433.0277 0.8332520 433.5098 0.2106320 433.9919 0.2808230 434.4741 0.7982180 434.9562 1.407776 435.4383 1.975952 435.9204 2.222351 436.4025 1.783081 436.8846 1.585999 437.3668 2.108459 437.8489 2.527893 438.3310 2.159790 438.8131 1.131348 439.2952 0.1083370 439.7773 0.3695680 440.2595 0.3444820 440.7416 0.2254030 441.2237 5.6823999E-02 441.7058 0.3380740 442.1879 0.5275880 442.6700 0.7132570 443.1522 1.157227 443.6343 1.965210 444.1164 2.492859 444.5985 1.485901 445.0806 1.258911 445.5627 2.747620 446.0448 1.670471 446.5269 0.1572880 447.0091 0.4714970 447.4912 0.3266600 447.9733 3.2166000E-02 448.4554 0.4103390 448.9375 0.7937620 449.4196 1.144775 449.9018 1.455872 450.3839 1.810059 450.8660 2.365295 451.3481 2.914124 451.8302 3.022705 452.3123 2.427612 452.7945 2.119568 453.2766 2.673340 453.7587 3.865112 454.2408 5.298340 454.7229 6.903748 455.2050 8.653809 455.6872 10.73883 456.1693 13.17639 456.6514 14.47937 457.1335 13.40015 457.6156 12.34112 458.0977 12.66846 458.5799 14.12897 459.0620 15.98334 459.5441 17.89551 460.0262 19.85895 460.5083 21.82166 460.9904 23.86108 461.4726 25.77222 461.9547 27.38715 462.4368 29.00189 462.9189 30.67657 463.4010 32.51837 463.8831 34.87372 464.3653 38.21240 464.8474 42.40466 465.3295 45.26166 465.8116 45.10193 466.2937 45.76910 466.7758 48.52954 467.2580 52.22638 467.7401 55.61261 468.2222 58.27295 468.7043 60.75677 469.1864 63.82581 469.6685 67.53546 470.1507 71.00018 470.6328 73.97156 471.1149 76.86975 471.5970 79.91870 472.0791 83.09045 472.5612 86.34015 473.0434 89.85461 473.5255 93.25867 474.0076 95.78717 474.4897 97.40540 474.9718 99.41675 475.4539 102.6119 475.9361 106.1790 476.4182 108.8878 476.9003 110.6613 477.3824 112.2608 477.8645 114.0549 478.3466 115.8240 478.8288 117.3738 479.3109 118.6716 479.7930 119.3704 480.2751 119.1145 480.7572 118.0174 481.2393 117.0054 481.7215 116.1793 482.2036 115.3224 482.6857 114.6689 483.1678 113.8383 483.6499 112.1426 484.1320 109.4365 484.6142 106.4266 485.0963 104.0156 485.5784 102.2857 486.0605 100.7615 486.5426 99.71436 487.0247 98.60620 487.5068 96.68677 487.9890 94.63330 488.4711 93.76276 488.9532 94.80829 489.4353 96.88385 489.9174 98.09241 490.3995 98.08154 490.8817 98.39661 491.3638 99.07251 491.8459 100.3088 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99.10095 519.3265 91.19623 519.8087 83.40729 520.2908 77.42230 520.7729 73.18713 521.2550 69.64008 521.7371 66.15808 522.2192 62.73334 522.7014 59.34204 523.1835 56.07037 523.6656 52.70361 524.1477 49.00006 524.6298 45.40094 525.1119 42.29730 525.5941 39.65973 526.0762 37.21887 526.5583 34.69604 527.0404 32.11072 527.5225 29.42896 528.0046 26.39789 528.4868 23.91132 528.9689 22.75977 529.4510 21.93665 529.9331 20.69952 530.4152 18.91736 530.8973 17.03314 531.3795 15.66608 531.8616 14.50024 532.3437 12.84222 532.8258 10.45807 533.3079 8.518066 533.7900 8.019836 534.2722 8.501099 534.7543 8.448242 535.2364 7.519958 535.7185 6.625244 536.2006 6.245117 536.6827 6.010437 537.1649 5.431458 537.6470 4.444946 538.1291 3.579712 538.6112 3.211792 539.0933 3.219666 539.5754 3.232239 540.0576 3.413269 540.5397 3.526917 541.0218 3.472595 541.5039 3.356079 541.9860 3.327209 542.4681 3.458618 542.9503 3.759216 543.4324 4.319092 543.9145 5.128662 544.3966 5.403137 544.8787 4.718079 545.3608 4.313538 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