#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:11 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1226 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000638.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_1000638 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 R060193 _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 R060193.rod _rod_data_source.block 3500000 _rod_database.code 1000638 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 168.0016 0.0000000E+00 168.4837 0.4761950 168.9658 1.500922 169.4479 4.101375 169.9300 2.912656 170.4122 0.2221880 170.8943 1.127270 171.3764 0.2360180 171.8585 4.098536 172.3406 9.626102 172.8227 16.96625 173.3049 25.54619 173.7870 31.61690 174.2691 33.30385 174.7512 33.82357 175.2333 35.75661 175.7154 39.23029 176.1976 42.91039 176.6797 45.53669 177.1618 47.62548 177.6439 50.38379 178.1260 54.55632 178.6081 59.35507 179.0903 63.57367 179.5724 66.94710 180.0545 70.48927 180.5366 75.62732 181.0187 81.32278 181.5008 85.80081 181.9830 87.65581 182.4651 87.97379 182.9472 90.39346 183.4293 95.99597 183.9114 101.7615 184.3935 106.5742 184.8757 110.2644 185.3578 112.9842 185.8399 114.6713 186.3220 115.4248 186.8041 116.6729 187.2862 119.1816 187.7684 122.0168 188.2505 125.1733 188.7326 128.4374 189.2147 131.4248 189.6968 133.7223 190.1789 135.2882 190.6611 137.5588 191.1432 141.2723 191.6253 144.9786 192.1074 148.4623 192.5895 151.5609 193.0716 154.0450 193.5538 155.6321 194.0359 156.1867 194.5180 157.1158 195.0001 158.6406 195.4822 160.4671 195.9643 162.3391 196.4465 164.5694 196.9286 166.5265 197.4107 167.6111 197.8928 167.9274 198.3749 168.2268 198.8570 168.1343 199.3392 167.8087 199.8213 167.0577 200.3034 165.0288 200.7855 162.0522 201.2676 157.3108 201.7497 150.7040 202.2319 145.3676 202.7140 142.8729 203.1961 140.8499 203.6782 136.9683 204.1603 130.9192 204.6424 124.2015 205.1246 117.9994 205.6067 112.1918 206.0888 106.3121 206.5709 99.69478 207.0530 93.17709 207.5351 88.08716 208.0173 84.75397 208.4994 81.86492 208.9815 78.73666 209.4636 75.30212 209.9457 71.27998 210.4278 66.12002 210.9100 60.33464 211.3921 55.02194 211.8742 50.29508 212.3563 45.93766 212.8384 41.74952 213.3205 37.78423 213.8027 34.18797 214.2848 31.20611 214.7669 28.64315 215.2490 25.84954 215.7311 22.67053 216.2132 19.46511 216.6954 16.30045 217.1775 13.22514 217.6596 10.28157 218.1417 7.423394 218.6238 4.718623 219.1059 2.632718 219.5881 1.569669 220.0702 0.6016240 220.5523 0.1462950 221.0344 0.8675090 221.5165 1.786870 221.9986 3.080283 222.4808 3.385870 222.9629 1.947404 223.4450 0.7274570 223.9271 0.1857210 224.4092 0.4991040 224.8913 0.4379900 225.3735 0.2451570 225.8556 3.8936999E-02 226.3377 0.1899510 226.8198 0.6538200 227.3019 1.461620 227.7840 2.390637 228.2662 3.702003 228.7483 3.109912 229.2304 2.228966 229.7125 2.251863 230.1946 3.060506 230.6767 3.330094 231.1589 3.717919 231.6410 2.936910 232.1231 0.3781110 232.6052 5.078959 233.0873 8.990368 233.5694 10.75447 234.0516 10.66022 234.5337 10.72426 235.0158 10.55169 235.4979 10.92366 235.9800 12.60675 236.4621 15.02696 236.9443 16.86321 237.4264 17.25964 237.9085 16.65643 238.3906 17.10102 238.8727 18.58379 239.3548 20.84789 239.8370 24.49638 240.3191 28.92286 240.8012 32.48160 241.2833 34.11903 241.7654 34.63962 242.2475 36.46627 242.7297 40.10258 243.2118 43.95465 243.6939 47.64783 244.1760 51.05610 244.6581 53.65698 245.1402 54.90286 245.6224 55.60756 246.1045 57.49874 246.5866 60.96112 247.0687 64.37213 247.5508 66.77415 248.0329 68.41439 248.5151 70.14964 248.9972 72.09722 249.4793 74.52638 249.9614 78.06353 250.4435 83.01359 250.9256 87.25225 251.4078 88.90305 251.8899 88.60167 252.3720 89.25410 252.8541 91.57976 253.3362 94.98756 253.8183 99.21097 254.3005 104.2664 254.7826 108.4280 255.2647 109.7234 255.7468 108.9347 256.2289 109.5557 256.7110 113.2574 257.1931 117.1864 257.6753 118.9413 258.1574 118.8144 258.6395 118.6874 259.1216 119.8712 259.6037 122.1059 260.0858 124.0251 260.5680 125.0586 261.0501 126.3624 261.5322 128.9428 262.0143 132.3458 262.4964 135.4191 262.9785 137.3914 263.4607 138.4175 263.9428 139.5881 264.4249 141.3289 264.9070 142.5026 265.3891 142.0947 265.8712 140.8276 266.3534 140.1906 266.8355 141.3417 267.3176 143.7856 267.7997 145.3386 268.2818 145.2739 268.7639 145.4060 269.2461 146.6845 269.7282 148.4951 270.2103 149.9956 270.6924 150.8146 271.1745 150.9463 271.6566 150.0934 272.1388 146.7928 272.6209 145.1087 273.1030 147.1218 273.5851 150.6852 274.0672 153.2765 274.5493 153.7139 275.0315 152.8898 275.5136 153.1108 275.9957 155.3580 276.4778 156.7759 276.9599 156.5154 277.4420 155.5166 277.9242 154.5496 278.4063 153.8756 278.8884 153.3977 279.3705 152.9960 279.8526 152.7543 280.3347 152.2955 280.8169 151.6796 281.2990 150.9923 281.7811 150.4550 282.2632 150.0445 282.7453 149.3512 283.2274 147.6619 283.7096 144.5134 284.1917 141.4762 284.6738 138.3832 285.1559 135.5356 285.6380 133.5140 286.1201 132.1507 286.6023 130.5141 287.0844 127.0471 287.5665 120.7320 288.0486 116.2503 288.5307 115.7688 289.0128 115.1045 289.4950 112.5541 289.9771 108.3362 290.4592 103.1836 290.9413 97.76685 291.4234 92.01377 291.9055 87.09041 292.3877 83.53361 292.8698 80.24163 293.3519 76.92698 293.8340 73.60349 294.3161 70.42573 294.7982 67.54905 295.2804 64.91310 295.7625 61.86472 296.2446 57.49532 296.7267 53.68362 297.2088 51.29118 297.6909 49.59069 298.1731 47.60412 298.6552 44.81993 299.1373 41.28546 299.6194 37.14915 300.1015 30.78549 300.5836 25.87575 301.0658 23.87807 301.5479 23.02229 302.0300 21.18646 302.5121 17.57531 302.9942 13.29393 303.4763 10.67344 303.9585 11.67818 304.4406 11.44472 304.9227 8.771252 305.4048 5.652834 305.8869 3.818111 306.3690 3.601307 306.8512 3.940470 307.3333 3.324311 307.8154 1.176838 308.2975 0.4127780 308.7796 1.016845 309.2617 1.516644 309.7439 2.495569 310.2260 1.137903 310.7081 0.4151720 311.1902 1.857868 311.6723 3.391308 312.1544 3.281195 312.6366 0.6082020 313.1187 1.300127 313.6008 1.069756 314.0829 2.096029 314.5650 9.4851002E-02 315.0471 0.3983450 315.5293 0.4999390 316.0114 1.290141 316.4935 2.228832 316.9756 2.423737 317.4577 2.370388 317.9398 1.591896 318.4220 1.377707 318.9041 2.223372 319.3862 1.563231 319.8683 0.5987790 320.3504 0.7953270 320.8326 0.7822920 321.3147 0.6009400 321.7968 0.1328840 322.2789 0.9096610 322.7610 2.565989 323.2431 4.364054 323.7253 5.413556 324.2074 4.887810 324.6895 5.274627 325.1716 7.445714 325.6537 9.758202 326.1358 10.76517 326.6180 10.50889 327.1001 10.42833 327.5822 12.25830 328.0643 16.64194 328.5464 19.62105 329.0285 20.36249 329.5107 20.71300 329.9928 21.06624 330.4749 21.64989 330.9570 22.82861 331.4391 24.98091 331.9212 27.99441 332.4034 30.17106 332.8855 31.07882 333.3676 31.57806 333.8497 31.67716 334.3318 31.49735 334.8139 31.02685 335.2961 30.24159 335.7782 29.46500 336.2603 29.69036 336.7424 31.66221 337.2245 33.60795 337.7066 35.92614 338.1888 37.88257 338.6709 38.74289 339.1530 38.34773 339.6351 37.18711 340.1172 35.99152 340.5993 34.91512 341.0815 33.39198 341.5636 30.14355 342.0457 27.56218 342.5278 27.42458 343.0099 29.42446 343.4920 31.80436 343.9742 33.00919 344.4563 33.00384 344.9384 32.47129 345.4205 30.93047 345.9026 29.28992 346.3847 27.72699 346.8669 26.23676 347.3490 24.66849 347.8311 22.85278 348.3132 21.04894 348.7953 20.46808 349.2774 22.51496 349.7596 23.56450 350.2417 22.37792 350.7238 20.27883 351.2059 18.50669 351.6880 17.48659 352.1701 16.95079 352.6523 16.50252 353.1344 16.16624 353.6165 15.84378 354.0986 15.63229 354.5807 15.34840 355.0628 14.65506 355.5450 13.65991 356.0271 13.00263 356.5092 13.69615 356.9913 15.83055 357.4734 16.61792 357.9555 15.02258 358.4377 13.13917 358.9198 11.70502 359.4019 10.65467 359.8840 9.783970 360.3661 9.002055 360.8482 8.302555 361.3304 7.628218 361.8125 6.908502 362.2946 6.395237 362.7767 6.491367 363.2588 6.681637 363.7409 6.388715 364.2231 5.404474 364.7052 4.120880 365.1873 2.883152 365.6694 1.676646 366.1515 0.9582180 366.6336 0.9356310 367.1158 1.424615 367.5979 2.419861 368.0800 3.965131 368.5621 5.682589 369.0442 6.689466 369.5263 7.103178 370.0085 7.816389 370.4906 9.610259 370.9727 10.69595 371.4548 9.164578 371.9369 5.968727 372.4190 3.622178 372.9012 3.360114 373.3833 4.198252 373.8654 4.785894 374.3475 5.101076 374.8296 5.187716 375.3117 4.702706 375.7939 4.269845 376.2760 4.891047 376.7581 7.104261 377.2402 9.165473 377.7223 9.164692 378.2044 7.600969 378.6866 7.012494 379.1687 8.405772 379.6508 10.48710 380.1329 11.82325 380.6150 12.57848 381.0971 12.45722 381.5793 10.33988 382.0614 7.796241 382.5435 7.377656 383.0256 9.446580 383.5077 11.95166 383.9898 13.38642 384.4720 13.89897 384.9541 14.63420 385.4362 16.02094 385.9183 17.27426 386.4004 17.93222 386.8825 18.11636 387.3647 18.18813 387.8468 18.32130 388.3289 18.55553 388.8110 18.94555 389.2931 19.59994 389.7752 19.92402 390.2574 19.50719 390.7395 19.05127 391.2216 19.44450 391.7037 20.90387 392.1858 22.90506 392.6679 24.91439 393.1501 27.00579 393.6322 28.87302 394.1143 30.64379 394.5964 32.10677 395.0785 32.80891 395.5606 33.04709 396.0428 33.70313 396.5249 35.41813 397.0070 37.90628 397.4891 39.67936 397.9712 39.85894 398.4533 40.35293 398.9355 41.54609 399.4176 43.07019 399.8997 44.41621 400.3818 45.45859 400.8639 46.65632 401.3460 48.86115 401.8282 52.88572 402.3103 55.60373 402.7924 55.97056 403.2745 56.16806 403.7566 57.41577 404.2387 59.49664 404.7209 61.49403 405.2030 62.76492 405.6851 63.32951 406.1672 63.29055 406.6493 62.78230 407.1314 61.37179 407.6136 58.28856 408.0957 54.65388 408.5778 51.82246 409.0599 50.29389 409.5420 49.11835 410.0241 46.67347 410.5063 42.59437 410.9884 39.28350 411.4705 37.91912 411.9526 36.75383 412.4347 34.84393 412.9168 32.23451 413.3990 29.43673 413.8811 26.64867 414.3632 23.94838 414.8453 21.65516 415.3274 19.86255 415.8095 18.25253 416.2917 16.68128 416.7738 15.17628 417.2559 13.74008 417.7380 12.26193 418.2201 11.09032 418.7022 10.86894 419.1844 11.45624 419.6665 11.43336 420.1486 10.14789 420.6307 8.385213 421.1128 7.293558 421.5949 6.868684 422.0771 5.963943 422.5592 2.964815 423.0413 0.2241210 423.5234 0.1901480 424.0055 3.449276 424.4876 6.431268 424.9698 5.228909 425.4519 0.4672500 425.9340 2.893089 426.4161 1.941519 426.8982 1.311493 427.3803 0.4228410 427.8625 0.5201370 428.3446 1.085979 428.8267 1.115042 429.3088 0.6965610 429.7909 0.1028750 430.2730 1.815036 430.7552 2.629177 431.2373 1.969502 431.7194 0.8353910 432.2015 0.1204400 432.6836 0.8450790 433.1657 1.666288 433.6479 2.944399 434.1300 4.563388 434.6121 4.959575 435.0942 2.372045 435.5763 0.5811210 436.0584 1.103554 436.5406 2.344091 437.0227 2.231521 437.5048 0.1133740 437.9869 2.675099 438.4690 2.991560 438.9511 3.145680 439.4333 2.747458 439.9154 2.785508 440.3975 3.278276 440.8796 2.577456 441.3617 0.7795320 441.8438 0.7050080 442.3260 1.373241 442.8081 1.308970 443.2902 0.5610900 443.7723 1.413674 444.2544 2.700037 444.7365 1.870689 445.2187 0.4657120 445.7008 0.1362770 446.1829 1.295408 446.6650 2.081033 447.1471 8.0541998E-02 447.6292 4.388942 448.1114 5.995573 448.5935 2.978439 449.0756 0.4614040 449.5577 0.4228090 450.0398 2.104020 450.5219 4.378194 451.0041 5.620116 451.4862 6.337663 451.9683 7.181654 452.4504 8.039420 452.9325 7.896621 453.4146 5.821925 453.8968 3.076512 454.3789 2.578713 454.8610 4.732403 455.3431 7.179430 455.8252 9.714046 456.3073 12.10536 456.7895 13.93543 457.2716 15.22265 457.7537 16.66376 458.2358 18.93546 458.7179 22.04491 459.2000 24.69734 459.6822 26.85079 460.1643 28.68860 460.6464 29.97195 461.1285 31.06588 461.6106 32.43373 462.0927 34.25116 462.5748 36.40116 463.0569 38.72784 463.5391 41.31480 464.0212 43.80792 464.5033 45.82603 464.9854 48.09785 465.4675 50.96693 465.9496 54.38950 466.4318 58.19606 466.9139 62.33961 467.3960 66.72462 467.8781 71.03164 468.3602 75.15685 468.8423 79.52477 469.3245 84.49617 469.8066 89.64754 470.2887 94.35738 470.7708 98.57947 471.2529 103.5390 471.7350 110.7527 472.2172 119.5793 472.6993 127.4075 473.1814 133.7991 473.6635 139.8176 474.1456 145.9493 474.6277 152.2886 475.1099 159.0355 475.5920 166.2875 476.0741 173.8117 476.5562 181.7995 477.0383 189.9217 477.5204 197.3156 478.0026 203.5610 478.4847 209.2599 478.9668 215.1175 479.4489 221.2585 479.9310 227.7654 480.4131 235.5120 480.8953 242.5660 481.3774 247.9227 481.8595 251.4612 482.3416 252.6676 482.8237 250.9629 483.3058 247.5120 483.7880 246.2568 484.2701 250.9099 484.7522 253.1855 485.2343 251.2769 485.7164 248.1013 486.1985 245.6108 486.6807 244.1679 487.1628 243.3525 487.6449 243.0023 488.1270 242.9733 488.6091 241.3345 489.0912 236.0091 489.5734 232.4720 490.0555 233.1266 490.5376 235.7845 491.0197 237.8300 491.5018 238.4547 491.9839 239.4721 492.4661 242.9939 492.9482 248.9897 493.4303 255.3174 493.9124 261.0791 494.3945 267.8789 494.8766 277.8525 495.3588 290.1147 495.8409 301.9185 496.3230 311.7509 496.8051 321.7847 497.2872 334.0521 497.7693 348.1381 498.2515 362.5806 498.7336 376.8670 499.2157 391.4579 499.6978 407.1891 500.1799 424.3232 500.6620 441.3634 501.1442 458.4844 501.6263 475.1741 502.1084 491.8409 502.5905 508.1037 503.0726 522.7050 503.5547 534.7035 504.0369 544.5828 504.5190 554.5150 505.0011 566.5392 505.4832 575.5894 505.9653 580.0359 506.4474 582.7822 506.9296 586.8951 507.4117 591.8466 507.8938 593.8204 508.3759 588.9780 508.8580 578.3938 509.3401 568.7326 509.8223 560.8536 510.3044 551.9151 510.7865 541.3108 511.2686 528.9316 511.7507 514.4756 512.2328 497.8352 512.7150 479.4925 513.1971 458.7307 513.6792 436.5293 514.1613 415.7680 514.6434 397.1049 515.1255 378.1340 515.6077 356.3069 516.0898 332.6237 516.5719 311.5692 517.0540 295.0962 517.5361 279.1897 518.0182 261.6944 518.5004 243.6620 518.9825 226.7175 519.4646 211.2458 519.9467 197.2879 520.4288 185.0406 520.9109 174.8120 521.3931 164.1202 521.8752 152.2840 522.3573 140.6605 522.8394 129.2260 523.3215 118.4841 523.8036 109.3798 524.2858 102.3159 524.7679 96.14054 525.2500 89.01915 525.7321 80.63401 526.2142 72.93355 526.6964 65.95422 527.1785 59.86899 527.6606 55.09676 528.1427 51.23198 528.6248 47.37667 529.1069 43.11119 529.5891 38.76357 530.0712 34.71223 530.5533 30.90379 531.0354 27.91840 531.5175 26.59261 531.9996 25.57018 532.4818 23.17957 532.9639 19.44607 533.4460 15.62894 533.9281 11.52359 534.4102 8.022096 534.8923 6.459820 535.3745 6.177562 535.8566 4.740989 536.3387 0.8647000 536.8208 3.596859 537.3029 4.784414 537.7850 4.8842002E-02 538.2672 2.488969 538.7493 1.342159 539.2314 0.4688290 539.7135 1.777290 540.1956 2.307870 540.6777 1.779760 541.1599 0.1719140 541.6420 2.856948 542.1241 4.366520 542.6062 4.328649 543.0883 4.475516 543.5704 4.776015 544.0526 5.426685 544.5347 7.132215 545.0168 9.724241 545.4989 11.84713 545.9810 11.65889 546.4631 10.69110 546.9453 11.83052 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