#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:43:17 +0300 (Thu, 07 Jun 2018) $ #$Revision: 954 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000421.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_1000421 loop_ _publ_author_name 'Hawthorne, F. C.' _publ_section_title ; The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 346 _journal_page_last 356 _journal_volume 14 _journal_year 1976 _chemical_compound_source R110049 _chemical_formula_sum 'Al0.306 Ca0.158 Fe4.52 H2 K1.414 Mg0.11 Mn0.13 Na2.428 O24 Si7.84 Ti0.094' _chemical_name_mineral Arfvedsonite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 104.101 _cell_angle_gamma 90 _cell_length_a 10.007 _cell_length_b 18.077 _cell_length_c 5.332 _cell_volume 935.477 _exptl_crystal_density_diffrn 3.545 _cod_original_formula_sum 'Si7.84 Al.306 Fe4.52 Ti.094 Mn.13 Mg.11 Na2.428 Ca.158 K1.414 O24 H2' _cod_database_code 9004105 _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 R110049.rod _rod_data_source.block 3500000 _rod_database.code 1000421 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 9004105 COD http://www.crystallography.net/cod/9004105.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 167.1487 0.0000000E+00 167.6309 1.506607 168.1130 2.259506 168.5951 0.9841310 169.0772 0.5437160 169.5593 1.015198 170.0414 0.1792600 170.5236 2.256653 171.0057 4.242218 171.4878 5.518280 171.9699 6.787140 172.4520 8.548065 172.9341 10.78021 173.4163 13.29187 173.8984 15.93613 174.3805 18.78726 174.8626 21.83237 175.3447 24.27493 175.8268 27.38272 176.3090 33.13623 176.7911 41.49017 177.2732 50.15460 177.7553 55.61697 178.2374 58.25821 178.7195 60.59955 179.2017 63.26901 179.6838 66.49167 180.1659 70.51541 180.6480 75.37466 181.1301 80.98523 181.6122 87.87970 182.0944 95.69333 182.5765 103.0250 183.0586 108.2401 183.5407 112.7179 184.0228 120.0752 184.5049 130.5711 184.9871 142.2419 185.4692 152.5502 185.9513 161.8424 186.4334 171.3876 186.9155 182.6025 187.3976 194.6919 187.8798 205.1687 188.3619 213.8526 188.8440 221.2474 189.3261 228.0067 189.8082 234.1469 190.2903 238.9007 190.7725 242.4288 191.2546 244.5152 191.7367 243.5035 192.2188 239.2760 192.7009 232.2815 193.1830 223.0032 193.6652 211.5048 194.1473 198.4704 194.6294 183.5427 195.1115 166.9511 195.5936 151.8052 196.0757 138.4200 196.5579 126.2417 197.0400 114.3282 197.5221 102.6680 198.0042 91.39996 198.4863 80.15668 198.9684 68.96619 199.4506 59.31165 199.9327 51.44025 200.4148 45.07248 200.8969 39.94351 201.3790 36.14212 201.8611 32.81763 202.3433 29.30417 202.8254 25.49365 203.3075 22.65182 203.7896 20.81082 204.2717 20.04941 204.7538 20.35352 205.2360 21.41422 205.7181 24.59103 206.2002 31.61783 206.6823 43.38141 207.1644 53.13400 207.6465 60.13583 208.1287 64.89670 208.6108 69.08719 209.0929 72.77881 209.5750 75.70316 210.0571 77.42856 210.5392 77.62421 211.0214 78.28561 211.5035 79.81464 211.9856 81.85342 212.4677 83.09949 212.9498 83.25717 213.4319 83.31573 213.9141 84.00470 214.3962 85.67245 214.8783 86.59534 215.3604 85.95349 215.8425 84.55161 216.3246 85.95029 216.8067 91.32025 217.2889 97.23349 217.7710 101.6900 218.2531 104.4188 218.7352 106.3761 219.2173 107.0715 219.6994 107.0568 220.1816 108.8959 220.6637 112.9534 221.1458 118.2220 221.6279 124.5299 222.1100 133.3727 222.5921 139.4081 223.0743 141.9727 223.5564 141.4292 224.0385 139.2910 224.5206 135.0381 225.0027 129.7494 225.4848 124.7504 225.9670 120.4453 226.4491 115.3578 226.9312 107.9670 227.4133 99.57373 227.8954 96.49960 228.3775 101.0829 228.8597 107.5732 229.3418 112.4392 229.8239 114.6452 230.3060 117.5106 230.7881 120.7886 231.2702 124.8458 231.7524 131.5799 232.2345 142.2717 232.7166 153.6604 233.1987 163.6325 233.6808 171.1915 234.1629 179.5191 234.6451 188.7394 235.1272 198.7998 235.6093 209.8980 236.0914 222.2601 236.5735 235.4426 237.0556 249.1640 237.5378 263.6286 238.0199 277.8474 238.5020 291.8307 238.9841 305.7331 239.4662 319.2218 239.9483 331.3456 240.4305 344.2785 240.9126 359.6404 241.3947 379.3817 241.8768 397.3979 242.3589 413.3248 242.8410 427.2717 243.3232 440.1230 243.8053 452.7390 244.2874 463.2425 244.7695 470.7177 245.2516 475.7534 245.7337 476.3436 246.2159 472.0813 246.6980 463.2645 247.1801 451.1115 247.6622 435.4615 248.1443 416.6740 248.6264 395.0194 249.1086 370.1430 249.5907 342.5473 250.0728 310.6450 250.5549 276.4690 251.0370 245.4228 251.5191 218.0569 252.0013 192.9795 252.4834 169.0908 252.9655 146.0098 253.4476 126.0878 253.9297 109.7113 254.4118 96.35678 254.8940 84.61996 255.3761 74.84338 255.8582 66.02527 256.3403 57.76627 256.8224 49.89297 257.3046 43.20496 257.7867 37.87314 258.2688 33.66528 258.7509 30.23590 259.2330 27.74039 259.7151 25.76645 260.1973 24.11609 260.6794 22.73682 261.1615 22.10007 261.6436 22.39502 262.1257 23.27908 262.6078 24.16580 263.0900 24.92844 263.5721 26.00269 264.0542 27.55185 264.5363 29.63940 265.0184 31.94348 265.5005 34.53485 265.9827 37.30722 266.4648 40.12296 266.9469 42.89734 267.4290 45.94980 267.9111 49.68356 268.3932 54.19611 268.8754 57.38391 269.3575 58.96466 269.8396 59.64413 270.3217 60.36859 270.8038 61.33990 271.2859 61.51889 271.7681 60.38535 272.2502 57.99936 272.7323 56.05481 273.2144 54.74017 273.6965 53.56073 274.1786 52.13464 274.6608 50.52173 275.1429 48.19876 275.6250 44.79352 276.1071 40.51773 276.5892 36.70392 277.0714 33.35297 277.5535 30.65729 278.0356 29.02072 278.5177 28.55057 278.9998 27.95523 279.4819 26.77988 279.9641 25.30847 280.4462 25.02820 280.9283 26.16388 281.4104 27.51169 281.8925 27.99756 282.3746 27.60788 282.8568 27.52457 283.3389 28.10056 283.8210 28.98981 284.3031 29.32465 284.7852 29.11963 285.2673 28.28278 285.7495 26.53770 286.2316 23.95598 286.7137 21.40417 287.1958 18.98540 287.6779 16.66234 288.1600 14.42508 288.6422 12.27568 289.1243 9.964966 289.6064 7.105560 290.0885 3.871796 290.5706 1.298706 291.0527 0.5639650 291.5349 1.649429 292.0170 1.306595 292.4991 0.3010250 292.9812 1.374130 293.4633 0.1901860 293.9454 2.370697 294.4276 3.240143 294.9097 1.985489 295.3918 0.1870570 295.8739 6.5094002E-02 296.3560 0.9388730 296.8381 1.845337 297.3203 1.832077 297.8024 1.301987 298.2845 1.128571 298.7666 1.359177 299.2487 1.635391 299.7308 1.256989 300.2130 0.5859990 300.6951 0.6712650 301.1772 2.623169 301.6593 5.226044 302.1414 6.808792 302.6235 7.367050 303.1057 7.383118 303.5878 6.837997 304.0699 6.061142 304.5520 5.694901 305.0341 6.343384 305.5162 7.123322 305.9984 7.134415 306.4805 6.428940 306.9626 5.391403 307.4447 4.053864 307.9268 2.609818 308.4089 1.411789 308.8911 0.9608920 309.3732 0.1397550 309.8553 2.313446 310.3374 5.977493 310.8195 9.477097 311.3016 11.77257 311.7838 13.64714 312.2659 15.76785 312.7480 18.19121 313.2301 21.02789 313.7122 24.59375 314.1943 28.64896 314.6765 32.62238 315.1586 36.14301 315.6407 39.57422 316.1228 43.10353 316.6049 46.67319 317.0870 50.63753 317.5692 55.14294 318.0513 60.11285 318.5334 65.41998 319.0155 70.99887 319.4976 76.92953 319.9797 83.46072 320.4619 90.69630 320.9440 97.40276 321.4261 102.7101 321.9082 107.4768 322.3903 112.4939 322.8724 118.0327 323.3546 123.7265 323.8367 129.6354 324.3188 135.7333 324.8009 141.5035 325.2830 146.6611 325.7651 151.5416 326.2473 156.3506 326.7294 161.6291 327.2115 166.2521 327.6936 169.9832 328.1757 172.9184 328.6578 175.6717 329.1400 179.3336 329.6221 181.9381 330.1042 182.6109 330.5863 180.1544 331.0684 177.7252 331.5505 175.3371 332.0327 172.9803 332.5148 170.7451 332.9969 169.3119 333.4790 167.0337 333.9611 163.1470 334.4432 157.1826 334.9254 151.4002 335.4075 145.9433 335.8896 140.6002 336.3717 135.0896 336.8538 129.4116 337.3359 123.6769 337.8180 117.9283 338.3001 112.1963 338.7823 106.4912 339.2644 100.7118 339.7465 95.30276 340.2286 90.60526 340.7107 86.61508 341.1928 83.67345 341.6750 82.05637 342.1571 81.52002 342.6392 81.34607 343.1213 81.58673 343.6034 81.93787 344.0855 82.12256 344.5677 82.15292 345.0498 82.41763 345.5319 82.98547 346.0140 83.79291 346.4961 84.45915 346.9782 85.01541 347.4604 86.39915 347.9425 90.03708 348.4246 95.14056 348.9067 98.32376 349.3888 99.06363 349.8709 98.79236 350.3531 99.03775 350.8352 99.83748 351.3173 101.3760 351.7994 104.0795 352.2815 107.2107 352.7636 109.5489 353.2458 111.1408 353.7279 112.7615 354.2100 115.1944 354.6921 118.0190 355.1742 120.5537 355.6563 122.3976 356.1385 124.1577 356.6206 126.4787 357.1027 129.2780 357.5848 132.0573 358.0669 134.8573 358.5490 137.2151 359.0312 138.6702 359.5133 139.0339 359.9954 138.7898 360.4775 138.0496 360.9596 136.9826 361.4417 135.9004 361.9239 135.0115 362.4060 134.0306 362.8881 132.8800 363.3702 131.6547 363.8523 129.7939 364.3344 127.0085 364.8166 123.5809 365.2987 119.8078 365.7808 114.9061 366.2629 110.6698 366.7450 107.9714 367.2271 106.7108 367.7093 104.7171 368.1914 100.9615 368.6735 96.76387 369.1556 92.94551 369.6377 89.54118 370.1198 86.62799 370.6020 84.29361 371.0841 82.45898 371.5662 80.87192 372.0483 79.82581 372.5304 78.69836 373.0125 77.23291 373.4947 75.38922 373.9768 73.25320 374.4589 70.38049 374.9410 67.54663 375.4231 65.90411 375.9052 65.32118 376.3874 66.39720 376.8695 70.42508 377.3516 77.27231 377.8337 78.99609 378.3158 74.41174 378.7979 68.13667 379.2801 64.82930 379.7622 64.63943 380.2443 64.46542 380.7264 63.47189 381.2085 62.03658 381.6906 61.44084 382.1728 61.71353 382.6549 62.14513 383.1370 62.79062 383.6191 63.34894 384.1012 62.08502 384.5833 58.29008 385.0655 53.99762 385.5476 52.30702 386.0297 52.56569 386.5118 52.39246 386.9939 49.89763 387.4760 46.44954 387.9582 44.24446 388.4403 43.30786 388.9224 42.31210 389.4045 39.96648 389.8866 37.01430 390.3687 34.42914 390.8509 32.54372 391.3330 31.07932 391.8151 30.17365 392.2972 29.64742 392.7793 28.72978 393.2614 26.86559 393.7436 24.58643 394.2257 22.09596 394.7078 19.14659 395.1899 16.83061 395.6720 15.83485 396.1541 15.60939 396.6363 15.27074 397.1184 14.50401 397.6005 13.68726 398.0826 12.96968 398.5647 12.38434 399.0468 11.66728 399.5290 10.87668 400.0111 9.899323 400.4932 8.624008 400.9753 6.435532 401.4574 4.783417 401.9395 4.009979 402.4217 3.920776 402.9038 3.621460 403.3859 3.006104 403.8680 2.337784 404.3501 1.762619 404.8322 1.368423 405.3144 0.6760710 405.7965 0.6320650 406.2786 1.851990 406.7607 1.471252 407.2428 0.9487760 407.7249 2.527802 408.2071 1.908493 408.6892 0.4571080 409.1713 1.584686 409.6534 1.334579 410.1355 0.6761320 410.6176 0.4893190 411.0998 0.6870420 411.5819 0.7377170 412.0640 0.4828490 412.5461 0.1306760 413.0282 1.3382000E-02 413.5103 0.1084590 413.9925 0.2759860 414.4746 0.6834870 414.9567 1.033844 415.4388 0.7429350 415.9209 1.394642 416.4030 1.404617 416.8852 2.147369 417.3673 2.556183 417.8494 2.685760 418.3315 2.151535 418.8136 1.685577 419.2957 1.916656 419.7779 2.728088 420.2600 3.340515 420.7421 3.198303 421.2242 2.845734 421.7063 2.734512 422.1884 3.302963 422.6706 3.436752 423.1527 2.176743 423.6348 0.3769230 424.1169 0.3674770 424.5990 1.332413 425.0811 2.999222 425.5633 3.848175 426.0454 3.749252 426.5275 3.691055 427.0096 3.624664 427.4917 3.631149 427.9738 3.780136 428.4560 4.109955 428.9381 4.487488 429.4202 4.778748 429.9023 5.125031 430.3844 6.306992 430.8665 8.833740 431.3487 10.64575 431.8308 10.36391 432.3129 7.814713 432.7950 5.896378 433.2771 4.680969 433.7592 4.006378 434.2414 3.886017 434.7235 4.256668 435.2056 4.341125 435.6877 3.870682 436.1698 2.978958 436.6519 2.656716 437.1341 0.1875760 437.6162 1.431030 438.0983 0.9361570 438.5804 0.4708400 439.0625 1.383621 439.5446 1.543274 440.0268 1.280930 440.5089 0.4782560 440.9910 0.5199130 441.4731 0.9994350 441.9552 0.1369780 442.4373 1.274780 442.9195 1.159424 443.4016 0.2086490 443.8837 1.325668 444.3658 1.478226 444.8479 1.186737 445.3300 0.8464510 445.8122 0.3309480 446.2943 4.1122001E-02 446.7764 0.2767330 447.2585 0.7948610 447.7406 0.9717560 448.2227 0.3868560 448.7049 0.1689150 449.1870 0.4613340 449.6691 0.4402470 450.1512 0.4667050 450.6333 0.6505280 451.1154 0.7669070 451.5976 0.4943240 452.0797 0.4277340 452.5618 0.8063200 453.0439 0.2643740 453.5260 0.8415220 454.0081 1.365417 454.4903 1.215591 454.9724 1.099045 455.4545 1.323654 455.9366 1.893509 456.4187 2.995102 456.9008 4.706528 457.3830 6.495941 457.8651 7.504150 458.3472 8.009018 458.8293 8.887726 459.3114 10.61044 459.7935 12.65984 460.2757 14.36484 460.7578 15.80202 461.2399 17.41568 461.7220 19.87425 462.2041 22.42505 462.6862 24.27835 463.1684 25.19861 463.6505 25.83940 464.1326 26.53055 464.6147 27.25093 465.0968 27.97498 465.5789 28.19781 466.0611 28.61667 466.5432 29.66139 467.0253 31.25261 467.5074 32.22577 467.9895 31.83250 468.4716 31.29692 468.9538 31.24342 469.4359 32.22508 469.9180 32.49828 470.4001 31.80559 470.8822 30.57707 471.3643 29.42892 471.8465 28.34880 472.3286 27.37912 472.8107 26.71649 473.2928 26.24081 473.7749 24.85794 474.2570 22.38873 474.7392 19.78014 475.2213 17.64522 475.7034 15.96234 476.1855 14.67583 476.6676 13.85567 477.1497 13.19159 477.6319 12.34232 478.1140 11.31104 478.5961 10.11957 479.0782 8.722946 479.5603 7.209198 480.0424 5.510376 480.5246 3.677887 481.0067 2.206467 481.4888 1.549957 481.9709 1.278259 482.4530 1.111450 482.9352 0.8457490 483.4173 0.8308560 483.8994 1.704330 484.3815 2.801666 484.8636 3.101288 485.3457 1.569092 485.8279 4.5196999E-02 486.3100 0.9613490 486.7921 1.437500 487.2742 1.996582 487.7563 3.154678 488.2384 3.868805 488.7206 3.693863 489.2027 3.043762 489.6848 7.1517996E-02 490.1669 7.627960 490.6490 15.53847 491.1311 16.33636 491.6133 8.819260 492.0954 2.404922 492.5775 0.1722560 493.0596 0.6089940 493.5417 3.750977 494.0238 9.276245 494.5060 14.45311 494.9881 17.12704 495.4702 17.81535 495.9523 17.83809 496.4344 17.24695 496.9165 16.66151 497.3987 16.86589 497.8808 17.53413 498.3629 18.04454 498.8450 18.16212 499.3271 17.97899 499.8092 17.40909 500.2914 16.52870 500.7735 15.99324 501.2556 16.04863 501.7377 16.43854 502.2198 17.09738 502.7019 18.06139 503.1841 19.29314 503.6662 20.61900 504.1483 22.29724 504.6304 24.71370 505.1125 29.28598 505.5946 32.14714 506.0768 32.03914 506.5589 29.73218 507.0410 29.41377 507.5231 31.92393 508.0052 34.03580 508.4873 33.96458 508.9695 31.68831 509.4516 28.76064 509.9337 24.87517 510.4158 21.51683 510.8979 20.95795 511.3800 22.60825 511.8622 23.82053 512.3443 23.62363 512.8264 23.05811 513.3085 23.53049 513.7906 24.84500 514.2728 26.29990 514.7549 27.57788 515.2370 28.77386 515.7191 29.95750 516.2012 31.14000 516.6833 32.34073 517.1655 33.17877 517.6476 34.26109 518.1297 36.11314 518.6118 39.39809 519.0939 42.76971 519.5760 46.21883 520.0582 49.59258 520.5403 52.60539 521.0224 54.62166 521.5045 57.10506 521.9866 60.42899 522.4688 64.61043 522.9509 69.35417 523.4330 74.77524 523.9151 80.54446 524.3972 86.77341 524.8793 93.46295 525.3615 98.71719 525.8436 102.0409 526.3257 104.8954 526.8078 109.5427 527.2899 115.6718 527.7720 121.7606 528.2542 127.1482 528.7363 132.1382 529.2184 137.3129 529.7005 142.5385 530.1826 147.3473 530.6647 151.4445 531.1469 154.9853 531.6290 158.1050 532.1111 160.7524 532.5932 163.2389 533.0753 165.6547 533.5574 167.9995 534.0396 170.2313 534.5217 172.6303 535.0038 174.6120 535.4859 176.0103 535.9680 176.9457 536.4501 177.8651 536.9323 179.1776 537.4144 179.7654 537.8965 178.9783 538.3786 176.7749 538.8607 175.3521 539.3428 175.0654 539.8250 174.5256 540.3071 172.4353 540.7892 168.9173 541.2713 164.4828 541.7534 159.1259 542.2355 153.3526 542.7177 147.6567 543.1998 141.9813 543.6819 136.2043 544.1640 129.7700 544.6461 123.7255 545.1282 119.2429 545.6104 116.0805 546.0925 112.8687 546.5746 108.8071 547.0567 104.5574 547.5388 100.4769 548.0209 96.39371 548.5031 92.98878 548.9852 90.89529 549.4673 89.22800 549.9494 87.03098 550.4315 83.55023 550.9136 80.72260 551.3958 78.93646 551.8779 77.86815 552.3600 76.54277 552.8421 74.77510 553.3242 73.38664 553.8063 72.90050 554.2885 73.16403 554.7706 72.97456 555.2527 72.31688 555.7348 71.38083 556.2169 69.82257 556.6990 68.13675 557.1812 67.73582 557.6633 69.07503 558.1454 70.82143 558.6275 71.94260 559.1096 72.53397 559.5917 72.78513 560.0739 71.88205 560.5560 71.49352 561.0381 72.70140 561.5202 75.20981 562.0023 77.73471 562.4844 79.56705 562.9666 81.68268 563.4487 84.74493 563.9308 89.13306 564.4129 92.45218 564.8950 93.91898 565.3771 95.16843 565.8593 97.69650 566.3414 101.9052 566.8235 105.6213 567.3056 108.4500 567.7877 111.0428 568.2698 114.8048 568.7520 119.6857 569.2341 124.2388 569.7162 127.6119 570.1983 130.5682 570.6804 134.8576 571.1625 140.2663 571.6447 145.3996 572.1268 149.2715 572.6089 152.4871 573.0910 155.7121 573.5731 159.1627 574.0552 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