#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:36 +0300 (Thu, 26 Apr 2018) $ #$Revision: 549 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000097.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_1000097 loop_ _publ_author_name 'Rozhdestvenskaya, I. V.' 'Bannova, I. I.' 'Nikishova, L. V.' 'Soboleva, T. V.' _publ_section_title ; The crystal structure of fenaksite K2Na2Fe2Si8O20 Locality: synthetic ; _journal_name_full 'Doklady Earth Sciences' _journal_page_first 1029 _journal_page_last 1033 _journal_volume 398 _journal_year 2004 _chemical_compound_source R080135 _chemical_formula_sum 'Fe K Na O10 Si4' _chemical_name_mineral Fenaksite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 100.21 _cell_angle_beta 114.13 _cell_angle_gamma 105.87 _cell_length_a 8.142 _cell_length_b 9.954 _cell_length_c 6.983 _cell_volume 469.098 _exptl_crystal_density_diffrn 2.763 _cod_original_formula_sum 'K Na Fe Si4 O10' _cod_database_code 9012902 _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 R080135.rod _rod_data_source.block 3500000 _rod_database.code 1000097 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 9012902 COD http://www.crystallography.net/cod/9012902.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 114.9964 0.0000000E+00 115.4785 8.1329998E-03 115.9606 5.1727001E-02 116.4427 0.1500850 116.9248 1.159943 117.4069 3.554031 117.8891 6.735199 118.3712 9.591629 118.8533 11.88860 119.3354 13.87718 119.8175 15.53250 120.2996 16.87999 120.7818 18.67918 121.2639 21.95599 121.7460 26.95245 122.2281 31.26537 122.7102 33.73602 123.1923 35.67676 123.6745 37.57625 124.1566 39.57224 124.6387 41.63834 125.1208 43.87216 125.6029 46.73897 126.0850 48.78033 126.5672 50.08063 127.0493 50.81461 127.5314 51.46268 128.0135 52.66602 128.4956 53.35321 128.9777 52.37477 129.4599 48.59584 129.9420 45.86211 130.4241 44.35292 130.9062 43.36986 131.3883 42.09261 131.8704 40.47238 132.3526 38.77298 132.8347 36.75934 133.3168 34.28531 133.7989 31.70834 134.2810 29.21199 134.7632 26.80740 135.2453 24.25227 135.7274 21.23700 136.2095 17.95308 136.6916 15.07623 137.1737 12.77742 137.6559 10.80515 138.1380 8.936920 138.6201 7.191605 139.1022 5.447235 139.5843 3.346878 140.0664 1.205612 140.5486 0.4332730 141.0307 1.276779 141.5128 1.476669 141.9949 1.400665 142.4770 0.7617650 142.9591 0.2794650 143.4413 0.3602600 143.9234 0.7915950 144.4055 1.185837 144.8876 1.271011 145.3697 1.046524 145.8518 0.7504430 146.3340 0.3998870 146.8161 4.1533999E-02 147.2982 0.9539950 147.7803 2.072266 148.2624 3.049500 148.7445 3.628281 149.2267 2.695023 149.7088 2.291855 150.1909 2.819534 150.6730 3.683807 151.1551 4.625931 151.6372 5.582870 152.1194 6.563187 152.6015 7.627075 153.0836 8.944733 153.5657 9.740051 154.0478 9.608978 154.5299 9.150375 155.0121 8.754120 155.4942 8.474762 155.9763 8.703796 156.4584 10.45755 156.9405 13.88742 157.4226 16.80481 157.9048 18.69922 158.3869 19.67047 158.8690 19.63698 159.3511 17.91795 159.8332 16.27197 160.3153 16.93645 160.7975 19.92693 161.2796 23.26891 161.7617 26.11580 162.2438 28.44502 162.7259 29.68172 163.2081 28.71002 163.6902 27.34477 164.1723 27.04581 164.6544 27.94427 165.1365 29.06708 165.6186 29.38788 166.1008 28.77905 166.5829 27.92177 167.0650 26.63704 167.5471 25.33456 168.0292 24.21330 168.5113 23.33830 168.9935 22.74899 169.4756 22.65309 169.9577 23.81731 170.4398 23.92587 170.9219 22.38223 171.4040 20.14334 171.8862 17.93680 172.3683 16.04355 172.8504 14.48676 173.3325 12.77356 173.8146 10.37140 174.2967 8.505844 174.7789 7.715942 175.2610 7.307053 175.7431 6.339996 176.2252 4.344330 176.7073 1.807343 177.1894 0.3903350 177.6716 1.204697 178.1537 1.635574 178.6358 0.8065800 179.1179 0.7297360 179.6000 1.862183 180.0821 1.944061 180.5643 1.392059 181.0464 1.561279 181.5285 3.110489 182.0106 4.310776 182.4927 4.100220 182.9748 2.742508 183.4570 1.415802 183.9391 0.6535190 184.4212 0.3151090 184.9033 5.3249998E-03 185.3854 0.2772060 185.8675 0.5280300 186.3497 0.7391970 186.8318 0.9128270 187.3139 1.068314 187.7960 0.9764400 188.2781 0.9980320 188.7602 1.610443 189.2424 3.060715 189.7245 4.787521 190.2066 6.063385 190.6887 6.793457 191.1708 7.415131 191.6530 8.039337 192.1351 8.651260 192.6172 9.335617 193.0993 10.18161 193.5814 10.86626 194.0635 10.50174 194.5457 8.005508 195.0278 6.685364 195.5099 8.116959 195.9920 10.46201 196.4741 11.90263 196.9562 11.60419 197.4384 10.11092 197.9205 8.964783 198.4026 8.153488 198.8847 7.764648 199.3668 7.998291 199.8489 8.619492 200.3311 9.452255 200.8132 10.38820 201.2953 11.32939 201.7774 11.99335 202.2595 12.24239 202.7416 12.36736 203.2238 12.30420 203.7059 12.17992 204.1880 12.17728 204.6701 12.40331 205.1522 12.80873 205.6343 13.12352 206.1165 13.08049 206.5986 13.22717 207.0807 13.71794 207.5628 14.47414 208.0449 15.45880 208.5270 16.74724 209.0092 18.09343 209.4913 18.42857 209.9734 16.83047 210.4555 15.54611 210.9376 15.57732 211.4197 16.57011 211.9019 17.49292 212.3840 17.66776 212.8661 17.60532 213.3482 18.73080 213.8303 21.81841 214.3124 24.75563 214.7946 26.00133 215.2767 25.88980 215.7588 26.23869 216.2409 28.04707 216.7230 30.68661 217.2052 32.82208 217.6873 34.09933 218.1694 35.58084 218.6515 38.22925 219.1336 42.01212 219.6157 45.76865 220.0979 48.85927 220.5800 51.88257 221.0621 55.60165 221.5442 60.25200 222.0263 64.97029 222.5084 68.67586 222.9906 71.24113 223.4727 74.37135 223.9548 78.99312 224.4369 84.16681 224.9190 89.35117 225.4011 94.49377 225.8833 99.38512 226.3654 103.6686 226.8475 107.1241 227.3296 110.9562 227.8117 116.3170 228.2938 121.5476 228.7760 125.6527 229.2581 128.4259 229.7402 130.0855 230.2223 130.7664 230.7044 130.1735 231.1865 129.5203 231.6687 129.8651 232.1508 129.5645 232.6329 127.3453 233.1150 123.0616 233.5971 117.7673 234.0792 112.9526 234.5614 109.0661 235.0435 104.5087 235.5256 99.06870 236.0077 93.20435 236.4898 86.84700 236.9719 80.16864 237.4541 73.77254 237.9362 68.67148 238.4183 65.73264 238.9004 62.12437 239.3825 57.03789 239.8646 51.90553 240.3468 47.85182 240.8289 45.01091 241.3110 42.64868 241.7931 39.72273 242.2752 35.62056 242.7573 32.85645 243.2395 32.35399 243.7216 32.28030 244.2037 31.38608 244.6858 29.57921 245.1679 27.64980 245.6501 26.43820 246.1322 26.04294 246.6143 26.24110 247.0964 27.63663 247.5785 29.10674 248.0606 29.80087 248.5428 29.71396 249.0249 29.52350 249.5070 29.87111 249.9891 30.87303 250.4712 31.83672 250.9533 32.67824 251.4355 33.60947 251.9176 34.63350 252.3997 35.75920 252.8818 37.10828 253.3639 38.74902 253.8460 40.74168 254.3282 42.97076 254.8103 45.66786 255.2924 48.40344 255.7745 50.88673 256.2566 53.10780 256.7387 55.08991 257.2209 56.64120 257.7030 57.95734 258.1851 60.09225 258.6672 63.95485 259.1493 67.88838 259.6314 70.60181 260.1136 72.20725 260.5957 73.83755 261.0778 76.22167 261.5599 79.11403 262.0420 81.65430 262.5241 83.27100 263.0063 85.20180 263.4884 88.73929 263.9705 93.66812 264.4526 98.06409 264.9347 100.7351 265.4168 102.4672 265.8990 104.8632 266.3811 108.2430 266.8632 111.6858 267.3453 114.5194 267.8274 116.8043 268.3095 119.1150 268.7917 121.9582 269.2738 124.5887 269.7559 125.9843 270.2380 125.9332 270.7201 125.7296 271.2022 126.3739 271.6844 127.7205 272.1665 128.8979 272.6486 130.2673 273.1307 130.6207 273.6128 128.7037 274.0949 124.5258 274.5771 120.0820 275.0592 117.0941 275.5413 115.1367 276.0234 111.5343 276.5055 104.4854 276.9876 97.56716 277.4698 93.76471 277.9519 92.58729 278.4340 91.50189 278.9161 88.85821 279.3982 85.00763 279.8803 81.35564 280.3625 77.61436 280.8446 74.76844 281.3267 73.45958 281.8088 73.40824 282.2909 73.97224 282.7730 75.25474 283.2552 76.83257 283.7373 77.08171 284.2194 74.89314 284.7015 73.56890 285.1836 75.31741 285.6658 78.65466 286.1479 81.43226 286.6300 82.71243 287.1121 82.81877 287.5942 82.33771 288.0764 81.06028 288.5585 79.65112 289.0406 78.38703 289.5227 77.14292 290.0048 75.89949 290.4869 74.69846 290.9691 73.16646 291.4512 70.58332 291.9333 66.69725 292.4154 62.67848 292.8975 58.88902 293.3796 55.00491 293.8618 50.74073 294.3439 46.07521 294.8260 41.32994 295.3081 36.82295 295.7902 32.51948 296.2723 28.65944 296.7545 25.34790 297.2366 22.47273 297.7187 20.26178 298.2008 18.62568 298.6829 16.93870 299.1650 14.36926 299.6472 10.74228 300.1293 7.821884 300.6114 6.235840 301.0935 4.970230 301.5756 3.553902 302.0577 2.060799 302.5399 0.8250270 303.0220 0.1760640 303.5041 9.0813003E-02 303.9862 3.6858000E-02 304.4683 0.1038740 304.9504 9.2789002E-02 305.4326 0.2314380 305.9147 0.6679380 306.3968 0.7941210 306.8789 0.2152250 307.3610 0.7902680 307.8431 0.9052200 308.3253 0.7857740 308.8074 1.914330 309.2895 1.408363 309.7716 0.2024920 310.2537 0.5130460 310.7358 0.1643980 311.2180 0.6756520 311.7001 0.6268920 312.1822 0.9424900 312.6643 1.987450 313.1464 1.393005 313.6285 0.6025310 314.1107 0.8782270 314.5928 2.542976 315.0749 4.805283 315.5570 6.599113 316.0391 7.874275 316.5212 8.845764 317.0034 8.955856 317.4855 9.216347 317.9676 10.25302 318.4497 12.07248 318.9318 14.20541 319.4139 16.20539 319.8961 18.04662 320.3782 19.98041 320.8603 21.94534 321.3424 24.07518 321.8245 26.78755 322.3066 29.74135 322.7888 32.12865 323.2709 33.15866 323.7530 33.07005 324.2351 33.66627 324.7172 35.70984 325.1993 37.37170 325.6815 38.04275 326.1636 38.04643 326.6457 37.82281 327.1278 37.56274 327.6099 37.25670 328.0920 36.91701 328.5742 36.67876 329.0563 36.08306 329.5384 35.29008 330.0205 34.00493 330.5026 31.80559 330.9847 28.56756 331.4669 24.89344 331.9490 21.52982 332.4311 18.46812 332.9132 15.76128 333.3953 13.38964 333.8774 11.41290 334.3596 10.17121 334.8417 9.547012 335.3238 8.837265 335.8059 7.166687 336.2880 4.508156 336.7701 2.588318 337.2523 1.953377 337.7344 1.538971 338.2165 0.9001160 338.6986 8.7852001E-02 339.1807 0.7608720 339.6628 1.667557 340.1450 2.519836 340.6271 2.825500 341.1092 2.235603 341.5913 1.768982 342.0735 2.022446 342.5556 2.535881 343.0377 2.715370 343.5198 2.283295 344.0019 1.607811 344.4840 1.296547 344.9662 1.431145 345.4483 1.563683 345.9304 1.467911 346.4125 1.374870 346.8946 1.542519 347.3767 2.013382 347.8589 2.386253 348.3410 2.158180 348.8231 1.348610 349.3052 0.7918550 349.7873 0.9184880 350.2694 0.9525220 350.7516 0.2312930 351.2337 1.082108 351.7158 2.263741 352.1979 2.874641 352.6800 3.023239 353.1621 2.994675 353.6443 2.651070 354.1264 2.459930 354.6085 2.719727 355.0906 3.296577 355.5727 4.079697 356.0548 5.318825 356.5370 6.406326 357.0191 6.255417 357.5012 4.724892 357.9833 3.557907 358.4654 3.699135 358.9475 4.469803 359.4297 4.984932 359.9118 5.066750 360.3939 5.386482 360.8760 6.542374 361.3581 8.400993 361.8402 10.39260 362.3224 12.60783 362.8045 14.54359 363.2866 15.45435 363.7687 15.45376 364.2508 15.72639 364.7329 17.05682 365.2151 18.86741 365.6972 20.26131 366.1793 21.15143 366.6614 21.54321 367.1435 21.02190 367.6256 20.08463 368.1078 20.19859 368.5899 22.56108 369.0720 25.18669 369.5541 26.42244 370.0362 26.45110 370.5183 26.30178 371.0005 26.33801 371.4826 26.61265 371.9647 27.26541 372.4468 28.47890 372.9289 29.56091 373.4110 30.45705 373.8932 31.00200 374.3753 30.65060 374.8574 29.14291 375.3395 27.45855 375.8216 26.83312 376.3037 27.34642 376.7859 28.26385 377.2680 30.01311 377.7501 31.80789 378.2322 32.77381 378.7143 32.97237 379.1964 33.35666 379.6786 34.67686 380.1607 36.85241 380.6428 38.85258 381.1249 40.72231 381.6070 42.38564 382.0891 43.67794 382.5713 44.76679 383.0534 46.00215 383.5355 47.55697 384.0176 49.21735 384.4997 50.53204 384.9818 51.31709 385.4640 52.02641 385.9461 52.80066 386.4282 53.41934 386.9103 53.69830 387.3924 53.60991 387.8745 53.24895 388.3567 52.77168 388.8388 52.28374 389.3209 50.84924 389.8030 47.68913 390.2851 44.53005 390.7672 42.12684 391.2494 40.22068 391.7315 38.16338 392.2136 35.55953 392.6957 32.59966 393.1778 30.07005 393.6599 28.31701 394.1421 26.53091 394.6242 24.72371 395.1063 22.79379 395.5884 20.49146 396.0706 17.81737 396.5527 15.26808 397.0348 13.63812 397.5169 13.29201 397.9990 12.42834 398.4811 10.56472 398.9633 8.738892 399.4454 7.275826 399.9275 6.121063 400.4096 5.101593 400.8917 4.107628 401.3738 3.244873 401.8560 2.914680 402.3381 3.569237 402.8202 3.787964 403.3023 2.608025 403.7844 1.104637 404.2665 0.4024120 404.7487 0.8385240 405.2308 1.787880 405.7129 2.723808 406.1950 3.722641 406.6771 4.154640 407.1592 3.315453 407.6414 2.392113 408.1235 2.312660 408.6056 3.026688 409.0877 3.912460 409.5698 4.441986 410.0519 4.832001 410.5341 5.667152 411.0162 7.021210 411.4983 8.580101 411.9804 10.47740 412.4625 12.37392 412.9446 13.65224 413.4268 14.10126 413.9089 14.13825 414.3910 13.80450 414.8731 13.20519 415.3552 12.98979 415.8373 13.47016 416.3195 14.34035 416.8016 15.18381 417.2837 15.96957 417.7658 16.45256 418.2479 16.38255 418.7300 16.14696 419.2122 16.25851 419.6943 16.75116 420.1764 17.15173 420.6585 17.02162 421.1406 16.43096 421.6227 16.22371 422.1049 16.71143 422.5870 17.20027 423.0691 17.53459 423.5512 17.66281 424.0333 17.34444 424.5154 16.45337 424.9976 15.51712 425.4797 15.57905 425.9618 17.52557 426.4439 18.70177 426.9260 19.00591 427.4081 18.66204 427.8903 17.34248 428.3724 15.37438 428.8545 13.87279 429.3366 13.80125 429.8187 15.09472 430.3008 16.28034 430.7830 17.51395 431.2651 18.44979 431.7472 18.81612 432.2293 18.93549 432.7114 19.04430 433.1935 19.24909 433.6757 19.82197 434.1578 21.36644 434.6399 24.26675 435.1220 26.75634 435.6041 28.52150 436.0862 29.97630 436.5684 31.22089 437.0505 32.30062 437.5326 33.31578 438.0147 34.44894 438.4968 35.53135 438.9789 35.79350 439.4611 34.75121 439.9432 34.11694 440.4253 35.06517 440.9074 36.57671 441.3895 37.69544 441.8716 38.25378 442.3538 38.27033 442.8359 37.77910 443.3180 36.76588 443.8001 35.06696 444.2822 32.36118 444.7643 29.47681 445.2465 27.35439 445.7286 25.79177 446.2107 23.96008 446.6928 21.15671 447.1749 18.29817 447.6570 16.51617 448.1392 15.71469 448.6213 14.73988 449.1034 12.84301 449.5855 10.50869 450.0677 9.097458 450.5498 8.700371 451.0319 8.794693 451.5140 9.893570 451.9961 11.12403 452.4782 11.04735 452.9604 9.511307 453.4425 8.139709 453.9246 8.712326 454.4067 11.48896 454.8888 13.48773 455.3709 14.50720 455.8531 15.11723 456.3352 15.18417 456.8173 15.05061 457.2994 15.25731 457.7815 16.05602 458.2636 17.22177 458.7458 18.31495 459.2279 19.40975 459.7100 20.26203 460.1921 20.93081 460.6742 21.33905 461.1563 21.42378 461.6385 21.19592 462.1206 20.71861 462.6027 20.03633 463.0848 19.15092 463.5669 18.04764 464.0490 16.66283 464.5312 15.19554 465.0133 13.71356 465.4954 12.19505 465.9775 10.52634 466.4596 8.647003 466.9417 6.944809 467.4239 5.908615 467.9060 5.428223 468.3881 4.719398 468.8702 3.575134 469.3523 2.363953 469.8344 1.378189 470.3166 0.5713350 470.7987 0.1452940 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