#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:07:19 +0300 (Thu, 26 Apr 2018) $ #$Revision: 648 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000181.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_1000181 loop_ _publ_author_name 'Andrade, M. B.' 'Atencio, D.' 'Menezes, L. A. D.' 'Ellena, J.' _publ_section_title ; The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 615 _journal_page_last 621 _journal_paper_doi 10.3749/canmin.49.2.615 _journal_volume 49 _journal_year 2011 _chemical_compound_source R120140 _chemical_formula_sum 'As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7' _chemical_name_mineral Fluornatromicrolite _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.4396 _cell_length_b 10.4396 _cell_length_c 10.4396 _cell_volume 1137.762 _exptl_crystal_density_diffrn 5.800 _cod_original_sg_symbol_H-M 'F d 3 m' _cod_original_formula_sum 'Na.88 Ca.88 Pb.02 (Ta1.7 Nb.14 Si.12 As.04) O6 F.73 H.24' _cod_database_code 9014190 _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 R120140.rod _rod_data_source.block 3500000 _rod_database.code 1000181 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 9014190 COD http://www.crystallography.net/cod/9014190.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 110.4842 0.0000000E+00 110.9664 0.1633380 111.4485 6.0066000E-02 111.9306 1.9835999E-02 112.4127 0.2838210 112.8948 0.9539720 113.3769 1.681709 113.8591 2.028610 114.3412 1.723656 114.8233 1.506073 115.3054 1.394951 115.7875 1.350090 116.2696 1.349197 116.7517 1.389038 117.2339 1.489601 117.7160 1.529358 118.1981 1.252739 118.6802 1.016502 119.1623 0.9218900 119.6444 0.9823910 120.1266 1.182854 120.6087 1.649712 121.0908 2.144775 121.5729 2.309128 122.0550 2.080338 122.5371 1.665810 123.0193 1.172379 123.5014 0.5597920 123.9835 8.3655998E-02 124.4656 7.7705003E-02 124.9477 3.8833998E-02 125.4298 0.1226270 125.9120 0.4197010 126.3941 0.7983780 126.8762 1.197060 127.3583 1.654152 127.8404 2.065399 128.3225 2.534447 128.8047 2.928986 129.2868 3.027313 129.7689 2.618195 130.2510 1.740082 130.7331 1.272285 131.2152 1.660721 131.6974 2.054634 132.1795 2.293175 132.6616 2.386681 133.1437 2.406471 133.6258 2.432915 134.1079 2.487175 134.5901 2.516060 135.0722 2.380455 135.5543 2.299751 136.0364 2.478539 136.5185 2.917175 137.0006 3.366203 137.4828 3.508583 137.9649 3.301399 138.4470 3.239372 138.9291 3.492058 139.4112 3.735374 139.8933 3.711288 140.3755 3.405334 140.8576 3.127167 141.3397 3.264359 141.8218 3.633507 142.3039 3.830765 142.7860 3.760155 143.2681 3.543182 143.7503 3.411461 144.2324 3.387596 144.7145 3.427528 145.1966 3.551727 145.6787 3.742020 146.1608 3.880119 146.6430 3.877808 147.1251 3.718109 147.6072 3.539818 148.0893 3.253334 148.5714 3.032013 149.0535 3.053047 149.5357 3.339386 150.0178 3.661491 150.4999 3.628548 150.9820 2.994949 151.4641 2.587502 151.9462 2.645172 152.4284 2.817406 152.9105 2.796349 153.3926 2.475746 153.8747 1.997513 154.3568 1.717827 154.8389 1.831955 155.3211 1.935883 155.8032 2.064011 156.2853 2.155731 156.7674 2.105286 157.2495 1.848648 157.7316 1.466537 158.2138 1.314346 158.6959 1.562714 159.1780 1.810745 159.6601 2.012894 160.1422 2.148155 160.6243 2.161781 161.1065 2.002388 161.5886 1.704056 162.0707 1.448372 162.5528 1.172653 163.0349 0.9911420 163.5170 1.076691 163.9991 1.393623 164.4813 1.578743 164.9634 1.339005 165.4455 0.8139110 165.9276 0.3454740 166.4097 7.2227001E-02 166.8918 0.3897320 167.3740 0.5162350 167.8561 0.4182590 168.3382 0.2188110 168.8203 5.1010001E-02 169.3024 6.9472998E-02 169.7845 0.1066740 170.2667 3.1189000E-02 170.7488 0.1239550 171.2309 0.3051760 171.7130 0.5938490 172.1951 0.7446140 172.6772 0.6192400 173.1594 0.3287200 173.6415 1.9157000E-02 174.1236 0.2464220 174.6057 0.4603730 175.0878 0.5597990 175.5699 0.4217990 176.0521 0.2997820 176.5342 0.2251820 177.0163 0.2199860 177.4984 0.3380970 177.9805 0.6430890 178.4626 1.131271 178.9448 1.390686 179.4269 1.088860 179.9090 0.8617320 180.3911 0.9532780 180.8732 1.295822 181.3553 1.666168 181.8375 1.868622 182.3196 1.878296 182.8017 2.030418 183.2838 2.404396 183.7659 2.801964 184.2480 3.135086 184.7301 3.394859 185.2123 3.611565 185.6944 3.816582 186.1765 4.014893 186.6586 4.139442 187.1407 4.157417 187.6228 4.140205 188.1050 4.078384 188.5871 3.976707 189.0692 3.990746 189.5513 4.375465 190.0334 5.114082 190.5155 5.582642 190.9977 5.498024 191.4798 5.216370 191.9619 5.157310 192.4440 5.385307 192.9261 5.662064 193.4082 5.749504 193.8904 5.714615 194.3725 5.751572 194.8546 5.965775 195.3367 6.281784 195.8188 6.575523 196.3009 6.874359 196.7831 7.059769 197.2652 6.981071 197.7473 6.723007 198.2294 6.499420 198.7115 6.384651 199.1936 6.378654 199.6758 6.523651 200.1579 6.980988 200.6400 7.372925 201.1221 7.493942 201.6042 7.398483 202.0863 7.223625 202.5685 7.007820 203.0506 6.761322 203.5327 6.675407 204.0148 6.816032 204.4969 7.072266 204.9790 7.511162 205.4612 8.039574 205.9433 8.462357 206.4254 8.606453 206.9075 8.460388 207.3896 8.277443 207.8717 7.919655 208.3539 7.649696 208.8360 7.591156 209.3181 7.703064 209.8002 7.866058 210.2823 7.982956 210.7644 8.055283 211.2466 8.054039 211.7287 7.753242 212.2108 7.591583 212.6929 7.862846 213.1750 8.468369 213.6571 9.077217 214.1393 9.391068 214.6214 9.378143 215.1035 9.249290 215.5856 8.802406 216.0677 8.439690 216.5498 8.415047 217.0320 8.691895 217.5141 9.028793 217.9962 9.200142 218.4783 9.175232 218.9604 9.268120 219.4425 9.479622 219.9247 9.787872 220.4068 10.15073 220.8889 10.58049 221.3710 11.16296 221.8531 11.98200 222.3352 13.06433 222.8174 14.22659 223.2995 15.79994 223.7816 17.20836 224.2637 17.98239 224.7458 18.11085 225.2279 17.92293 225.7100 17.74030 226.1922 17.47295 226.6743 16.63791 227.1564 14.85139 227.6385 12.69363 228.1206 10.59502 228.6027 8.568192 229.0849 6.745506 229.5670 5.225304 230.0491 4.016846 230.5312 3.124794 231.0133 2.794090 231.4954 2.667709 231.9776 2.322098 232.4597 1.717751 232.9418 1.101570 233.4239 0.6199800 233.9060 0.2262650 234.3881 0.1439130 234.8703 0.5305180 235.3524 0.8716740 235.8345 1.093254 236.3166 1.192093 236.7987 1.190132 237.2808 1.009163 237.7630 0.7657620 238.2451 0.5743100 238.7272 0.4570920 239.2093 0.4224240 239.6914 0.5236050 240.1735 0.8278500 240.6557 1.057404 241.1378 1.085014 241.6199 0.9980320 242.1020 0.8566820 242.5841 0.6722490 243.0662 0.4708860 243.5484 0.2797470 244.0305 6.5651000E-02 244.5126 4.0955000E-02 244.9947 0.1249920 245.4768 0.3397450 245.9589 0.3955000 246.4410 0.2166140 246.9232 7.3569998E-02 247.4053 0.2907030 247.8874 0.4732970 248.3695 0.4743350 248.8516 2.6320000E-03 249.3337 0.4949490 249.8159 0.5806500 250.2980 0.1408390 250.7801 0.5158000 251.2622 0.8532560 251.7443 0.6722110 252.2264 0.6139530 252.7086 0.7907410 253.1907 1.054184 253.6728 1.331314 254.1549 1.592430 254.6370 1.812141 255.1191 1.903572 255.6013 1.625610 256.0834 1.772079 256.5655 2.773758 257.0476 3.822762 257.5297 4.273659 258.0118 4.070930 258.4940 3.751328 258.9761 4.093575 259.4582 5.549080 259.9403 6.521042 260.4224 6.723289 260.9045 6.779564 261.3867 7.097923 261.8688 7.704010 262.3509 8.321053 262.8330 8.602959 263.3151 8.370018 263.7972 8.471924 264.2794 9.003967 264.7615 9.715530 265.2436 10.57033 265.7257 11.50249 266.2078 12.36064 266.6899 12.97862 267.1721 13.29823 267.6542 13.73862 268.1363 14.26414 268.6184 14.91161 269.1005 15.74424 269.5826 16.72694 270.0648 17.74634 270.5469 18.70956 271.0290 19.60653 271.5111 20.57131 271.9932 21.67653 272.4753 22.76070 272.9575 23.67513 273.4396 24.49744 273.9217 25.45094 274.4038 26.70986 274.8859 28.24035 275.3680 29.59138 275.8501 30.71822 276.3322 31.76865 276.8144 32.67101 277.2965 33.53634 277.7786 34.60502 278.2607 36.02480 278.7428 37.71999 279.2249 39.39227 279.7071 41.02804 280.1892 42.66789 280.6713 44.31938 281.1534 45.98308 281.6355 47.70770 282.1176 49.54235 282.5998 51.35640 283.0819 52.69093 283.5640 53.00912 284.0461 53.91933 284.5282 56.14519 285.0103 59.05666 285.4925 61.76869 285.9746 64.00259 286.4567 65.91644 286.9388 67.72011 287.4209 69.28255 287.9030 71.14670 288.3852 73.47156 288.8673 76.10841 289.3494 79.00843 289.8315 82.18002 290.3136 85.20252 290.7957 87.57784 291.2779 89.24231 291.7600 90.58686 292.2421 91.75144 292.7242 92.53656 293.2063 92.63916 293.6884 92.03905 294.1706 91.18307 294.6527 90.40529 295.1348 89.73283 295.6169 89.26377 296.0990 89.13774 296.5811 89.10569 297.0633 88.99715 297.5454 88.79736 298.0275 88.52973 298.5096 88.22870 298.9917 87.88886 299.4738 87.45768 299.9560 87.07018 300.4381 86.48627 300.9202 85.49157 301.4023 84.14444 301.8844 82.70674 302.3665 81.28072 302.8487 79.85918 303.3308 78.41730 303.8129 76.89668 304.2950 75.45052 304.7771 74.33047 305.2592 73.34433 305.7414 71.98671 306.2235 70.03623 306.7056 67.67415 307.1877 65.21841 307.6698 62.65951 308.1519 60.12775 308.6341 57.60238 309.1162 55.13062 309.5983 52.85373 310.0804 50.83896 310.5625 48.93205 311.0446 46.92948 311.5268 44.81428 312.0089 42.82539 312.4910 41.03165 312.9731 39.37948 313.4552 37.79533 313.9373 36.27460 314.4195 34.83868 314.9016 33.55363 315.3837 32.39214 315.8658 31.08041 316.3479 29.36559 316.8300 27.66080 317.3121 26.34737 317.7943 25.40796 318.2764 24.54175 318.7585 23.54535 319.2406 22.46799 319.7227 21.51402 320.2048 20.73246 320.6870 20.01090 321.1691 19.22216 321.6512 18.43125 322.1333 17.89893 322.6154 17.84933 323.0975 18.01099 323.5797 17.65621 324.0618 16.51153 324.5439 15.53682 325.0260 15.18884 325.5081 15.22048 325.9902 15.18556 326.4724 14.95349 326.9545 14.57299 327.4366 14.04334 327.9187 13.30122 328.4008 12.83042 328.8829 12.88631 329.3651 13.13575 329.8472 13.25364 330.3293 13.21032 330.8114 13.07687 331.2935 12.84704 331.7756 12.48657 332.2578 12.29646 332.7399 12.49535 333.2220 12.76108 333.7041 12.83213 334.1862 12.68745 334.6683 12.45408 335.1505 12.22022 335.6326 12.00707 336.1147 11.86414 336.5968 11.81369 337.0789 11.79865 337.5610 11.79893 338.0432 11.79717 338.5253 11.77969 339.0074 11.75145 339.4895 11.72440 339.9716 11.69294 340.4537 11.61741 340.9359 11.52333 341.4180 11.46527 341.9001 11.42709 342.3822 11.34031 342.8643 11.16229 343.3464 10.94838 343.8286 10.80323 344.3107 10.78690 344.7928 10.71284 345.2749 10.52827 345.7570 10.32574 346.2391 10.21085 346.7213 10.17062 347.2034 10.03687 347.6855 9.626686 348.1676 8.917091 348.6497 8.447701 349.1318 8.371574 349.6140 8.337440 350.0961 8.191727 350.5782 7.970833 351.0603 7.785179 351.5424 7.704025 352.0245 7.697350 352.5067 7.635460 352.9888 7.481491 353.4709 7.318085 353.9530 7.113167 354.4351 6.919823 354.9172 6.795166 355.3994 6.759872 355.8815 6.802727 356.3636 6.912292 356.8457 7.148720 357.3278 7.328072 357.8099 7.524628 358.2920 7.615685 358.7741 7.463608 359.2563 7.091881 359.7384 6.658905 360.2205 6.295090 360.7026 5.983299 361.1847 5.928703 361.6668 6.340652 362.1490 6.846527 362.6311 7.357170 363.1132 7.825706 363.5953 8.197830 364.0774 8.438293 364.5595 8.576424 365.0417 8.745514 365.5238 8.936096 366.0059 9.244461 366.4880 9.790886 366.9701 10.39732 367.4522 10.88805 367.9344 11.21372 368.4165 11.51437 368.8986 12.08667 369.3807 13.22620 369.8628 13.73905 370.3449 13.17725 370.8271 12.35797 371.3092 11.64369 371.7913 11.05640 372.2734 10.45449 372.7555 9.734131 373.2376 8.898232 373.7198 7.964844 374.2019 6.671486 374.6840 5.606651 375.1661 5.057304 375.6482 4.827461 376.1303 4.617432 376.6125 4.281921 377.0946 3.888039 377.5767 3.583160 378.0588 3.409416 378.5409 3.204048 379.0230 2.882515 379.5052 2.537476 379.9873 2.237198 380.4694 1.995148 380.9515 1.785042 381.4336 1.579086 381.9157 1.377380 382.3979 1.206467 382.8800 1.077171 383.3621 0.9731140 383.8442 0.9034880 384.3263 0.8515320 384.8084 0.7611540 385.2906 0.5056000 385.7727 0.2060850 386.2548 0.2136230 386.7369 0.6432270 387.2190 0.9605790 387.7011 0.6963350 388.1833 0.1717760 388.6654 0.1463090 389.1475 7.6018997E-02 389.6296 4.4464000E-02 390.1117 0.1502150 390.5938 0.6065520 391.0760 0.8864060 391.5581 0.7685620 392.0402 0.5069890 392.5223 0.4576870 393.0044 0.6281200 393.4865 0.8281710 393.9687 1.043671 394.4508 1.223915 394.9329 1.259361 395.4150 1.120789 395.8971 0.9697270 396.3792 0.9930880 396.8614 1.156754 397.3435 1.105751 397.8256 0.5717770 398.3077 3.7300002E-02 398.7898 8.4868997E-02 399.2719 8.6783998E-02 399.7540 8.3480999E-02 400.2361 0.3618620 400.7183 1.079926 401.2004 1.578163 401.6825 1.862228 402.1646 1.964668 402.6467 1.586197 403.1288 1.167900 403.6110 1.253029 404.0931 1.951912 404.5752 2.966202 405.0573 3.988945 405.5394 5.053352 406.0215 5.886620 406.5037 6.401108 406.9858 6.797836 407.4679 7.155319 407.9500 7.479256 408.4321 7.746811 408.9142 7.942780 409.3964 8.091507 409.8785 8.323227 410.3606 9.037430 410.8427 9.285255 411.3248 8.702095 411.8069 7.785378 412.2891 6.991394 412.7712 6.444550 413.2533 5.990730 413.7354 5.445595 414.2175 4.816147 414.6996 4.060555 415.1818 2.875069 415.6639 1.848900 416.1460 1.286392 416.6281 1.074928 417.1102 0.9426800 417.5923 0.7666090 418.0745 0.4969250 418.5566 0.1075210 419.0387 1.303108 419.5208 2.249443 420.0029 2.596443 420.4850 2.644333 420.9672 2.733383 421.4493 2.957710 421.9314 2.890648 422.4135 1.684540 422.8956 0.5578380 423.3777 1.702797 423.8599 1.038940 424.3420 0.2890850 424.8241 1.600807 425.3062 2.836494 425.7883 3.765251 426.2704 4.192436 426.7526 4.302292 427.2347 4.374130 427.7168 4.415222 428.1989 4.268272 428.6810 3.708656 429.1631 2.977005 429.6453 2.626724 430.1274 2.836418 430.6095 3.023270 431.0916 2.867775 431.5737 2.493179 432.0558 2.159286 432.5380 1.945541 433.0201 1.716812 433.5022 1.277054 433.9843 0.5812150 434.4664 8.7830000E-02 434.9485 2.8168000E-02 435.4307 5.1500001E-03 435.9128 0.2371370 436.3949 0.6707310 436.8770 1.269798 437.3591 2.029404 437.8412 2.905144 438.3234 3.707001 438.8055 4.153481 439.2876 4.898483 439.7697 6.086617 440.2518 7.532532 440.7339 9.078651 441.2160 10.67657 441.6982 12.36401 442.1803 14.17749 442.6624 16.13873 443.1445 18.08267 443.6266 19.95954 444.1087 21.87556 444.5909 23.78810 445.0730 25.77580 445.5551 28.00262 446.0372 30.54854 446.5193 33.28105 447.0014 35.84966 447.4836 38.06877 447.9657 40.66930 448.4478 44.05159 448.9299 47.67430 449.4120 51.23145 449.8941 54.71828 450.3763 58.32784 450.8584 62.15950 451.3405 66.22102 451.8226 70.45788 452.3047 74.86208 452.7868 79.42052 453.2690 84.13570 453.7511 89.00749 454.2332 94.07715 454.7153 99.38043 455.1974 104.7748 455.6795 110.2141 456.1617 115.6772 456.6438 121.1851 457.1259 126.7954 457.6080 132.3304 458.0901 137.6417 458.5722 142.7613 459.0544 147.4182 459.5365 151.5767 460.0186 155.2041 460.5007 158.2429 460.9828 160.7096 461.4649 162.7130 461.9471 164.3267 462.4292 165.5246 462.9113 166.2159 463.3934 166.3720 463.8755 166.1043 464.3576 165.2099 464.8398 164.0109 465.3219 162.8863 465.8040 161.8793 466.2861 160.6922 466.7682 158.9490 467.2503 156.5459 467.7325 154.4575 468.2146 152.9890 468.6967 151.5100 469.1788 149.7262 469.6609 147.8631 470.1430 146.3189 470.6252 145.2779 471.1073 144.4577 471.5894 143.3275 472.0715 141.7883 472.5536 140.3833 473.0357 139.1283 473.5179 138.1045 474.0000 137.5195 474.4821 137.2586 474.9642 136.8621 475.4463 135.9531 475.9284 134.7655 476.4106 133.7559 476.8927 132.8870 477.3748 132.1880 477.8569 131.7111 478.3390 131.4686 478.8211 131.3880 479.3033 131.4079 479.7854 131.7834 480.2675 132.6922 480.7496 134.0878 481.2317 135.8985 481.7138 138.1317 482.1959 140.5124 482.6780 142.6699 483.1602 144.6386 483.6423 147.4479 484.1244 151.8064 484.6065 156.2281 485.0886 159.7871 485.5707 163.0868 486.0529 167.0976 486.5350 172.2123 487.0171 178.3615 487.4992 185.4002 487.9813 193.6281 488.4634 202.0385 488.9456 209.9256 489.4277 218.6384 489.9098 228.7918 490.3919 240.2644 490.8740 252.5969 491.3561 265.4358 491.8383 279.0700 492.3204 294.2855 492.8025 311.1203 493.2846 329.3071 493.7667 348.4417 494.2488 369.0760 494.7310 391.5812 495.2131 415.9680 495.6952 442.3885 496.1773 470.6829 496.6594 500.9223 497.1415 533.2097 497.6237 567.3619 498.1058 603.8079 498.5879 641.6691 499.0700 681.5768 499.5521 723.7661 500.0342 768.7944 500.5164 815.0811 500.9985 862.7158 501.4806 911.1399 501.9627 959.7997 502.4448 1008.445 502.9269 1058.119 503.4091 1109.811 503.8912 1163.990 504.3733 1217.850 504.8554 1269.410 505.3375 1322.842 505.8196 1379.034 506.3018 1438.307 506.7839 1500.678 507.2660 1566.177 507.7481 1634.661 508.2302 1705.432 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