#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:01:33 +0300 (Thu, 26 Apr 2018) $ #$Revision: 609 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000148.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_1000148 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 'Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil' _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 R120127.rod _rod_data_source.block 3500000 _rod_database.code 1000148 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 109.0379 0.0000000E+00 109.5200 9.1003001E-02 110.0021 0.7614140 110.4842 6.821655 110.9664 10.18817 111.4485 8.335754 111.9306 5.970459 112.4127 5.147644 112.8948 6.259888 113.3769 8.411621 113.8591 10.42169 114.3412 12.20306 114.8233 13.92487 115.3054 16.32965 115.7875 18.51495 116.2696 19.09399 116.7517 17.28784 117.2339 14.40845 117.7160 14.31934 118.1981 18.36639 118.6802 21.81891 119.1623 23.29669 119.6444 23.20660 120.1266 22.68939 120.6087 22.06110 121.0908 21.85852 121.5729 22.72333 122.0550 24.36621 122.5371 26.28656 123.0193 28.59088 123.5014 30.92444 123.9835 31.71344 124.4656 30.61322 124.9477 28.96985 125.4298 27.06470 125.9120 24.93414 126.3941 22.85217 126.8762 21.40863 127.3583 21.11340 127.8404 20.52649 128.3225 19.11890 128.8047 17.23938 129.2868 15.31635 129.7689 13.63818 130.2510 12.17578 130.7331 10.46631 131.2152 8.090210 131.6974 5.828369 132.1795 3.742371 132.6616 1.918091 133.1437 0.5198360 133.6258 0.2885740 134.1079 0.4094850 134.5901 0.5549320 135.0722 0.6063840 135.5543 0.7099610 136.0364 1.066040 136.5185 1.648193 137.0006 2.102600 137.4828 2.164185 137.9649 1.929565 138.4470 0.8013920 138.9291 2.130798 139.4112 5.573059 139.8933 7.972534 140.3755 8.845154 140.8576 9.250732 141.3397 10.72614 141.8218 13.21649 142.3039 15.50000 142.7860 17.08722 143.2681 18.06927 143.7503 18.64740 144.2324 18.53278 144.7145 18.37787 145.1966 18.69958 145.6787 19.46582 146.1608 20.55505 146.6430 22.11945 147.1251 24.23962 147.6072 25.93744 148.0893 26.56531 148.5714 26.93884 149.0535 27.45465 149.5357 28.21124 150.0178 29.14685 150.4999 30.17297 150.9820 31.24042 151.4641 32.45892 151.9462 34.24615 152.4284 35.94385 152.9105 36.85046 153.3926 36.77362 153.8747 36.23260 154.3568 36.42273 154.8389 37.88232 155.3211 39.54596 155.8032 41.88141 156.2853 44.23822 156.7674 45.71362 157.2495 45.81244 157.7316 44.93414 158.2138 44.78955 158.6959 46.89185 159.1780 47.94928 159.6601 46.60779 160.1422 43.62378 160.6243 40.70770 161.1065 39.21875 161.5886 39.30023 162.0707 39.63104 162.5528 39.60126 163.0349 39.22211 163.5170 38.29529 163.9991 36.26526 164.4813 34.03760 164.9634 32.39154 165.4455 31.43384 165.9276 30.75714 166.4097 30.53766 166.8918 30.52161 167.3740 29.56476 167.8561 27.42682 168.3382 25.60284 168.8203 25.41486 169.3024 25.97858 169.7845 26.26666 170.2667 25.76178 170.7488 24.82001 171.2309 24.19275 171.7130 23.73578 172.1951 23.94995 172.6772 25.51312 173.1594 27.65814 173.6415 29.25372 174.1236 29.52753 174.6057 28.72699 175.0878 28.36627 175.5699 29.00299 176.0521 29.48389 176.5342 29.48718 177.0163 29.12427 177.4984 28.61603 177.9805 28.09387 178.4626 27.55298 178.9448 27.11725 179.4269 27.14563 179.9090 26.92206 180.3911 25.85400 180.8732 24.28119 181.3553 23.13818 181.8375 23.33441 182.3196 25.11639 182.8017 25.77478 183.2838 24.66125 183.7659 23.26898 184.2480 22.20734 184.7301 21.53595 185.2123 21.07843 185.6944 20.67102 186.1765 20.31012 186.6586 20.19299 187.1407 20.55591 187.6228 20.99255 188.1050 21.20038 188.5871 21.14648 189.0692 20.98242 189.5513 20.81421 190.0334 20.64954 190.5155 20.59375 190.9977 20.46936 191.4798 20.54370 191.9619 21.41119 192.4440 23.30756 192.9261 25.09106 193.4082 25.31708 193.8904 24.42139 194.3725 23.66754 194.8546 23.14185 195.3367 23.09375 195.8188 24.14954 196.3009 26.80414 196.7831 29.84698 197.2652 32.54376 197.7473 34.84235 198.2294 36.51178 198.7115 37.12402 199.1936 36.94629 199.6758 37.08722 200.1579 37.62842 200.6400 38.42334 201.1221 39.47998 201.6042 40.69843 202.0863 41.83588 202.5685 42.65155 203.0506 43.17590 203.5327 43.94476 204.0148 45.42786 204.4969 46.65875 204.9790 47.57660 205.4612 47.99048 205.9433 47.49353 206.4254 45.49689 206.9075 41.88293 207.3896 39.07153 207.8717 38.78949 208.3539 37.75195 208.8360 34.43146 209.3181 29.34662 209.8002 24.07159 210.2823 20.04022 210.7644 17.47803 211.2466 14.41248 211.7287 10.39569 212.2108 6.361694 212.6929 2.499390 213.1750 1.082153 213.6571 4.343018 214.1393 7.297668 214.6214 10.05219 215.1035 11.56580 215.5856 10.82904 216.0677 10.04456 216.5498 10.61591 217.0320 12.32831 217.5141 13.82739 217.9962 13.81799 218.4783 12.06927 218.9604 10.60931 219.4425 9.271729 219.9247 8.317139 220.4068 8.127747 220.8889 8.613403 221.3710 9.124878 221.8531 9.144226 222.3352 8.616516 222.8174 7.829895 223.2995 6.366882 223.7816 4.944336 224.2637 4.293091 224.7458 4.401550 225.2279 4.380371 225.7100 3.400757 226.1922 1.573730 226.6743 2.1118000E-02 227.1564 0.7673340 227.6385 1.522827 228.1206 2.993164 228.6027 5.226379 229.0849 7.604065 229.5670 9.934326 230.0491 12.04712 230.5312 13.47174 231.0133 13.24219 231.4954 12.76947 231.9776 13.69763 232.4597 16.14575 232.9418 19.13617 233.4239 22.76300 233.9060 26.41919 234.3881 28.98804 234.8703 29.30157 235.3524 29.15381 235.8345 31.29535 236.3166 36.30304 236.7987 41.25031 237.2808 44.58728 237.7630 47.04694 238.2451 49.28369 238.7272 51.32971 239.2093 53.48132 239.6914 56.29852 240.1735 60.02209 240.6557 63.70239 241.1378 67.34027 241.6199 70.60406 242.1020 73.07874 242.5841 74.56213 243.0662 75.37225 243.5484 75.82654 244.0305 75.49677 244.5126 76.03552 244.9947 78.82605 245.4768 82.13617 245.9589 84.45203 246.4410 85.24164 246.9232 85.17029 247.4053 85.30493 247.8874 85.59100 248.3695 86.25305 248.8516 87.79242 249.3337 89.39941 249.8159 90.49963 250.2980 90.91351 250.7801 90.76190 251.2622 90.12976 251.7443 88.63000 252.2264 87.52911 252.7086 86.94739 253.1907 86.72589 253.6728 87.00226 254.1549 87.72437 254.6370 88.35626 255.1191 87.81384 255.6013 84.67688 256.0834 83.53235 256.5655 85.54889 257.0476 88.39227 257.5297 90.87329 258.0118 92.61755 258.4940 93.61969 258.9761 93.72998 259.4582 92.25696 259.9403 91.67102 260.4224 91.48755 260.9045 92.32574 261.3867 95.11194 261.8688 99.63074 262.3509 104.4342 262.8330 107.8483 263.3151 109.4091 263.7972 111.1988 264.2794 113.2821 264.7615 115.4856 265.2436 117.2295 265.7257 118.7961 266.2078 121.3664 266.6899 126.2687 267.1721 133.9941 267.6542 140.8900 268.1363 146.7437 268.6184 152.1417 269.1005 157.1118 269.5826 161.7973 270.0648 166.4819 270.5469 171.2994 271.0290 176.1043 271.5111 181.4135 271.9932 187.3749 272.4753 193.5586 272.9575 200.0365 273.4396 206.8128 273.9217 213.5020 274.4038 219.6845 274.8859 225.3913 275.3680 231.8022 275.8501 239.1183 276.3322 247.0232 276.8144 255.4656 277.2965 264.4059 277.7786 273.9231 278.2607 284.2220 278.7428 294.7722 279.2249 303.4084 279.7071 307.7296 280.1892 313.4633 280.6713 323.8750 281.1534 336.5094 281.6355 346.5823 282.1176 351.7012 282.5998 353.9461 283.0819 358.7241 283.5640 367.3732 284.0461 375.8324 284.5282 383.0878 285.0103 389.5945 285.4925 395.9947 285.9746 402.4815 286.4567 409.1613 286.9388 416.3649 287.4209 424.2532 287.9030 431.9779 288.3852 439.6336 288.8673 446.9250 289.3494 453.0612 289.8315 457.8082 290.3136 462.5901 290.7957 469.5501 291.2779 479.0766 291.7600 487.4530 292.2421 493.5052 292.7242 498.7004 293.2063 504.5441 293.6884 511.2430 294.1706 517.8338 294.6527 523.4356 295.1348 527.9913 295.6169 532.3741 296.0990 536.6299 296.5811 540.7089 297.0633 544.7141 297.5454 548.5915 298.0275 551.9501 298.5096 554.4589 298.9917 556.1401 299.4738 557.6263 299.9560 559.1696 300.4381 560.2946 300.9202 560.9205 301.4023 560.9570 301.8844 560.0037 302.3665 557.7287 302.8487 554.3301 303.3308 550.6088 303.8129 546.9108 304.2950 542.3870 304.7771 536.6217 305.2592 529.7356 305.7414 521.9800 306.2235 513.3845 306.7056 504.0864 307.1877 494.3867 307.6698 484.3474 308.1519 473.9042 308.6341 463.3383 309.1162 452.3185 309.5983 440.2271 310.0804 426.8428 310.5625 412.8667 311.0446 399.2814 311.5268 386.0403 312.0089 372.8975 312.4910 359.4556 312.9731 346.2600 313.4552 334.0778 313.9373 323.0889 314.4195 312.1839 314.9016 300.0278 315.3837 286.7411 315.8658 274.5817 316.3479 264.2785 316.8300 254.7604 317.3121 244.9654 317.7943 234.9329 318.2764 225.8557 318.7585 218.4873 319.2406 212.8317 319.7227 207.9782 320.2048 204.2890 320.6870 200.8970 321.1691 197.1182 321.6512 193.2403 322.1333 190.1420 322.6154 188.3115 323.0975 187.4487 323.5797 186.8260 324.0618 186.2592 324.5439 186.2526 325.0260 186.9836 325.5081 188.3976 325.9902 190.2482 326.4724 192.3668 326.9545 195.3541 327.4366 200.4615 327.9187 207.9086 328.4008 215.5060 328.8829 222.6369 329.3651 229.8013 329.8472 237.7064 330.3293 246.4423 330.8114 255.2225 331.2935 263.1534 331.7756 270.1555 332.2578 278.1269 332.7399 288.0071 333.2220 298.1462 333.7041 307.5425 334.1862 316.1094 334.6683 324.2083 335.1505 332.2020 335.6326 339.8442 336.1147 345.6535 336.5968 348.8068 337.0789 351.1715 337.5610 354.1321 338.0432 357.0192 338.5253 358.0568 339.0074 356.3410 339.4895 352.4722 339.9716 347.9245 340.4537 343.0005 340.9359 337.1799 341.4180 330.1013 341.9001 321.9917 342.3822 313.1143 342.8643 303.6093 343.3464 293.8588 343.8286 284.4549 344.3107 275.7441 344.7928 266.3612 345.2749 255.8409 345.7570 244.9495 346.2391 234.0591 346.7213 223.4001 347.2034 213.2655 347.6855 204.1827 348.1676 196.1817 348.6497 187.2008 349.1318 176.0543 349.6140 165.3156 350.0961 156.3377 350.5782 148.7303 351.0603 141.3312 351.5424 133.4634 352.0245 125.4192 352.5067 118.3939 352.9888 113.6919 353.4709 108.4314 353.9530 101.5009 354.4351 94.12845 354.9172 87.69266 355.3994 82.68835 355.8815 78.69870 356.3636 75.02707 356.8457 72.04633 357.3278 68.57648 357.8099 64.14215 358.2920 59.62131 358.7741 55.50330 359.2563 51.88263 359.7384 48.81317 360.2205 46.41293 360.7026 44.80130 361.1847 42.68033 361.6668 39.83765 362.1490 36.75323 362.6311 33.31699 363.1132 29.75955 363.5953 26.55801 364.0774 24.00912 364.5595 21.98355 365.0417 19.92532 365.5238 17.73712 366.0059 15.64798 366.4880 13.49387 366.9701 11.54587 367.4522 10.19608 367.9344 9.542145 368.4165 9.120331 368.8986 8.171509 369.3807 6.455872 369.8628 4.868896 370.3449 3.281342 370.8271 1.942047 371.3092 1.105621 371.7913 0.6924130 372.2734 0.2877500 372.7555 0.5244750 373.2376 1.717468 373.7198 2.538300 374.2019 2.489136 374.6840 2.676056 375.1661 3.722534 375.6482 5.169983 376.1303 6.336578 376.6125 6.939575 377.0946 7.016785 377.5767 6.552246 378.0588 5.299713 378.5409 4.203186 379.0230 3.679199 379.5052 3.320038 379.9873 2.778961 380.4694 1.989929 380.9515 1.235016 381.4336 0.7865600 381.9157 0.6442870 382.3979 0.6441040 382.8800 0.7342530 383.3621 1.029327 383.8442 1.685333 384.3263 2.605804 384.8084 3.489502 385.2906 4.168121 385.7727 4.681671 386.2548 5.166962 386.7369 5.672180 387.2190 5.958221 387.7011 5.718231 388.1833 5.214630 388.6654 4.804474 389.1475 4.564331 389.6296 4.394867 390.1117 4.176422 390.5938 3.930145 391.0760 3.832275 391.5581 4.019440 392.0402 4.280029 392.5223 4.408691 393.0044 4.439117 393.4865 4.098816 393.9687 2.918823 394.4508 1.413422 394.9329 0.4216000 395.4150 8.5083000E-02 395.8971 7.3850001E-03 396.3792 0.1461490 396.8614 0.3470460 397.3435 0.3469850 397.8256 0.4673460 398.3077 0.9703060 398.7898 0.1198120 399.2719 1.745148 399.7540 3.415924 400.2361 4.329773 400.7183 4.604370 401.2004 4.481934 401.6825 3.400970 402.1646 2.934387 402.6467 3.984528 403.1288 5.526459 403.6110 6.236725 404.0931 5.861542 404.5752 5.333862 405.0573 5.812408 405.5394 7.633240 406.0215 8.849365 406.5037 9.049438 406.9858 9.066467 407.4679 9.215027 407.9500 9.572327 408.4321 10.23889 408.9142 11.31277 409.3964 12.57242 409.8785 13.11835 410.3606 12.11804 410.8427 11.56750 411.3248 11.85046 411.8069 12.54443 412.2891 13.18976 412.7712 13.65195 413.2533 14.15744 413.7354 15.14343 414.2175 16.88519 414.6996 18.26224 415.1818 18.95831 415.6639 19.60330 416.1460 20.36163 416.6281 21.21295 417.1102 22.09085 417.5923 22.92661 418.0745 23.79150 418.5566 24.95212 419.0387 26.55908 419.5208 28.12378 420.0029 29.85114 420.4850 31.18411 420.9672 31.42059 421.4493 30.44305 421.9314 29.35086 422.4135 29.17419 422.8956 29.82980 423.3777 30.69809 423.8599 31.91013 424.3420 33.08801 424.8241 34.00323 425.3062 34.64850 425.7883 35.01163 426.2704 34.81863 426.7526 34.50345 427.2347 34.83441 427.7168 35.86417 428.1989 36.66547 428.6810 36.54984 429.1631 35.98627 429.6453 36.07169 430.1274 37.12976 430.6095 38.09677 431.0916 38.55408 431.5737 38.52026 432.0558 37.75296 432.5380 36.04858 433.0201 34.57516 433.5022 34.95923 433.9843 37.55856 434.4664 39.12906 434.9485 38.81525 435.4307 38.14499 435.9128 38.15283 436.3949 38.70901 436.8770 39.15213 437.3591 39.08975 437.8412 38.67053 438.3234 38.44852 438.8055 38.36090 439.2876 38.54315 439.7697 39.25970 440.2518 40.09409 440.7339 40.57831 441.2160 40.65381 441.6982 40.71011 442.1803 41.27933 442.6624 42.53275 443.1445 43.02835 443.6266 42.30927 444.1087 41.30573 444.5909 39.78494 445.0730 38.28253 445.5551 37.79788 446.0372 38.96857 446.5193 40.81723 447.0014 40.99561 447.4836 38.76901 447.9657 37.05121 448.4478 36.58801 448.9299 36.64075 449.4120 36.98322 449.8941 37.49353 450.3763 37.78271 450.8584 37.51990 451.3405 36.80664 451.8226 35.99838 452.3047 35.08112 452.7868 34.16202 453.2690 33.28613 453.7511 32.39951 454.2332 31.46771 454.7153 30.54901 455.1974 29.45380 455.6795 27.93253 456.1617 26.06332 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