#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:04 +0300 (Thu, 24 May 2018) $ #$Revision: 840 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000327.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_1000327 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 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 R120127.rod _rod_data_source.block 3500000 _rod_database.code 1000327 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 197.8379 0.0000000E+00 198.3200 6.2286001E-02 198.8021 0.2686770 199.2842 1.498016 199.7664 3.760345 200.2485 5.484192 200.7306 6.191864 201.2127 6.067932 201.6948 6.272339 202.1769 6.937042 202.6591 7.843567 203.1412 8.826569 203.6233 9.983643 204.1054 10.58444 204.5875 10.03912 205.0696 8.690948 205.5518 8.740814 206.0339 10.40726 206.5160 12.52869 206.9981 14.24619 207.4802 15.88757 207.9623 16.32739 208.4445 16.18024 208.9266 16.36047 209.4087 16.32071 209.8908 15.67450 210.3729 14.35944 210.8550 12.89432 211.3372 12.53735 211.8193 12.33963 212.3014 11.29245 212.7835 9.006744 213.2656 7.183228 213.7477 5.876984 214.2299 4.976166 214.7120 4.251038 215.1941 3.766235 215.6762 3.233398 216.1583 2.457092 216.6404 1.392029 217.1226 0.9991760 217.6047 1.642975 218.0868 2.517731 218.5689 2.604370 219.0510 1.569366 219.5331 0.5359190 220.0153 0.2319640 220.4974 0.7146910 220.9795 1.140930 221.4616 1.574341 221.9437 1.875916 222.4258 1.797699 222.9080 1.042389 223.3901 0.5375370 223.8722 0.5864870 224.3543 1.253937 224.8364 1.909790 225.3185 2.680389 225.8007 3.331482 226.2828 3.536530 226.7649 3.111328 227.2470 2.634796 227.7291 2.317657 228.2112 2.217834 228.6934 1.838715 229.1755 1.117371 229.6576 0.1831970 230.1397 0.8174740 230.6218 2.029694 231.1039 3.072235 231.5861 3.807434 232.0682 4.204803 232.5503 4.625732 233.0324 4.968903 233.5145 5.435120 233.9966 6.270691 234.4788 7.454681 234.9609 9.073364 235.4430 11.36664 235.9251 14.55356 236.4072 16.83206 236.8893 17.71390 237.3715 18.09097 237.8536 19.06610 238.3357 20.90302 238.8178 22.88715 239.2999 24.95609 239.7820 27.16663 240.2642 28.81351 240.7463 29.54626 241.2284 29.99051 241.7105 30.95142 242.1926 32.78149 242.6747 34.46506 243.1569 35.73160 243.6390 36.54202 244.1211 37.26169 244.6032 37.93329 245.0853 38.48251 245.5674 38.78308 246.0496 38.61841 246.5317 38.62866 247.0138 39.06219 247.4959 39.99634 247.9780 40.54092 248.4601 40.56931 248.9423 40.36087 249.4244 40.22278 249.9065 40.23227 250.3886 40.17703 250.8707 39.93661 251.3528 39.49377 251.8350 39.44272 252.3171 40.02945 252.7992 40.74026 253.2813 41.01355 253.7634 40.60257 254.2455 40.26697 254.7277 40.14062 255.2098 40.21893 255.6919 40.47830 256.1740 40.93863 256.6561 41.41452 257.1382 41.64554 257.6204 41.33316 258.1025 41.51486 258.5846 42.58228 259.0667 44.47443 259.5488 45.77499 260.0309 46.26654 260.5131 46.45966 260.9952 46.71332 261.4773 46.90048 261.9594 47.55307 262.4415 48.92850 262.9236 50.93924 263.4058 52.45361 263.8879 53.19531 264.3700 53.94290 264.8521 55.41626 265.3342 57.86383 265.8163 60.13391 266.2985 61.90027 266.7806 63.31543 267.2627 65.36307 267.7448 68.15384 268.2269 71.31458 268.7090 74.64981 269.1912 78.27576 269.6733 81.63895 270.1554 84.51898 270.6375 87.11694 271.1196 90.19327 271.6017 93.84454 272.0839 97.70242 272.5660 101.4175 273.0481 104.9617 273.5302 108.6823 274.0123 112.6170 274.4944 116.7545 274.9766 121.1531 275.4587 125.8169 275.9408 130.9492 276.4229 136.7776 276.9050 143.4001 277.3871 149.3559 277.8693 154.4497 278.3514 158.9656 278.8335 163.2668 279.3156 167.2733 279.7977 171.7900 280.2798 177.7855 280.7620 185.2661 281.2441 191.3733 281.7262 195.6047 282.2083 198.9286 282.6904 203.1080 283.1725 208.1799 283.6547 213.3544 284.1368 218.3597 284.6189 223.1899 285.1010 227.8755 285.5831 232.4036 286.0652 236.7593 286.5474 240.9719 287.0295 245.0449 287.5116 248.8722 287.9937 252.1027 288.4758 254.9592 288.9579 258.6276 289.4401 263.2285 289.9222 268.1818 290.4043 273.1217 290.8864 277.9644 291.3685 281.9994 291.8506 284.4731 292.3328 285.9832 292.8149 288.2142 293.2970 291.2025 293.7791 294.5309 294.2612 297.8521 294.7433 301.1603 295.2255 304.3980 295.7076 307.5509 296.1897 310.5994 296.6718 313.6597 297.1539 316.7068 297.6360 319.0897 298.1182 319.7557 298.6003 319.2932 299.0824 319.2366 299.5645 320.2888 300.0466 321.6223 300.5287 322.1637 301.0109 321.9482 301.4930 321.1966 301.9751 319.8164 302.4572 318.0570 302.9393 316.4709 303.4214 315.4215 303.9036 314.0925 304.3857 311.6024 304.8678 308.0962 305.3499 304.0033 305.8320 299.2831 306.3141 294.2735 306.7963 289.6292 307.2784 285.6787 307.7605 281.2695 308.2426 274.9809 308.7247 267.4317 309.2068 260.1136 309.6890 254.2887 310.1711 248.7065 310.6532 242.3048 311.1353 234.8777 311.6174 227.1593 312.0995 219.1817 312.5817 211.3730 313.0638 204.3089 313.5459 198.7467 314.0280 193.5356 314.5101 187.9869 314.9922 182.0721 315.4744 176.0605 315.9565 169.7843 316.4386 163.6057 316.9207 158.0449 317.4028 153.9220 317.8849 149.8640 318.3671 145.1570 318.8492 139.8374 319.3313 134.9716 319.8134 130.7216 320.2955 127.2195 320.7776 124.5990 321.2598 123.3280 321.7419 122.4547 322.2240 121.7492 322.7061 121.2341 323.1882 121.0719 323.6703 120.8712 324.1525 121.3196 324.6346 122.8310 325.1167 126.3189 325.5988 129.6481 326.0809 132.4608 326.5630 134.9839 327.0452 137.8165 327.5273 140.6259 328.0094 144.0214 328.4915 148.3010 328.9736 153.8748 329.4557 159.3215 329.9379 164.7062 330.4200 169.9938 330.9021 174.9645 331.3842 178.7594 331.8663 183.3744 332.3484 189.7950 332.8306 198.4415 333.3127 205.6209 333.7948 210.7181 334.2769 214.7993 334.7590 219.0536 335.2411 223.7459 335.7233 228.2894 336.2054 232.6040 336.6875 236.7087 337.1696 240.4331 337.6517 243.9728 338.1339 246.6848 338.6160 247.9940 339.0981 247.8063 339.5802 246.8418 340.0623 245.1011 340.5444 242.6408 341.0266 240.0491 341.5087 237.4479 341.9908 233.9045 342.4729 228.5318 342.9550 221.3851 343.4371 214.0268 343.9193 206.5473 344.4014 199.0782 344.8835 192.1631 345.3656 185.8005 345.8477 179.3286 346.3298 172.5436 346.8120 165.3714 347.2941 157.5823 347.7762 148.9578 348.2583 140.5008 348.7404 133.5250 349.2225 127.7729 349.7047 122.1392 350.1868 116.1192 350.6689 110.0216 351.1510 104.2812 351.6331 98.91537 352.1152 93.76053 352.5974 88.58389 353.0795 83.53571 353.5616 78.92770 354.0437 75.02386 354.5258 71.38696 355.0079 67.54962 355.4901 63.56223 355.9722 59.56491 356.4543 55.43723 356.9364 51.45395 357.4185 47.81961 357.9006 44.56198 358.3828 41.71973 358.8649 39.56766 359.3470 37.81903 359.8291 35.87152 360.3112 33.16599 360.7933 30.41074 361.2755 28.00958 361.7576 26.03632 362.2397 24.13409 362.7218 21.98459 363.2039 19.88986 363.6860 18.19019 364.1682 17.52338 364.6503 16.70712 365.1324 15.26361 365.6145 13.21030 366.0966 11.42899 366.5787 10.12646 367.0609 9.083862 367.5430 8.170929 368.0251 7.770569 368.5072 7.030090 368.9893 5.661499 369.4714 3.890472 369.9536 2.496552 370.4357 1.567230 370.9178 0.9151000 371.3999 0.5451970 371.8820 0.6954350 372.3641 0.4146420 372.8463 0.8779300 373.3284 2.217468 373.8105 1.790405 374.2926 1.716339 374.7747 3.951782 375.2568 3.083038 375.7390 0.9440920 376.2211 2.616211 376.7032 1.194244 377.1853 0.9693910 377.6674 1.517944 378.1495 0.2535100 378.6317 0.9255070 379.1138 1.698181 379.5959 2.129333 380.0780 2.413666 380.5601 2.530426 381.0422 2.629791 381.5244 2.855774 382.0065 3.178711 382.4886 3.344635 382.9707 3.288757 383.4528 3.174713 383.9349 3.326630 384.4171 3.686371 384.8992 3.918488 385.3813 3.825256 385.8634 3.509247 386.3455 3.093964 386.8276 2.590393 387.3098 2.194427 387.7919 2.217560 388.2740 2.447754 388.7561 2.506409 389.2382 2.103699 389.7203 1.680359 390.2025 1.771606 390.6846 2.230988 391.1667 2.393738 391.6488 1.408051 392.1309 0.2233580 392.6130 0.3232120 393.0952 0.1516720 393.5773 0.7580870 394.0594 1.312012 394.5415 1.740997 395.0236 1.882019 395.5057 1.354340 395.9879 0.8019100 396.4700 0.5411990 396.9521 0.6636050 397.4342 0.5955810 397.9163 0.2017210 398.3984 0.3925780 398.8806 1.081635 399.3627 2.291046 399.8448 3.111938 400.3269 3.211304 400.8090 2.707397 401.2911 2.596954 401.7733 3.177643 402.2554 3.814026 402.7375 4.143921 403.2196 3.960968 403.7017 3.994965 404.1838 4.340393 404.6660 4.837891 405.1481 5.192780 405.6302 5.371704 406.1123 5.608429 406.5944 5.949554 407.0765 6.382141 407.5587 6.611877 408.0408 6.597351 408.5229 6.718323 409.0050 7.449158 409.4871 8.731293 409.9692 9.890961 410.4514 10.88544 410.9335 11.63937 411.4156 11.84457 411.8977 11.53954 412.3798 11.28380 412.8619 11.46629 413.3441 11.95712 413.8262 12.55916 414.3083 13.28065 414.7904 13.93082 415.2725 14.27122 415.7546 14.41812 416.2368 14.56088 416.7189 14.86101 417.2010 15.11809 417.6831 15.15152 418.1652 14.99240 418.6473 14.85580 419.1295 14.75264 419.6116 14.77464 420.0937 15.00005 420.5758 15.51978 421.0579 16.15269 421.5400 17.09061 422.0222 18.11687 422.5043 18.69669 422.9864 17.96762 423.4685 17.40820 423.9506 17.73590 424.4327 19.43977 424.9149 20.55385 425.3970 20.85191 425.8791 20.64217 426.3612 20.18140 426.8433 19.17897 427.3254 18.39598 427.8076 17.99564 428.2897 17.91937 428.7718 17.78532 429.2539 17.51788 429.7360 17.34308 430.2181 17.41241 430.7003 17.73662 431.1824 18.16663 431.6645 18.85147 432.1466 19.50990 432.6287 19.45042 433.1108 18.66174 433.5930 17.97379 434.0751 17.70067 434.5572 17.83377 435.0393 18.09021 435.5214 18.45340 436.0035 18.78986 436.4857 18.98215 436.9678 19.03395 437.4499 18.91759 437.9320 18.50356 438.4141 18.17989 438.8962 18.57436 439.3784 19.43446 439.8605 20.03249 440.3426 19.54004 440.8247 18.91624 441.3068 19.20911 441.7889 20.59712 442.2711 21.45705 442.7532 20.34744 443.2353 18.57240 443.7174 17.47998 444.1995 18.31467 444.6816 18.97855 445.1638 18.48148 445.6459 17.15941 446.1280 16.64505 446.6101 18.17883 447.0922 19.78673 447.5743 20.58391 448.0565 20.19554 448.5386 19.79543 449.0207 19.62173 449.5028 19.39017 449.9849 18.50946 450.4670 16.27655 450.9492 14.83136 451.4313 14.96960 451.9134 16.38350 452.3955 16.75873 452.8776 15.92781 453.3597 14.75226 453.8419 13.67297 454.3240 12.68394 454.8061 12.00386 455.2882 11.77081 455.7703 11.61955 456.2524 10.83786 456.7346 9.529282 457.2167 8.469437 457.6988 8.154755 458.1809 8.159103 458.6630 7.703430 459.1451 6.810654 459.6273 5.863998 460.1094 5.088486 460.5915 4.449295 461.0736 3.945145 461.5557 3.690598 462.0378 3.309937 462.5200 2.279785 463.0021 0.9640350 463.4842 9.0636998E-02 463.9663 0.4808810 464.4484 0.9127200 464.9305 0.7019200 465.4127 0.2323300 465.8948 0.9288480 466.3769 0.8646240 466.8590 0.6775670 467.3411 0.8306120 467.8232 1.797668 468.3054 2.526337 468.7875 2.954788 469.2696 3.133118 469.7517 3.163788 470.2338 3.025375 470.7159 2.776047 471.1981 2.368042 471.6802 1.784866 472.1623 1.541092 472.6444 1.780884 473.1265 1.992371 473.6086 1.529282 474.0908 0.4085850 474.5729 0.3975370 475.0550 0.6680450 475.5371 0.6049350 476.0192 0.4581450 476.5013 0.2590940 476.9835 0.2504430 477.4656 0.7873540 477.9477 1.527496 478.4298 1.802643 478.9119 1.569656 479.3940 1.459244 479.8762 2.016144 480.3583 2.975067 480.8404 3.991165 481.3225 5.020309 481.8046 6.036163 482.2867 7.038361 482.7689 8.022720 483.2510 8.983017 483.7331 9.756561 484.2152 10.65398 484.6973 11.84570 485.1794 13.41217 485.6616 14.96184 486.1437 16.25412 486.6258 17.64746 487.1079 19.46140 487.5900 22.04007 488.0721 24.41629 488.5543 26.25961 489.0364 27.91701 489.5185 30.41066 490.0006 33.84695 490.4827 37.67487 490.9648 41.55846 491.4470 45.53375 491.9291 50.13081 492.4112 55.39191 492.8933 60.97073 493.3754 66.44339 493.8575 71.91620 494.3397 77.74011 494.8218 83.86624 495.3039 90.51343 495.7860 97.76511 496.2681 105.6767 496.7502 114.3947 497.2324 124.5702 497.7145 135.3388 498.1966 145.5840 498.6787 155.3356 499.1608 166.1177 499.6429 179.2815 500.1251 193.6087 500.6072 208.3744 501.0893 223.1101 501.5714 238.4079 502.0535 254.6287 502.5356 271.5745 503.0178 288.8754 503.4999 306.7538 503.9820 325.0422 504.4641 343.4378 504.9462 361.9030 505.4283 381.5964 505.9105 403.1785 506.3926 424.7668 506.8747 444.6632 507.3568 462.4100 507.8389 481.5039 508.3210 502.5160 508.8032 523.9205 509.2853 543.3874 509.7674 560.9001 510.2495 575.9329 510.7316 587.9507 511.2137 597.5997 511.6959 607.1607 512.1780 616.3234 512.6601 622.3087 513.1422 622.4261 513.6243 618.3907 514.1064 612.2437 514.5886 604.2422 515.0707 594.4903 515.5528 582.6140 516.0349 569.2066 516.5170 554.9279 516.9991 539.7800 517.4813 524.0323 517.9634 507.5476 518.4455 490.4341 518.9276 473.4062 519.4097 456.4361 519.8918 439.8052 520.3740 423.7317 520.8561 407.9666 521.3382 393.2229 521.8203 379.7141 522.3024 367.0976 522.7845 354.5793 523.2667 341.8578 523.7488 330.6713 524.2309 321.8414 524.7130 314.5305 525.1951 306.3668 525.6772 297.2992 526.1594 288.6847 526.6415 281.4532 527.1236 275.1401 527.6057 268.7375 528.0878 262.2538 528.5699 256.0756 529.0521 250.4891 529.5342 245.4866 530.0163 241.0448 530.4984 237.1953 530.9805 233.8212 531.4626 231.2316 531.9448 229.1869 532.4269 227.0939 532.9090 224.3023 533.3911 221.7409 533.8732 219.8841 534.3553 218.7779 534.8375 217.1873 535.3196 214.5204 535.8017 211.9436 536.2838 210.1610 536.7659 209.5536 537.2480 208.5626 537.7302 207.0410 538.2123 205.3544 538.6944 204.1531 539.1765 203.4871 539.6586 202.5087 540.1407 200.9129 540.6229 198.9182 541.1050 196.9236 541.5871 194.9699 542.0692 193.4059 542.5513 193.0749 543.0334 193.0383 543.5156 191.6819 543.9977 188.8643 544.4798 185.9189 544.9619 183.7870 545.4440 182.0503 545.9261 180.2693 546.4083 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