#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:08:35 +0300 (Thu, 24 May 2018) $ #$Revision: 876 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000357.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_1000357 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 3' _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 R120140.rod _rod_data_source.block 3500000 _rod_database.code 1000357 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 150.1083 0.0000000E+00 150.5905 0.2139360 151.0726 0.5530280 151.5547 1.671993 152.0368 2.769114 152.5189 3.538813 153.0010 3.584789 153.4832 3.901918 153.9653 4.863304 154.4474 5.853500 154.9295 6.480110 155.4116 6.826960 155.8937 7.171452 156.3759 7.332314 156.8580 7.817953 157.3401 8.950535 157.8222 9.817461 158.3043 9.611559 158.7864 8.999180 159.2686 7.877748 159.7507 6.624996 160.2328 5.431622 160.7149 4.237846 161.1970 3.189074 161.6791 2.416615 162.1613 1.871624 162.6434 1.281212 163.1255 0.3640100 163.6076 0.5810470 164.0897 1.287605 164.5718 1.665257 165.0540 1.788597 165.5361 1.582710 166.0182 1.057884 166.5003 0.5868490 166.9824 0.6405370 167.4645 0.7736020 167.9467 0.4544910 168.4288 0.7773510 168.9109 2.366703 169.3930 3.879642 169.8751 5.301025 170.3572 6.959881 170.8394 9.215763 171.3215 11.88928 171.8036 14.62138 172.2857 17.27119 172.7678 19.93295 173.2499 22.78396 173.7321 25.91118 174.2142 28.86077 174.6963 31.25861 175.1784 33.25451 175.6605 35.21590 176.1426 37.35285 176.6248 39.53046 177.1069 41.55871 177.5890 43.43427 178.0711 45.15228 178.5532 46.56364 179.0353 47.78788 179.5175 49.15760 179.9996 51.01115 180.4817 53.12836 180.9638 55.13258 181.4459 56.96904 181.9280 58.73046 182.4102 60.50573 182.8923 62.28061 183.3744 64.29533 183.8565 66.69475 184.3386 69.44131 184.8207 72.38424 185.3029 75.65351 185.7850 78.90115 186.2671 81.45483 186.7492 83.33950 187.2313 85.38139 187.7134 88.10548 188.1956 91.48479 188.6777 95.26959 189.1598 99.60560 189.6419 104.1841 190.1240 108.4674 190.6061 112.5243 191.0883 116.1716 191.5704 119.1975 192.0525 121.6876 192.5346 124.1368 193.0167 126.6082 193.4988 128.9525 193.9810 130.4175 194.4631 130.8029 194.9452 131.0432 195.4273 130.6005 195.9094 129.5015 196.3915 129.5744 196.8737 131.6242 197.3558 134.8794 197.8379 136.9103 198.3200 137.8090 198.8021 137.2269 199.2842 134.2248 199.7664 128.6530 200.2485 123.9253 200.7306 120.8565 201.2127 119.1656 201.6948 117.2095 202.1769 114.8562 202.6591 112.6487 203.1412 111.2589 203.6233 110.8144 204.1054 110.1340 204.5875 108.8173 205.0696 106.9780 205.5518 105.7031 206.0339 105.0940 206.5160 104.7881 206.9981 104.4380 207.4802 104.0286 207.9623 103.5965 208.4445 103.2053 208.9266 102.8466 209.4087 102.2888 209.8908 101.4940 210.3729 100.5686 210.8550 99.58936 211.3372 98.50963 211.8193 97.55320 212.3014 96.86163 212.7835 96.43716 213.2656 95.66899 213.7477 94.51776 214.2299 93.08070 214.7120 91.40709 215.1941 89.34525 215.6762 87.44713 216.1583 85.89928 216.6404 84.73190 217.1226 83.42563 217.6047 81.96884 218.0868 80.38155 218.5689 78.65079 219.0510 76.69244 219.5331 74.78241 220.0153 73.01149 220.4974 71.39769 220.9795 69.62376 221.4616 67.60132 221.9437 65.49829 222.4258 63.52652 222.9080 61.81679 223.3901 60.04602 223.8722 58.13567 224.3543 56.02797 224.8364 53.99261 225.3185 51.98790 225.8007 50.10864 226.2828 48.50156 226.7649 47.42224 227.2470 46.05531 227.7291 44.09663 228.2112 41.40472 228.6934 39.05945 229.1755 37.16011 229.6576 35.51321 230.1397 33.92873 230.6218 32.52003 231.1039 30.93771 231.5861 29.02420 232.0682 26.66573 232.5503 24.68031 233.0324 23.19014 233.5145 21.97806 233.9966 20.75740 234.4788 19.45572 234.9609 18.30261 235.4430 17.49176 235.9251 17.16563 236.4072 16.10381 236.8893 13.72208 237.3715 11.08264 237.8536 9.619873 238.3357 10.19667 238.8178 10.39830 239.2999 9.415192 239.7820 6.996216 240.2642 5.345993 240.7463 4.793579 241.2284 4.723846 241.7105 4.373489 242.1926 3.506500 242.6747 2.783813 243.1569 2.410568 243.6390 2.442642 244.1211 2.350937 244.6032 2.066299 245.0853 1.722382 245.5674 1.481598 246.0496 1.415131 246.5317 1.317291 247.0138 1.071320 247.4959 0.6349330 247.9780 0.6125030 248.4601 1.192123 248.9423 2.007568 249.4244 2.619034 249.9065 2.775391 250.3886 3.251511 250.8707 4.393799 251.3528 6.244324 251.8350 7.498077 252.3171 7.925018 252.7992 7.987961 253.2813 8.093964 253.7634 8.105988 254.2455 8.456161 254.7277 9.382111 255.2098 10.90396 255.6919 11.93365 256.1740 12.35089 256.6561 12.42114 257.1382 12.33160 257.6204 11.95930 258.1025 11.72636 258.5846 11.72797 259.0667 11.95535 259.5488 12.24164 260.0309 12.66084 260.5131 13.01543 260.9952 13.10876 261.4773 12.88503 261.9594 12.56104 262.4415 12.09122 262.9236 11.51643 263.4058 11.20158 263.8879 11.03568 264.3700 11.32191 264.8521 12.56142 265.3342 15.26662 265.8163 17.14078 266.2985 17.72607 266.7806 17.18896 267.2627 16.34755 267.7448 14.97836 268.2269 13.77811 268.7090 13.31624 269.1912 13.75148 269.6733 14.22910 270.1554 14.62022 270.6375 14.98286 271.1196 15.52690 271.6017 16.26006 272.0839 17.14236 272.5660 18.16685 273.0481 19.37228 273.5302 20.50746 274.0123 21.57651 274.4944 22.55864 274.9766 23.34607 275.4587 23.86270 275.9408 24.47772 276.4229 25.46346 276.9050 26.86565 277.3871 28.13303 277.8693 29.20570 278.3514 30.15240 278.8335 31.07538 279.3156 31.96387 279.7977 32.96353 280.2798 34.28529 280.7620 35.92006 281.2441 37.12292 281.7262 37.71452 282.2083 38.11530 282.6904 39.11856 283.1725 40.75842 283.6547 42.48648 284.1368 44.07574 284.6189 45.51732 285.1010 46.86024 285.5831 48.07559 286.0652 49.27356 286.5474 50.61972 287.0295 52.11131 287.5116 53.64752 287.9937 55.29089 288.4758 56.99240 288.9579 58.30626 289.4401 59.19940 289.9222 59.96399 290.4043 60.91031 290.8864 62.03149 291.3685 63.27240 291.8506 64.55724 292.3328 65.95029 292.8149 67.74100 293.2970 69.97957 293.7791 72.10831 294.2612 72.99968 294.7433 73.11238 295.2255 74.41539 295.7076 78.72108 296.1897 83.95712 296.6718 85.54451 297.1539 83.56015 297.6360 80.83429 298.1182 79.49033 298.6003 79.25339 299.0824 79.42719 299.5645 79.90657 300.0466 80.62302 300.5287 81.70131 301.0109 83.05595 301.4930 84.10390 301.9751 84.23703 302.4572 83.80652 302.9393 83.39777 303.4214 83.14346 303.9036 82.93021 304.3857 82.77834 304.8678 82.61186 305.3499 82.13600 305.8320 81.25549 306.3141 79.93506 306.7963 78.05862 307.2784 75.44171 307.7605 72.69707 308.2426 70.22339 308.7247 67.99699 309.2068 65.96358 309.6890 64.44153 310.1711 62.89026 310.6532 60.79163 311.1353 58.01018 311.6174 55.11661 312.0995 52.28555 312.5817 49.64024 313.0638 47.33806 313.5459 45.81226 314.0280 44.35031 314.5101 42.49129 314.9922 40.19742 315.4744 37.81705 315.9565 35.19072 316.4386 32.69301 316.9207 30.78113 317.4028 30.40965 317.8849 29.91046 318.3671 28.36673 318.8492 25.81914 319.3313 23.65849 319.8134 22.56287 320.2955 21.93190 320.7776 21.30580 321.2598 20.71172 321.7419 19.95602 322.2240 18.88353 322.7061 17.57195 323.1882 16.39055 323.6703 15.12602 324.1525 14.14690 324.6346 13.68784 325.1167 14.49382 325.5988 14.94302 326.0809 14.69901 326.5630 13.99155 327.0452 13.45517 327.5273 13.35951 328.0094 13.18074 328.4915 12.69699 328.9736 11.71359 329.4557 10.98076 329.9379 10.51686 330.4200 10.31577 330.9021 10.37901 331.3842 10.87097 331.8663 11.36235 332.3484 11.69029 332.8306 11.74431 333.3127 11.72160 333.7948 11.68546 334.2769 11.67207 334.7590 11.74011 335.2411 12.10625 335.7233 12.20456 336.2054 11.79619 336.6875 10.92239 337.1696 10.51949 337.6517 10.62808 338.1339 11.01274 338.6160 11.58755 339.0981 12.42712 339.5802 13.11096 340.0623 13.50328 340.5444 13.72952 341.0266 14.26126 341.5087 15.14520 341.9908 16.08316 342.4729 16.86737 342.9550 17.46118 343.4371 17.91959 343.9193 18.24559 344.4014 18.46165 344.8835 18.58875 345.3656 18.65379 345.8477 18.82922 346.3298 19.17168 346.8120 19.63499 347.2941 20.16925 347.7762 20.80544 348.2583 21.34633 348.7404 21.50311 349.2225 21.35829 349.7047 21.22664 350.1868 21.14893 350.6689 21.20267 351.1510 21.64082 351.6331 22.44757 352.1152 23.15439 352.5974 23.30515 353.0795 23.05406 353.5616 22.70795 354.0437 22.34235 354.5258 22.08705 355.0079 22.07399 355.4901 22.13689 355.9722 22.10600 356.4543 21.69379 356.9364 21.17055 357.4185 20.83772 357.9006 20.82773 358.3828 20.80382 358.8649 20.67429 359.3470 20.37590 359.8291 19.78297 360.3112 18.47667 360.7933 17.13188 361.2755 16.06706 361.7576 15.29675 362.2397 14.94359 362.7218 15.45818 363.2039 16.26709 363.6860 16.72847 364.1682 16.10994 364.6503 15.66275 365.1324 15.82661 365.6145 16.58971 366.0966 17.45467 366.5787 18.56955 367.0609 19.61957 367.5430 20.40350 368.0251 20.71458 368.5072 20.98151 368.9893 21.35878 369.4714 21.73233 369.9536 21.69225 370.4357 21.04053 370.9178 20.18245 371.3999 19.27451 371.8820 18.31940 372.3641 17.30569 372.8463 16.31833 373.3284 15.22534 373.8105 13.72592 374.2926 11.49727 374.7747 9.576767 375.2568 8.257568 375.7390 7.540009 376.2211 7.144882 376.7032 7.212997 377.1853 7.301010 377.6674 6.916763 378.1495 5.992432 378.6317 5.197464 379.1138 4.707291 379.5959 4.398361 380.0780 3.776337 380.5601 2.798447 381.0422 2.017258 381.5244 2.089508 382.0065 2.798004 382.4886 2.835419 382.9707 1.958313 383.4528 0.7280880 383.9349 0.2088780 384.4171 0.8463440 384.8992 1.172028 385.3813 0.9164730 385.8634 0.4298400 386.3455 0.3192600 386.8276 0.6145630 387.3098 1.071945 387.7919 1.656647 388.2740 2.238052 388.7561 2.601715 389.2382 2.908615 389.7203 2.752686 390.2025 1.356476 390.6846 0.9754640 391.1667 2.855988 391.6488 3.592239 392.1309 3.468063 392.6130 2.615158 393.0952 0.7567140 393.5773 1.130981 394.0594 2.811005 394.5415 4.213318 395.0236 5.207428 395.5057 5.435257 395.9879 5.524017 396.4700 5.709427 396.9521 6.021927 397.4342 6.336960 397.9163 6.652374 398.3984 6.952042 398.8806 7.221146 399.3627 7.723541 399.8448 7.886017 400.3269 7.512451 400.8090 6.676086 401.2911 5.955063 401.7733 5.238098 402.2554 4.753143 402.7375 4.680542 403.2196 5.311462 403.7017 5.610916 404.1838 5.490143 404.6660 5.092285 405.1481 4.674118 405.6302 4.202713 406.1123 3.805588 406.5944 3.535019 407.0765 3.383362 407.5587 3.296036 408.0408 3.290558 408.5229 3.271957 409.0050 3.178085 409.4871 3.006561 409.9692 2.626740 410.4514 1.878998 410.9335 1.047348 411.4156 1.073380 411.8977 1.844894 412.3798 1.960922 412.8619 0.1330260 413.3441 3.410919 413.8262 5.972076 414.3083 7.606812 414.7904 8.563339 415.2725 8.983505 415.7546 8.930893 416.2368 8.562973 416.7189 8.037857 417.2010 7.157974 417.6831 5.460068 418.1652 3.023102 418.6473 0.9765630 419.1295 7.4051000E-02 419.6116 0.2212830 420.0937 0.3794250 420.5758 0.5467830 421.0579 0.5377040 421.5400 0.1263280 422.0222 0.5162350 422.5043 1.001602 422.9864 1.276825 423.4685 1.337082 423.9506 1.078461 424.4327 0.2614140 424.9149 6.7580998E-02 425.3970 0.4905090 425.8791 1.345291 426.3612 1.950256 426.8433 2.332932 427.3254 2.370285 427.8076 1.808273 428.2897 0.8044430 428.7718 0.5624390 429.2539 1.395401 429.7360 2.325989 430.2181 2.666565 430.7003 2.272308 431.1824 2.313171 431.6645 3.003647 432.1466 3.857071 432.6287 3.872559 433.1108 3.022415 433.5930 2.370682 434.0751 2.418640 434.5572 2.976456 435.0393 3.335312 435.5214 3.475632 436.0035 3.744202 436.4857 4.610001 436.9678 5.834961 437.4499 6.838165 437.9320 7.378006 438.4141 7.822403 438.8962 8.538879 439.3784 9.540100 439.8605 10.77585 440.3426 12.11667 440.8247 13.62671 441.3068 15.51880 441.7889 17.83481 442.2711 20.02460 442.7532 21.55881 443.2353 22.97528 443.7174 24.80881 444.1995 27.25351 444.6816 30.00870 445.1638 33.01086 445.6459 36.23877 446.1280 39.80606 446.6101 43.93567 447.0922 48.26102 447.5743 52.67719 448.0565 57.13641 448.5386 61.97415 449.0207 66.91235 449.5028 72.22858 449.9849 78.25894 450.4670 85.26465 450.9492 92.35999 451.4313 99.22903 451.9134 105.9779 452.3955 113.0402 452.8776 120.2060 453.3597 128.0348 453.8419 137.1224 454.3240 147.3464 454.8061 157.4813 455.2882 167.3197 455.7703 177.0560 456.2524 186.8517 456.7346 196.7865 457.2167 206.2477 457.6988 214.7874 458.1809 223.0276 458.6630 232.6032 459.1451 243.3133 459.6273 253.6633 460.1094 262.6168 460.5915 270.3118 461.0736 276.8552 461.5557 282.2951 462.0378 286.8477 462.5200 290.0794 463.0021 292.6093 463.4842 295.5500 463.9663 301.3936 464.4484 305.9849 464.9305 306.5017 465.4127 302.5791 465.8948 299.4962 466.3769 298.9710 466.8590 299.2985 467.3411 299.2552 467.8232 298.7803 468.3054 297.9657 468.7875 296.5558 469.2696 294.8091 469.7517 293.4805 470.2338 292.8864 470.7159 292.3269 471.1981 291.3302 471.6802 289.8574 472.1623 288.8397 472.6444 288.4421 473.1265 288.0596 473.6086 286.9008 474.0908 284.9843 474.5729 283.5813 475.0550 282.9908 475.5371 282.9035 476.0192 282.7844 476.5013 282.6452 476.9835 282.5917 477.4656 282.7802 477.9477 283.0577 478.4298 282.9712 478.9119 282.4811 479.3940 282.4732 479.8762 283.6933 480.3583 285.7972 480.8404 288.3413 481.3225 291.2982 481.8046 294.5672 482.2867 297.8415 482.7689 301.3786 483.2510 305.8384 483.7331 311.2607 484.2152 317.8460 484.6973 325.8120 485.1794 335.3947 485.6616 345.4181 486.1437 355.4638 486.6258 366.1067 487.1079 377.8708 487.5900 390.7031 488.0721 404.8250 488.5543 420.0539 489.0364 436.6039 489.5185 454.9799 490.0006 474.9737 490.4827 496.9003 490.9648 520.5457 491.4470 546.0073 491.9291 573.6405 492.4112 603.2365 492.8933 635.3822 493.3754 670.4405 493.8575 708.5257 494.3397 749.6346 494.8218 793.1672 495.3039 840.1826 495.7860 891.2391 496.2681 946.3720 496.7502 1005.417 497.2324 1067.969 497.7145 1135.314 498.1966 1208.381 498.6787 1287.836 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