#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:51:18 +0300 (Thu, 24 May 2018) $ #$Revision: 832 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000321.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_1000321 loop_ _publ_author_name 'Biagioni, C.' 'Merlino, S.' 'Parodi, G. C.' 'Perchiazzi, N.' _publ_section_title ; Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 593 _journal_page_last 609 _journal_paper_doi 10.3749/canmin.50.3.593 _journal_volume 50 _journal_year 2012 _chemical_compound_source 'the nepheline syenites of the Los Archipelago, Guinea' _chemical_formula_sum 'Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733' _chemical_name_mineral Lavenite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 108.392 _cell_angle_gamma 90 _cell_length_a 10.8475 _cell_length_b 9.9364 _cell_length_c 7.1488 _cell_volume 731.175 _exptl_crystal_density_diffrn 3.607 _cod_original_formula_sum 'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25' _cod_database_code 9014318 _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 R120044.rod _rod_data_source.block 3500000 _rod_database.code 1000321 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 9014318 COD http://www.crystallography.net/cod/9014318.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 203.7896 0.0000000E+00 204.2717 0.9004360 204.7538 1.469879 205.2360 0.4579930 205.7181 0.2303620 206.2002 0.1367800 206.6823 1.759109 207.1644 2.920898 207.6465 3.374664 208.1287 3.317078 208.6108 3.332825 209.0929 3.385956 209.5750 3.583969 210.0571 4.080429 210.5392 5.012711 211.0214 5.586761 211.5035 5.652328 211.9856 5.340790 212.4677 5.087494 212.9498 4.865707 213.4319 4.766373 213.9140 4.913391 214.3962 5.445984 214.8783 5.722931 215.3604 5.617355 215.8425 5.226685 216.3246 4.946304 216.8067 4.832886 217.2889 4.714020 217.7710 4.445923 218.2531 3.910507 218.7352 3.576187 219.2173 3.543488 219.6994 3.736542 220.1816 3.800491 220.6637 3.690887 221.1458 3.525116 221.6279 3.368713 222.1100 3.212814 222.5921 3.083221 223.0743 2.983688 223.5564 2.912659 224.0385 2.894638 224.5206 3.056274 225.0027 3.080170 225.4848 2.682480 225.9670 1.496567 226.4491 0.8118590 226.9312 0.8779300 227.4133 1.534348 227.8954 2.014252 228.3775 2.229980 228.8597 2.385849 229.3418 2.610123 229.8239 2.969345 230.3060 3.231812 230.7881 3.332062 231.2702 3.312424 231.7524 3.359665 232.2345 3.403839 232.7166 3.599136 233.1987 4.075363 233.6808 5.054306 234.1629 5.802094 234.6451 6.191010 235.1272 6.308014 235.6093 6.554337 236.0914 7.009430 236.5735 7.484879 237.0556 7.861206 237.5378 8.034225 238.0199 8.362823 238.5020 9.009186 238.9841 9.837280 239.4662 10.20457 239.9483 9.712433 240.4305 9.316391 240.9126 9.583145 241.3947 10.96548 241.8768 12.02423 242.3589 12.65796 242.8410 12.93025 243.3232 13.02043 243.8053 12.71059 244.2874 12.51668 244.7695 12.71797 245.2516 13.48923 245.7337 14.27068 246.2159 15.13971 246.6980 15.99229 247.1801 16.38237 247.6622 15.74417 248.1443 15.49478 248.6264 16.54750 249.1086 20.13330 249.5907 21.97388 250.0728 21.19449 250.5549 18.86143 251.0370 17.89900 251.5191 19.09457 252.0013 20.41751 252.4834 20.94363 252.9655 20.27359 253.4476 19.83504 253.9297 19.60338 254.4118 19.61824 254.8940 19.97772 255.3761 20.75815 255.8582 21.75374 256.3403 23.03659 256.8224 24.99179 257.3046 25.85660 257.7867 25.14441 258.2688 23.64140 258.7509 22.90601 259.2330 23.25185 259.7151 23.73450 260.1973 24.03191 260.6794 24.13446 261.1615 24.05380 261.6436 23.62056 262.1257 23.08177 262.6078 22.67000 263.0900 22.34155 263.5721 22.27095 264.0542 22.65411 264.5363 23.60660 265.0184 24.20186 265.5005 24.41940 265.9827 24.33009 266.4648 23.92303 266.9469 22.98720 267.4290 22.36829 267.9111 22.42961 268.3932 23.22795 268.8754 23.72409 269.3575 23.82770 269.8396 23.76038 270.3217 23.81294 270.8038 24.03139 271.2859 24.16057 271.7681 24.03912 272.2502 23.68452 272.7323 23.81517 273.2144 24.67065 273.6965 25.51860 274.1786 25.39999 274.6608 24.06898 275.1429 23.11472 275.6250 23.02618 276.1071 23.67514 276.5892 24.07393 277.0714 24.15262 277.5535 24.16772 278.0356 24.41566 278.5177 24.93716 278.9998 25.23875 279.4819 25.13126 279.9641 24.74330 280.4462 24.70110 280.9283 25.08220 281.4104 25.47055 281.8925 25.46327 282.3746 25.05405 282.8568 24.78838 283.3389 24.77618 283.8210 24.95447 284.3031 25.20163 284.7852 25.54175 285.2673 25.79285 285.7495 25.69408 286.2316 25.29614 286.7137 25.27672 287.1958 25.81538 287.6779 26.63785 288.1600 27.20917 288.6422 27.52715 289.1243 27.72147 289.6064 27.58719 290.0885 27.28912 290.5706 27.88406 291.0527 29.68135 291.5349 31.85567 292.0170 33.27345 292.4991 33.92732 292.9812 33.89409 293.4633 32.65427 293.9454 30.70493 294.4276 29.74738 294.9097 29.99783 295.3918 30.72304 295.8739 31.06439 296.3560 31.09087 296.8381 31.13644 297.3203 31.43503 297.8024 31.84850 298.2845 32.15787 298.7666 32.37509 299.2487 32.32901 299.7308 31.49959 300.2130 30.21051 300.6951 29.40977 301.1772 29.82761 301.6593 30.77405 302.1414 31.39160 302.6235 31.67416 303.1057 31.55292 303.5878 30.71504 304.0699 29.45897 304.5520 28.36050 305.0341 27.61685 305.5162 27.07536 305.9984 26.60950 306.4805 26.21965 306.9626 25.84605 307.4447 25.45261 307.9268 25.06259 308.4089 24.73622 308.8911 24.52933 309.3732 24.27571 309.8553 23.78447 310.3374 23.12782 310.8195 22.52542 311.3016 22.15176 311.7838 21.84607 312.2659 21.44600 312.7480 20.96867 313.2301 20.38216 313.7122 19.62366 314.1943 18.72192 314.6765 17.76773 315.1586 16.52251 315.6407 15.44946 316.1228 14.94420 316.6049 15.20769 317.0870 15.35362 317.5692 14.90990 318.0513 14.14258 318.5334 13.42767 319.0155 12.93884 319.4976 12.44128 319.9797 11.83501 320.4619 11.11938 320.9440 10.43832 321.4261 9.830582 321.9082 9.294785 322.3903 8.830521 322.8724 8.346619 323.3546 8.022873 323.8367 8.002716 324.3188 8.259262 324.8009 8.338974 325.2830 8.144562 325.7651 7.752869 326.2473 7.231491 326.7294 6.474167 327.2115 5.746826 327.6936 5.026520 328.1757 4.344101 328.6578 3.823654 329.1400 3.446152 329.6221 3.255371 330.1042 3.282135 330.5863 3.718521 331.0684 4.063263 331.5505 4.359604 332.0327 4.552734 332.5148 4.498383 332.9969 3.973022 333.4790 3.484650 333.9611 3.175232 334.4432 3.039307 334.9254 3.103149 335.4075 3.464111 335.8896 3.933945 336.3717 4.262909 336.8538 4.432495 337.3359 4.493225 337.8180 4.449051 338.3001 4.303024 338.7823 4.082779 339.2644 3.761734 339.7465 3.434677 340.2286 3.181412 340.7107 3.003708 341.1928 2.943787 341.6750 3.073929 342.1571 3.315826 342.6392 3.320709 343.1213 3.046524 343.6034 2.762589 344.0855 2.683701 344.5677 2.802200 345.0498 2.883072 345.5319 2.902939 346.0140 2.866241 346.4961 2.793854 346.9782 2.684982 347.4604 2.488892 347.9425 1.955185 348.4246 1.276276 348.9067 1.343552 349.3888 2.337006 349.8709 3.412140 350.3531 3.319839 350.8352 2.370712 351.3173 1.721130 351.7994 2.234406 352.2815 3.229523 352.7636 3.518204 353.2458 3.098511 353.7279 2.520248 354.2100 2.203430 354.6921 2.049118 355.1742 1.880844 355.6563 1.562469 356.1385 1.288910 356.6206 1.306961 357.1027 1.561111 357.5848 1.780273 358.0669 1.888794 358.5490 1.843948 359.0312 1.567551 359.5133 0.9314580 359.9954 0.3184200 360.4775 2.3848999E-02 360.9596 0.1826170 361.4417 0.3376920 361.9239 0.6762850 362.4060 0.9451750 362.8881 0.9517970 363.3702 0.6129300 363.8523 0.3534850 364.3344 0.3142240 364.8166 0.4252620 365.2987 0.6096650 365.7808 1.053848 366.2629 1.357651 366.7450 1.313263 367.2271 0.9231570 367.7093 0.7149660 368.1914 0.9920810 368.6735 1.319962 369.1556 1.415878 369.6377 0.8810120 370.1198 0.6036990 370.6020 0.7932130 371.0841 1.291138 371.5662 1.513046 372.0483 1.278778 372.5304 0.9876400 373.0125 0.8128200 373.4947 0.8323970 373.9768 0.7381740 374.4589 0.4625090 374.9410 0.1268620 375.4231 3.8132001E-02 375.9052 7.2861001E-02 376.3874 3.7338000E-02 376.8695 0.3770450 377.3516 1.158508 377.8337 1.473740 378.3158 1.239670 378.7979 0.7971500 379.2801 0.4546050 379.7622 0.2120060 380.2443 1.4755000E-02 380.7264 0.1720580 381.2085 0.3037260 381.6906 0.2777100 382.1728 9.6390001E-02 382.6549 0.2451780 383.1370 0.9472660 383.6191 1.852371 384.1012 2.227173 384.5833 1.886200 385.0655 1.384750 385.5476 1.483200 386.0297 2.058578 386.5118 2.668320 386.9939 3.006088 387.4760 3.293777 387.9582 3.974609 388.4403 5.067459 388.9224 6.018143 389.4045 6.232178 389.8866 6.058075 390.3687 5.992828 390.8509 6.339798 391.3330 6.699799 391.8151 6.660706 392.2972 6.351334 392.7793 6.289169 393.2614 6.985519 393.7436 7.861755 394.2257 8.507523 394.7078 8.765213 395.1899 8.985809 395.6720 9.233612 396.1541 9.530914 396.6363 9.914612 397.1184 10.40791 397.6005 10.97342 398.0826 11.70021 398.5647 12.64911 399.0468 13.24612 399.5290 13.02841 400.0111 12.66501 400.4932 12.69513 400.9753 13.43903 401.4574 14.15530 401.9395 14.78992 402.4217 15.34950 402.9038 15.83289 403.3859 16.14636 403.8680 16.52313 404.3501 17.12372 404.8322 18.07555 405.3144 18.79462 405.7965 19.26917 406.2786 19.51659 406.7607 19.46564 407.2428 19.02919 407.7249 18.77753 408.2071 18.97755 408.6892 19.54060 409.1713 19.82613 409.6534 19.77084 410.1355 19.81146 410.6176 20.53217 411.0998 21.78380 411.5819 22.66731 412.0640 22.96054 412.5461 22.88885 413.0282 22.74876 413.5103 22.54907 413.9925 22.33951 414.4746 22.15971 414.9567 21.98175 415.4388 21.74648 415.9209 21.43782 416.4030 21.15744 416.8852 21.04370 417.3673 21.00433 417.8494 20.88821 418.3315 20.41466 418.8136 20.01807 419.2957 20.13536 419.7779 20.65654 420.2600 20.93410 420.7421 20.53293 421.2242 19.90834 421.7063 19.33578 422.1884 18.66806 422.6706 18.36522 423.1527 18.87682 423.6348 19.76924 424.1169 20.26735 424.5990 20.05815 425.0811 19.69846 425.5633 19.20808 426.0454 18.47363 426.5275 18.18073 427.0096 18.72763 427.4917 19.46013 427.9738 19.75357 428.4560 19.22067 428.9381 18.96935 429.4202 19.32121 429.9023 20.04817 430.3844 20.23453 430.8665 19.69911 431.3487 19.08931 431.8308 18.74986 432.3129 18.70906 432.7950 18.66594 433.2771 18.60823 433.7592 18.53288 434.2414 18.48590 434.7235 18.47372 435.2056 18.41188 435.6877 18.16965 436.1698 17.90326 436.6519 18.06334 437.1341 18.61887 437.6162 19.01578 438.0983 18.73373 438.5804 18.03819 439.0625 17.36803 439.5446 16.79198 440.0268 16.33954 440.5089 16.09792 440.9910 15.98904 441.4731 15.82150 441.9552 15.53058 442.4373 15.17717 442.9195 14.72308 443.4016 14.18413 443.8837 13.78951 444.3658 13.74336 444.8479 13.82417 445.3300 13.85999 445.8122 13.87619 446.2943 13.76688 446.7764 13.38333 447.2585 12.85898 447.7406 12.51871 448.2227 12.82487 448.7049 12.87996 449.1870 12.31589 449.6691 10.97682 450.1512 9.990494 450.6333 9.408142 451.1154 9.137802 451.5976 9.181610 452.0797 9.705017 452.5618 9.974319 453.0439 9.815948 453.5260 9.368759 454.0081 9.018250 454.4903 8.765594 454.9724 8.602859 455.4545 8.528122 455.9366 8.539047 456.4187 8.669891 456.9008 8.951828 457.3830 9.173645 457.8651 8.899460 458.3472 8.321899 458.8293 8.105316 459.3114 8.663864 459.7935 9.475510 460.2757 9.942047 460.7578 10.09062 461.2399 10.08299 461.7220 9.963303 462.2041 9.765427 462.6862 9.455750 463.1684 8.958023 463.6505 8.684204 464.1326 9.073212 464.6147 9.748184 465.0968 10.22765 465.5789 10.37596 466.0611 10.29561 466.5432 9.850296 467.0253 9.099930 467.5074 8.643188 467.9895 8.848007 468.4716 9.123657 468.9538 9.200165 469.4359 9.039841 469.9180 8.747543 470.4001 8.211029 470.8822 7.613861 471.3643 7.223434 471.8465 7.060394 472.3286 7.048096 472.8107 7.223083 473.2928 7.534637 473.7749 7.748947 474.2570 7.887756 474.7392 7.798737 475.2213 7.168457 475.7034 6.118103 476.1855 5.519638 476.6676 5.525848 477.1497 5.789795 477.6319 5.945740 478.1140 5.990997 478.5961 5.908142 479.0782 5.647720 479.5603 5.282150 480.0424 4.820145 480.5246 4.284439 481.0067 3.875000 481.4888 3.842117 481.9709 3.919708 482.4530 3.860168 482.9352 3.553177 483.4173 3.259521 483.8994 3.132965 484.3815 3.070587 484.8636 2.918121 485.3457 2.618835 485.8279 2.247803 486.3100 1.751755 486.7921 1.133606 487.2742 0.7195130 487.7563 0.5739290 488.2384 0.5671540 488.7206 0.6696620 489.2027 1.023590 489.6848 1.095200 490.1669 0.7970120 490.6490 0.3057710 491.1311 0.1561890 491.6133 0.6066590 492.0954 0.8663640 492.5775 0.8093410 493.0596 0.5388180 493.5417 0.4486850 494.0238 0.5428620 494.5060 0.6766510 494.9881 0.7831730 495.4702 0.8480380 495.9523 0.8074650 496.4344 0.6297910 496.9165 0.4655460 497.3987 0.5613860 497.8808 0.7705840 498.3629 0.8131100 498.8450 0.3251500 499.3271 0.1600040 499.8092 0.2150270 500.2914 7.7483997E-02 500.7735 0.2659000 501.2556 9.7594999E-02 501.7377 0.1729580 502.2198 0.4274750 502.7019 0.7230380 503.1841 0.8266450 503.6662 0.5064090 504.1483 6.6620000E-02 504.6304 0.1389310 505.1125 1.6586000E-02 505.5946 0.1962890 506.0768 0.5145570 506.5589 0.8997500 507.0410 1.184250 507.5231 1.386734 508.0052 1.432053 508.4873 1.148438 508.9695 0.5333400 509.4516 0.3802950 509.9337 0.7609560 510.4158 1.317413 510.8979 1.656479 511.3800 1.818909 511.8622 1.981613 512.3443 2.217529 512.8264 2.437531 513.3085 2.546280 513.7906 2.545441 514.2728 2.439133 514.7549 1.951904 515.2370 1.542755 515.7191 1.766876 516.2012 2.707504 516.6833 3.406464 517.1655 3.128006 517.6476 2.576523 518.1297 2.355438 518.6118 2.832718 519.0939 3.346069 519.5760 3.829178 520.0582 4.277740 520.5403 4.706085 521.0224 5.215088 521.5045 5.547348 521.9866 5.548279 522.4688 5.217957 522.9509 5.179428 523.4330 5.511703 523.9151 5.945251 524.3972 6.240799 524.8793 6.389908 525.3615 6.770432 525.8436 7.499649 526.3257 8.238647 526.8078 8.391617 527.2899 8.068436 527.7720 7.782349 528.2542 7.699448 528.7363 7.791718 529.2184 8.077057 529.7005 8.526871 530.1826 9.000153 530.6647 9.386993 531.1469 9.774109 531.6290 10.31117 532.1111 11.09549 532.5932 11.63606 533.0753 11.50162 533.5574 11.13350 534.0396 10.99086 534.5217 11.29106 535.0038 11.66341 535.4859 12.12534 535.9680 12.62868 536.4501 13.01268 536.9323 13.17345 537.4144 13.38365 537.8965 13.68130 538.3786 14.05531 538.8607 14.93025 539.3428 16.46443 539.8250 17.98325 540.3071 18.80818 540.7892 18.98889 541.2713 19.06738 541.7534 19.08862 542.2355 19.12000 542.7177 19.34637 543.1998 19.67998 543.6819 19.83389 544.1640 19.40022 544.6461 18.91956 545.1282 18.99782 545.6104 19.54668 546.0925 20.00134 546.5746 19.98094 547.0567 19.83083 547.5388 19.77711 548.0209 19.87488 548.5031 19.98589 548.9852 20.20128 549.4673 20.33093 549.9494 20.20131 550.4315 19.72278 550.9136 19.16524 551.3958 18.37259 551.8779 17.53209 552.3600 17.37538 552.8421 18.17029 553.3242 18.71133 553.8063 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