#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:54:21 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1006 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000463.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_1000463 loop_ _publ_author_name 'Cooper, M. A.' 'Hawthorne, F. C.' _publ_section_title ; The effect of differences in coordination on ordering of polyvalent cations in close-packed structures: The crystal structure of arakiite and comparison with hematolite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1471 _journal_page_last 1482 _journal_volume 37 _journal_year 1999 _chemical_compound_source R070172 _chemical_formula_sum 'Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71' _chemical_name_mineral Arakiite _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 93.52 _cell_angle_gamma 90 _cell_length_a 14.236 _cell_length_b 8.206 _cell_length_c 24.225 _cell_volume 2824.640 _exptl_crystal_density_diffrn 3.467 _cod_original_cell_volume 2824.641 _cod_original_formula_sum 'Zn.71 Mn8.06 Fe1.26 Mg4.23 Al.74 As3 O34 H23' _cod_database_code 9004545 _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 R070172.rod _rod_data_source.block 3500000 _rod_database.code 1000463 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 9004545 COD http://www.crystallography.net/cod/9004545.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 183.3885 0.0000000E+00 183.8706 5.5187002E-02 184.3528 2.6489001E-02 184.8349 6.3609998E-03 185.3170 6.0470998E-02 185.7991 0.1715320 186.2812 0.3998950 186.7633 0.6375430 187.2455 0.6929230 187.7276 0.4928970 188.2097 0.1839120 188.6918 2.8664000E-02 189.1739 7.9190005E-03 189.6560 6.1588001E-02 190.1382 0.1810400 190.6203 0.3454990 191.1024 0.4588680 191.5845 0.5066410 192.0666 0.4952980 192.5487 0.4209120 193.0309 0.2724040 193.5130 0.1659430 193.9951 0.2457010 194.4772 0.4998040 194.9593 0.6737960 195.4414 0.7029720 195.9236 0.6423320 196.4057 0.6300530 196.8878 0.5775550 197.3699 0.5538670 197.8520 0.6576480 198.3341 0.8968030 198.8163 1.058445 199.2984 1.031549 199.7805 0.8039530 200.2626 0.7215630 200.7447 0.8074740 201.2268 0.9864690 201.7090 1.129099 202.1911 1.013088 202.6732 1.021032 203.1553 1.284351 203.6374 1.736807 204.1195 1.858324 204.6017 1.567602 205.0838 1.164431 205.5659 0.9582730 206.0480 0.9895610 206.5301 0.9871790 207.0122 0.8824480 207.4944 0.6847320 207.9765 0.4768810 208.4586 0.2252940 208.9407 3.1438999E-02 209.4228 1.2875000E-02 209.9049 0.1999570 210.3871 0.4533710 210.8692 0.7978210 211.3513 1.219500 211.8334 1.386257 212.3155 1.238115 212.7976 0.9345210 213.2798 0.6135410 213.7619 0.2304100 214.2440 3.2860000E-02 214.7261 0.1079790 215.2082 7.5380001E-03 215.6903 9.3060002E-02 216.1725 0.1326260 216.6546 0.1632860 217.1367 0.2499730 217.6188 0.4620590 218.1009 0.5409010 218.5830 0.3572860 219.0651 0.1168230 219.5473 0.3137590 220.0294 0.1266710 220.5115 0.2012460 220.9936 0.3769400 221.4757 0.3155020 221.9578 0.3026710 222.4400 0.4196320 222.9221 0.6807140 223.4042 0.9202800 223.8863 1.173290 224.3684 1.372564 224.8505 1.413633 225.3327 1.171406 225.8148 1.043926 226.2969 1.193104 226.7790 1.669161 227.2611 1.840996 227.7432 1.536186 228.2254 1.105503 228.7075 0.9644950 229.1896 1.261393 229.6717 1.553637 230.1538 1.750101 230.6359 1.844049 231.1181 1.889259 231.6002 1.837486 232.0823 1.782669 232.5644 1.855507 233.0465 2.199511 233.5286 2.391071 234.0108 2.248791 234.4929 1.714443 234.9750 1.539911 235.4571 1.907471 235.9392 2.459568 236.4213 2.824007 236.9035 2.942314 237.3856 2.972471 237.8677 2.908222 238.3498 2.732323 238.8319 2.675798 239.3140 2.809807 239.7962 3.016758 240.2783 3.125269 240.7604 3.036966 241.2425 3.062920 241.7246 3.308250 242.2067 3.796177 242.6889 4.118816 243.1710 4.179371 243.6531 4.138094 244.1352 4.166267 244.6173 4.299879 245.0994 4.457943 245.5816 4.659897 246.0637 4.911287 246.5458 4.997320 247.0279 4.753624 247.5100 4.484837 247.9921 4.493099 248.4743 4.939581 248.9564 5.345142 249.4385 5.612011 249.9206 5.739567 250.4027 5.888693 250.8848 6.085014 251.3670 6.280102 251.8491 6.424314 252.3312 6.501387 252.8133 6.561043 253.2954 6.603777 253.7775 6.633177 254.2597 6.683701 254.7418 6.741255 255.2239 6.826378 255.7060 6.947157 256.1881 7.099401 256.6702 7.325056 257.1523 7.687517 257.6345 8.152576 258.1166 8.420872 258.5987 8.454475 259.0808 8.346146 259.5629 8.126169 260.0450 7.723869 260.5272 7.416265 261.0093 7.259331 261.4914 7.228403 261.9735 7.206276 262.4556 7.230682 262.9377 7.198351 263.4199 7.030144 263.9020 6.690626 264.3841 6.320789 264.8662 5.887114 265.3483 5.440128 265.8304 5.176054 266.3126 5.156710 266.7947 5.187696 267.2768 5.177849 267.7589 5.149839 268.2410 4.994946 268.7231 4.634638 269.2053 4.174179 269.6874 3.954065 270.1695 4.066198 270.6516 4.169146 271.1337 4.037781 271.6158 3.593245 272.0980 3.308992 272.5801 3.254257 273.0622 3.339323 273.5443 3.321430 274.0264 3.173853 274.5085 3.011856 274.9907 2.898664 275.4728 2.842794 275.9549 2.753353 276.4370 2.605400 276.9191 2.439583 277.4012 2.367552 277.8834 2.432074 278.3655 2.513622 278.8476 2.580854 279.3297 2.636877 279.8118 2.520348 280.2939 2.180691 280.7761 1.780514 281.2582 1.579332 281.7403 1.593697 282.2224 1.619852 282.7045 1.564819 283.1866 1.440256 283.6688 1.401104 284.1509 1.467842 284.6330 1.554127 285.1151 1.563421 285.5972 1.495461 286.0793 1.371046 286.5615 1.168825 287.0436 0.9128760 287.5257 0.7136800 288.0078 0.5717950 288.4899 0.4811340 288.9720 0.4641820 289.4542 0.5111680 289.9363 0.5145850 290.4184 0.4183460 290.9005 0.2678390 291.3826 0.1893220 291.8647 0.1852130 292.3469 0.2161310 292.8290 0.2749080 293.3111 0.3475480 293.7932 0.3696400 294.2753 0.3145470 294.7574 0.2118780 295.2396 9.6077003E-02 295.7217 3.0447001E-02 296.2038 0.1115320 296.6859 5.3576998E-02 297.1680 8.7063000E-02 297.6501 0.1529180 298.1323 0.1024840 298.6144 1.1028000E-02 299.0965 0.1595480 299.5786 0.3279400 300.0607 0.4136390 300.5428 0.3019100 301.0250 7.3798999E-02 301.5071 0.1431850 301.9892 0.3530010 302.4713 0.4832250 302.9534 0.3645820 303.4355 7.7000000E-02 303.9177 0.1187290 304.3998 5.9436999E-02 304.8819 0.3646700 305.3640 0.4376620 305.8461 0.2135450 306.3282 3.3936001E-02 306.8104 2.8755000E-02 307.2925 0.1326290 307.7746 0.2491740 308.2567 0.1447910 308.7388 1.4710000E-03 309.2209 2.6279001E-02 309.7031 0.2381690 310.1852 0.4044400 310.6673 0.3095910 311.1494 8.1561998E-02 311.6315 9.6856996E-02 312.1136 0.1744330 312.5958 0.1658120 313.0779 2.3810999E-02 313.5600 0.2350520 314.0421 0.4244650 314.5242 0.3929920 315.0063 0.2591110 315.4885 0.1392690 315.9706 4.3412998E-02 316.4527 7.0739998E-03 316.9348 6.7250002E-03 317.4169 7.7079996E-02 317.8990 0.1698230 318.3812 0.3233320 318.8633 0.4635720 319.3454 0.5312250 319.8275 0.4539790 320.3096 0.3979000 320.7917 0.4260600 321.2739 0.5145650 321.7560 0.6027030 322.2381 0.7221030 322.7202 0.8013190 323.2023 0.7784290 323.6844 0.5471190 324.1666 0.4564210 324.6487 0.7151490 325.1308 1.123766 325.6129 1.369831 326.0950 1.215014 326.5771 1.074396 327.0593 1.099415 327.5414 1.362278 328.0235 1.510695 328.5056 1.383774 328.9877 1.191833 329.4698 1.156519 329.9520 1.510853 330.4341 1.746532 330.9162 1.723103 331.3983 1.428307 331.8804 1.270679 332.3625 1.350513 332.8447 1.482538 333.3268 1.516415 333.8089 1.308367 334.2910 1.273024 334.7731 1.541584 335.2552 2.036180 335.7374 2.319984 336.2195 2.315882 336.7016 2.229179 337.1837 2.169855 337.6658 2.146704 338.1479 2.121492 338.6301 2.090328 339.1122 2.057198 339.5943 2.013737 340.0764 1.933121 340.5585 1.931824 341.0406 2.101475 341.5227 2.462395 342.0049 2.714655 342.4870 2.851851 342.9691 2.898829 343.4512 2.867973 343.9333 2.753897 344.4154 2.640978 344.8976 2.531828 345.3797 2.445108 345.8618 2.509398 346.3439 2.744631 346.8260 3.003702 347.3081 3.140261 347.7903 3.168043 348.2724 3.183069 348.7545 3.199694 349.2366 3.225677 349.7187 3.273052 350.2008 3.343130 350.6830 3.441456 351.1651 3.649057 351.6472 3.885103 352.1293 3.899534 352.6114 3.556910 353.0935 3.228970 353.5757 3.472281 354.0578 4.128544 354.5399 4.659445 355.0220 4.668980 355.5041 4.424889 355.9862 4.216347 356.4684 4.057457 356.9505 3.976889 357.4326 4.071487 357.9147 4.254036 358.3968 4.409981 358.8789 4.359732 359.3611 4.297047 359.8432 4.454344 360.3253 4.827913 360.8074 5.104805 361.2895 4.971083 361.7716 4.686241 362.2538 4.522284 362.7359 4.562975 363.2180 4.691845 363.7001 5.007137 364.1822 5.428261 364.6643 5.649303 365.1465 5.299547 365.6286 4.914539 366.1107 4.803705 366.5928 5.187780 367.0749 5.502783 367.5570 5.621288 368.0392 5.624964 368.5213 5.651754 369.0034 5.730820 369.4855 5.811863 369.9676 5.946119 370.4497 6.208445 370.9319 6.156021 371.4140 5.433998 371.8961 4.611431 372.3782 4.262701 372.8603 4.636724 373.3424 5.065153 373.8246 5.547575 374.3067 6.036335 374.7888 6.117912 375.2709 5.564631 375.7530 4.983389 376.2351 4.795609 376.7173 5.121408 377.1994 5.356701 377.6815 5.475698 378.1636 5.474331 378.6457 5.276155 379.1278 4.823341 379.6100 4.486509 380.0921 4.499132 380.5742 4.843929 381.0563 5.059122 381.5384 5.129688 382.0205 5.126020 382.5027 5.192677 382.9848 5.302429 383.4669 5.171993 383.9490 4.507172 384.4311 3.646091 384.9132 3.484137 385.3954 3.997095 385.8775 4.537622 386.3596 4.527431 386.8417 4.162001 387.3238 3.852499 387.8059 3.703773 388.2881 3.601179 388.7702 3.336403 389.2523 2.995441 389.7344 2.841833 390.2165 3.248875 390.6986 3.784794 391.1808 4.021452 391.6629 3.898891 392.1450 3.645403 392.6271 3.262169 393.1092 2.876875 393.5913 2.660955 394.0735 2.899979 394.5556 3.117579 395.0377 3.033829 395.5198 2.678741 396.0019 2.412415 396.4840 2.466089 396.9662 2.584351 397.4483 2.592293 397.9304 2.349009 398.4125 2.117039 398.8946 1.895548 399.3767 1.715214 399.8589 1.651934 400.3410 1.894369 400.8231 2.080902 401.3052 2.080500 401.7873 1.821646 402.2694 1.649900 402.7516 1.605150 403.2337 1.619560 403.7158 1.627573 404.1979 1.670330 404.6800 1.611670 405.1621 1.371494 405.6443 0.9923210 406.1264 0.8134560 406.6085 0.8917750 407.0906 1.017597 407.5727 1.063993 408.0548 1.031042 408.5370 0.8945690 409.0191 0.6110990 409.5012 0.2999710 409.9833 0.2186200 410.4654 0.3644790 410.9475 0.4848190 411.4297 0.4285260 411.9118 0.2492520 412.3939 0.1150910 412.8760 2.5852000E-02 413.3581 8.2529997E-03 413.8402 0.2102720 414.3224 0.5087360 414.8045 0.5718730 415.2866 0.1403350 415.7687 0.3682730 416.2508 0.3761410 416.7329 3.2750000E-03 417.2151 0.2662320 417.6972 5.3640001E-02 418.1793 0.5456500 418.6614 0.8152310 419.1435 0.7752190 419.6256 0.6185280 420.1078 0.3253780 420.5899 1.2890000E-02 421.0720 0.1571750 421.5541 3.6621001E-02 422.0362 0.2351590 422.5183 0.2785130 423.0005 0.1641540 423.4826 7.1028002E-02 423.9647 6.2780000E-02 424.4468 7.5692996E-02 424.9289 6.8963997E-02 425.4110 9.3473002E-02 425.8932 2.8628999E-02 426.3753 0.2229900 426.8574 0.5585440 427.3395 0.7260670 427.8216 0.5554030 428.3037 0.4448130 428.7859 0.5658470 429.2680 0.9772930 429.7501 1.192970 430.2322 1.134336 430.7143 0.9917470 431.1964 0.9632020 431.6786 1.059381 432.1607 1.227545 432.6428 1.502790 433.1249 1.818449 433.6070 1.948236 434.0891 1.883032 434.5713 1.742872 435.0534 1.554813 435.5355 1.345314 436.0176 1.236591 436.4997 1.242682 436.9818 1.336184 437.4640 1.584244 437.9461 1.911369 438.4282 2.072479 438.9103 1.811483 439.3924 1.431250 439.8745 1.324585 440.3566 1.466097 440.8387 1.640091 441.3209 1.756174 441.8030 1.808270 442.2851 1.767359 442.7672 1.559689 443.2493 1.412584 443.7314 1.553988 444.2136 1.827671 444.6957 1.947111 445.1778 1.651924 445.6599 1.339388 446.1420 1.165888 446.6241 1.149393 447.1063 1.163355 447.5884 1.217834 448.0705 1.278769 448.5526 1.322733 449.0347 1.417013 449.5168 1.395449 449.9990 1.193892 450.4811 0.8770430 450.9632 0.6245000 451.4453 0.4191970 451.9274 0.3107990 452.4095 0.3790020 452.8917 0.6557920 453.3738 0.6445960 453.8559 0.2501070 454.3380 0.2056160 454.8201 0.3522450 455.3022 0.1860390 455.7844 1.6712001E-02 456.2665 0.2301960 456.7486 0.4048120 457.2307 0.3953780 457.7128 0.2149720 458.1949 3.4676000E-02 458.6771 2.1576000E-02 459.1592 3.9829998E-03 459.6413 2.2917001E-02 460.1234 9.3728997E-02 460.6055 0.1378480 461.0876 7.5658999E-02 461.5698 5.9319001E-02 462.0519 0.2110120 462.5340 0.4020520 463.0161 0.5643440 463.4982 0.6483420 463.9803 0.6640680 464.4625 0.6574650 464.9446 0.5499760 465.4267 0.4972950 465.9088 0.6219200 466.3909 1.034195 466.8730 1.360395 467.3552 1.485153 467.8373 1.498802 468.3194 1.514774 468.8015 1.530067 469.2836 1.560574 469.7657 1.626389 470.2479 1.718910 470.7300 1.732876 471.2121 1.578503 471.6942 1.493929 472.1763 1.655081 472.6584 2.143362 473.1406 2.432217 473.6227 2.430378 474.1048 2.318853 474.5869 2.361868 475.0690 2.545444 475.5511 2.713619 476.0333 2.804842 476.5154 2.837456 476.9975 2.852041 477.4796 2.854673 477.9617 2.838707 478.4438 2.730244 478.9260 2.597530 479.4081 2.595667 479.8902 2.762413 480.3723 2.975090 480.8544 3.080851 481.3365 3.168808 481.8187 3.390970 482.3008 4.032085 482.7829 4.631712 483.2650 4.852257 483.7471 4.753515 484.2292 4.772821 484.7114 5.255135 485.1935 5.754938 485.6756 5.973112 486.1577 5.634518 486.6398 5.514721 487.1219 5.818480 487.6041 6.327564 488.0862 6.748484 488.5683 6.975243 489.0504 7.307543 489.5325 7.858484 490.0146 8.584969 490.4968 9.082426 490.9789 9.231117 491.4610 9.451530 491.9431 10.08681 492.4252 11.13653 492.9073 11.99236 493.3895 12.59772 493.8716 13.08893 494.3537 13.59646 494.8358 14.13544 495.3179 14.83328 495.8000 15.81376 496.2822 16.90193 496.7643 17.76698 497.2464 18.46483 497.7285 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