#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:21 +0300 (Thu, 26 Apr 2018) $ #$Revision: 562 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000107.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_1000107 loop_ _publ_author_name 'Araki, T.' 'Moore, P. B.' _publ_section_title ; Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in an oxide matrix ; _journal_name_full 'American Mineralogist' _journal_page_first 1263 _journal_page_last 1273 _journal_volume 66 _journal_year 1981 _chemical_compound_source R100044 _chemical_formula_sum 'As6.3 Cu0.843 Fe H6 Mg0.1 Mn12.9 O33 Si1.7' _chemical_name_mineral Dixenite _space_group_IT_number 146 _symmetry_space_group_name_Hall 'R 3' _symmetry_space_group_name_H-M 'R 3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 8.233 _cell_length_b 8.233 _cell_length_c 37.499 _cell_volume 2201.236 _exptl_crystal_density_diffrn 4.242 _cod_original_sg_symbol_H-M 'R 3' _cod_original_formula_sum 'Mn12.9 Mg.1 Fe Cu.843 Si1.7 As6.3 O33 H6' _cod_database_code 9000836 _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 R100044.rod _rod_data_source.block 3500000 _rod_database.code 1000107 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 9000836 COD http://www.crystallography.net/cod/9000836.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 169.1904 0.0000000E+00 169.6725 1.2779000E-02 170.1547 7.0076004E-02 170.6368 0.2820740 171.1189 0.5324250 171.6010 0.6656880 172.0831 0.4732360 172.5652 0.1331630 173.0474 5.2574001E-02 173.5295 0.1407320 174.0116 2.9450001E-03 174.4937 0.6193390 174.9758 1.705452 175.4579 2.655785 175.9401 3.114799 176.4222 3.332588 176.9043 3.506165 177.3864 3.590874 177.8685 3.830086 178.3506 4.641396 178.8328 6.220703 179.3149 7.674301 179.7970 8.616806 180.2791 9.341522 180.7612 10.08245 181.2433 10.93674 181.7255 11.81496 182.2076 12.53091 182.6897 13.04544 183.1718 13.44218 183.6539 13.75610 184.1360 13.98154 184.6181 14.21070 185.1003 14.51610 185.5824 14.68667 186.0645 13.93153 186.5466 10.91581 187.0287 8.574242 187.5108 7.618591 187.9930 7.461700 188.4751 7.325974 188.9572 6.765724 189.4393 5.928413 189.9214 5.661743 190.4035 6.534332 190.8857 7.345055 191.3678 7.802376 191.8499 8.051979 192.3320 8.354126 192.8141 8.858070 193.2962 9.552574 193.7784 10.38049 194.2605 11.48388 194.7426 12.53539 195.2247 13.26816 195.7068 13.82977 196.1889 14.70683 196.6711 16.32342 197.1532 18.44155 197.6353 19.86598 198.1174 20.13210 198.5995 20.21584 199.0816 20.53687 199.5638 21.10185 200.0459 21.96544 200.5280 23.37149 201.0101 25.04627 201.4922 26.19172 201.9743 26.58160 202.4565 26.64167 202.9386 26.76543 203.4207 26.96309 203.9028 26.89330 204.3849 26.23843 204.8670 25.22823 205.3492 24.18008 205.8313 23.13182 206.3134 22.09167 206.7955 21.09827 207.2776 20.17686 207.7597 19.19510 208.2419 18.21849 208.7240 17.09930 209.2061 15.61396 209.6882 13.60511 210.1703 11.37580 210.6524 9.410530 211.1346 7.723824 211.6167 6.323227 212.0988 5.201256 212.5809 4.331932 213.0630 3.757973 213.5451 3.535141 214.0273 3.478874 214.5094 3.139420 214.9915 2.246902 215.4736 1.565018 215.9557 1.140739 216.4378 0.9974750 216.9200 1.241264 217.4021 1.933304 217.8842 2.863380 218.3663 3.411118 218.8484 3.111603 219.3305 3.097954 219.8127 3.789658 220.2948 4.695320 220.7769 5.220032 221.2590 5.092522 221.7411 4.615486 222.2232 4.690918 222.7054 6.095322 223.1875 7.150513 223.6696 7.416504 224.1517 7.405678 224.6338 7.798637 225.1159 8.913651 225.5980 10.39423 226.0802 11.21858 226.5623 10.74400 227.0444 10.37832 227.5265 10.29150 228.0086 10.35431 228.4907 10.44090 228.9729 10.51590 229.4550 10.57002 229.9371 10.50572 230.4192 10.11010 230.9013 9.840691 231.3834 9.958321 231.8656 10.26811 232.3477 10.46558 232.8298 10.35529 233.3119 9.968430 233.7940 9.419052 234.2761 8.521301 234.7583 8.050667 235.2404 8.523521 235.7225 9.455696 236.2046 9.953743 236.6867 9.632523 237.1688 9.065376 237.6510 9.377213 238.1331 10.75022 238.6152 11.97030 239.0973 12.58976 239.5794 12.72643 240.0615 12.55652 240.5437 11.96417 241.0258 11.39020 241.5079 11.56451 241.9900 12.55065 242.4721 13.48576 242.9542 13.80934 243.4364 13.70959 243.9185 13.76234 244.4006 14.11434 244.8827 14.72598 245.3648 15.61591 245.8469 16.70264 246.3290 17.58507 246.8112 17.97823 247.2933 18.01511 247.7754 18.02553 248.2575 17.83333 248.7396 17.94872 249.2217 18.97190 249.7039 20.69249 250.1860 22.30479 250.6681 23.42943 251.1502 24.09026 251.6323 24.25695 252.1144 23.48837 252.5966 22.98602 253.0787 23.64114 253.5608 25.10870 254.0429 26.52245 254.5250 27.34633 255.0071 27.73082 255.4893 27.90502 255.9714 27.63140 256.4535 27.54617 256.9356 28.00842 257.4177 28.80298 257.8998 29.59990 258.3820 30.25570 258.8641 30.76262 259.3462 31.08051 259.8283 31.12630 260.3104 31.10326 260.7925 31.10648 261.2747 31.08835 261.7568 30.98637 262.2389 30.76836 262.7210 30.45564 263.2031 30.11575 263.6852 29.79033 264.1674 29.36467 264.6495 28.74742 265.1316 28.06007 265.6137 27.46964 266.0958 27.05849 266.5779 26.69010 267.0601 25.98687 267.5422 24.57261 268.0243 23.52253 268.5064 23.25170 268.9885 23.21365 269.4706 22.92265 269.9528 22.20932 270.4349 21.25936 270.9170 20.39518 271.3991 19.54438 271.8812 18.96036 272.3633 19.05676 272.8455 19.13094 273.3276 18.51134 273.8097 17.09356 274.2918 15.43779 274.7739 14.44386 275.2560 14.60426 275.7382 14.38242 276.2202 13.56454 276.7024 12.60801 277.1845 11.75317 277.6666 11.05412 278.1487 10.47355 278.6308 9.998184 279.1129 9.735229 279.5951 9.191307 280.0772 7.961197 280.5593 6.842834 281.0414 6.318207 281.5235 6.343712 282.0056 6.560242 282.4878 6.664330 282.9699 6.690048 283.4520 6.319809 283.9341 4.938919 284.4162 3.809357 284.8983 3.737541 285.3805 4.399040 285.8626 4.819504 286.3447 4.176491 286.8268 2.501099 287.3089 1.602005 287.7910 2.508446 288.2732 3.027260 288.7553 2.132072 289.2374 0.4116060 289.7195 0.9477620 290.2016 1.207703 290.6837 0.5829770 291.1659 0.2585530 291.6480 0.6480330 292.1301 0.8563230 292.6122 0.5874400 293.0943 8.8219002E-02 293.5764 0.3340000 294.0586 0.5457380 294.5407 0.5323030 295.0228 0.2519610 295.5049 0.7909550 295.9870 1.496086 296.4691 1.718788 296.9513 1.630890 297.4334 1.285294 297.9155 0.7213290 298.3976 0.2148820 298.8797 0.2748790 299.3618 1.593620 299.8440 2.141594 300.3261 1.136070 300.8082 0.1353000 301.2903 0.5650180 301.7724 2.2353999E-02 302.2545 0.9587480 302.7367 1.470116 303.2188 1.417023 303.7009 1.427521 304.1830 1.793488 304.6651 1.986603 305.1472 1.467636 305.6294 0.3562930 306.1115 0.6373210 306.5936 0.8596880 307.0757 0.2525940 307.5578 1.0666000E-02 308.0399 0.4554140 308.5221 0.8771440 309.0042 1.014015 309.4863 0.8786700 309.9684 0.4579010 310.4505 0.3485720 310.9326 1.378708 311.4148 1.427895 311.8969 0.5209200 312.3790 2.118561 312.8611 2.690498 313.3432 2.566597 313.8253 2.251053 314.3075 1.954872 314.7896 1.701836 315.2717 1.555672 315.7538 1.512772 316.2359 1.587234 316.7180 2.005302 317.2001 2.444000 317.6823 2.504219 318.1644 2.078682 318.6465 1.419014 319.1286 0.8743130 319.6107 0.3934330 320.0928 0.2226330 320.5750 0.5077740 321.0571 0.9897610 321.5392 1.580757 322.0213 2.215500 322.5034 2.710388 322.9855 2.845535 323.4677 2.548653 323.9498 2.428139 324.4319 2.658836 324.9140 2.874825 325.3961 2.815857 325.8782 2.567612 326.3604 2.432304 326.8425 2.638550 327.3246 3.148758 327.8067 3.539764 328.2888 3.672668 328.7709 3.864166 329.2531 4.352501 329.7352 4.924759 330.2173 5.192261 330.6994 4.957840 331.1815 4.421135 331.6636 4.120949 332.1458 3.954979 332.6279 4.192009 333.1100 5.331818 333.5921 6.633362 334.0742 7.243011 334.5563 6.955559 335.0385 6.405418 335.5206 6.548325 336.0027 7.856102 336.4848 8.645905 336.9669 8.680405 337.4490 8.454514 337.9312 8.076462 338.4133 7.680656 338.8954 7.612968 339.3775 8.248375 339.8596 9.666245 340.3417 10.84130 340.8239 11.65465 341.3060 12.37857 341.7881 13.11060 342.2702 13.81668 342.7523 14.35704 343.2344 14.60977 343.7166 14.71518 344.1987 15.36005 344.6808 17.00104 345.1629 18.68134 345.6450 20.95441 346.1271 23.00029 346.6093 23.67845 347.0914 22.59335 347.5735 20.59938 348.0556 19.39479 348.5377 19.12979 349.0198 19.64038 349.5020 21.53403 349.9841 23.57237 350.4662 25.03110 350.9483 25.78505 351.4304 25.99982 351.9125 25.71053 352.3947 24.73033 352.8768 24.42436 353.3589 25.49321 353.8410 26.44789 354.3231 26.68542 354.8052 26.44382 355.2874 26.27013 355.7695 26.52509 356.2516 27.16049 356.7337 27.94472 357.2158 29.32436 357.6979 30.06071 358.1800 29.51721 358.6621 28.58597 359.1443 28.27313 359.6264 28.93832 360.1085 29.88498 360.5906 29.81273 361.0727 28.13007 361.5548 27.11092 362.0370 27.44647 362.5191 28.08952 363.0012 28.56561 363.4833 28.80899 363.9654 28.83496 364.4475 28.45813 364.9297 27.59137 365.4118 27.34558 365.8939 28.60243 366.3760 29.58083 366.8581 29.16055 367.3402 27.93915 367.8224 27.22075 368.3045 27.92841 368.7866 29.46077 369.2687 30.09081 369.7508 29.47096 370.2329 28.98763 370.7151 29.19232 371.1972 29.70137 371.6793 30.22354 372.1614 30.69383 372.6435 30.99278 373.1256 30.85989 373.6078 30.25246 374.0899 29.81055 374.5720 29.28368 375.0541 29.37135 375.5362 31.06795 376.0183 34.16130 376.5005 36.69624 376.9826 36.89066 377.4647 35.42209 377.9468 34.89682 378.4289 35.79424 378.9110 36.94426 379.3932 37.52364 379.8753 37.78458 380.3574 38.19942 380.8395 38.92366 381.3216 39.85851 381.8037 40.90240 382.2859 42.05853 382.7680 43.30722 383.2501 44.82167 383.7322 46.28900 384.2143 47.21725 384.6964 47.44960 385.1786 47.64917 385.6607 48.29486 386.1428 49.19473 386.6249 49.83144 387.1070 50.05725 387.5891 50.07062 388.0713 50.02884 388.5534 49.94806 389.0355 49.97537 389.5176 50.29742 389.9997 50.64299 390.4818 50.74699 390.9640 50.58971 391.4461 50.26224 391.9282 49.81285 392.4103 49.26520 392.8924 48.70966 393.3745 48.14256 393.8567 47.57005 394.3388 46.93102 394.8209 46.27994 395.3030 45.75571 395.7851 45.42607 396.2672 45.20178 396.7494 44.93935 397.2315 44.77705 397.7136 44.17091 398.1957 42.83427 398.6778 41.16399 399.1599 39.30499 399.6420 37.37605 400.1241 35.71895 400.6063 34.67979 401.0884 34.27881 401.5705 33.71123 402.0526 33.10344 402.5347 32.22424 403.0168 30.65234 403.4990 28.83289 403.9811 27.61432 404.4632 27.42140 404.9453 27.67703 405.4274 26.92149 405.9095 24.20743 406.3917 22.07532 406.8738 20.89055 407.3559 20.04698 407.8380 19.10391 408.3201 18.01787 408.8022 17.03833 409.2844 16.48749 409.7665 16.41914 410.2486 15.90547 410.7307 14.36053 411.2128 12.99214 411.6949 12.31775 412.1771 12.01984 412.6592 11.52451 413.1413 10.50444 413.6234 9.284927 414.1055 8.622818 414.5876 8.729843 415.0698 8.743546 415.5519 8.530899 416.0340 8.105591 416.5161 7.251022 416.9982 6.004120 417.4803 5.053177 417.9625 5.212677 418.4446 6.289429 418.9267 6.943527 419.4088 6.984787 419.8909 6.763702 420.3730 6.310806 420.8552 5.786392 421.3373 5.538696 421.8194 5.726990 422.3015 6.194382 422.7836 6.969086 423.2657 8.038925 423.7479 8.556061 424.2300 7.819275 424.7121 6.669281 425.1942 6.477798 425.6763 7.417938 426.1584 8.380310 426.6406 8.875702 427.1227 9.091690 427.6048 9.420120 428.0869 9.954315 428.5690 10.22899 429.0511 9.603271 429.5333 8.109528 430.0154 7.525467 430.4975 8.648621 430.9796 9.937363 431.4617 10.52104 431.9438 10.57393 432.4260 10.67632 432.9081 11.13521 433.3902 11.65392 433.8723 11.49065 434.3544 9.785263 434.8365 8.829422 435.3187 9.388992 435.8008 10.26483 436.2829 10.42885 436.7650 9.805893 437.2471 8.997681 437.7292 8.573776 438.2114 8.546707 438.6935 8.340775 439.1756 8.173981 439.6577 7.575531 440.1398 5.830414 440.6219 3.783127 441.1040 2.706879 441.5862 3.135895 442.0683 4.224731 442.5504 4.384338 443.0325 3.251984 443.5146 2.306580 443.9967 1.845306 444.4789 1.460388 444.9610 0.9560090 445.4431 0.3412930 445.9252 0.2872920 446.4073 0.8768460 446.8894 1.418030 447.3716 1.906479 447.8537 2.422546 448.3358 2.682709 448.8179 2.240433 449.3000 1.618088 449.7821 1.428696 450.2643 1.868881 450.7464 2.409882 451.2285 2.621979 451.7106 2.547424 452.1927 2.323822 452.6748 1.856094 453.1570 1.498779 453.6391 1.767487 454.1212 2.518372 454.6033 3.111435 455.0854 3.575912 455.5675 3.688553 456.0497 3.072342 456.5318 1.836212 457.0139 0.6020510 457.4960 0.3465270 457.9781 1.053925 458.4602 1.619888 458.9424 2.026947 459.4245 2.364639 459.9066 2.661331 460.3887 2.887604 460.8708 2.922211 461.3529 2.791809 461.8351 2.753159 462.3172 3.027908 462.7993 3.614227 463.2814 4.574463 463.7635 6.489441 464.2456 8.085541 464.7278 8.825073 465.2099 9.134735 465.6920 9.597870 466.1741 10.44383 466.6562 11.50728 467.1383 12.51273 467.6205 13.43205 468.1026 14.40329 468.5847 15.49815 469.0668 16.58704 469.5489 17.63039 470.0310 18.61903 470.5132 19.50375 470.9953 20.15033 471.4774 20.77420 471.9595 22.04871 472.4416 24.20544 472.9237 26.14403 473.4059 27.25388 473.8880 28.09172 474.3701 29.14755 474.8522 30.47392 475.3343 31.85715 475.8164 32.92435 476.2986 33.96155 476.7807 35.84685 477.2628 38.81273 477.7449 41.85622 478.2270 44.25914 478.7091 46.10327 479.1913 47.81230 479.6734 49.22104 480.1555 50.70041 480.6376 52.41885 481.1197 54.34753 481.6018 56.37640 482.0839 58.45502 482.5660 60.80641 483.0482 63.82346 483.5303 67.78368 484.0124 71.38652 484.4945 74.17448 484.9766 77.04745 485.4587 80.81360 485.9409 85.07132 486.4230 88.65039 486.9051 90.83932 487.3872 92.35866 487.8693 95.38640 488.3514 101.2834 488.8336 106.1741 489.3157 108.8425 489.7978 111.3081 490.2799 115.1249 490.7620 120.1578 491.2441 125.0192 491.7263 128.3652 492.2084 130.6203 492.6905 133.9217 493.1726 138.6584 493.6547 143.4919 494.1368 147.7604 494.6190 151.8736 495.1011 156.2859 495.5832 161.1047 496.0653 165.9480 496.5474 170.5408 497.0295 174.9001 497.5117 179.0519 497.9938 183.0042 498.4759 186.7149 498.9580 189.9087 499.4401 192.8013 499.9222 196.4712 500.4044 201.5947 500.8865 206.8810 501.3686 211.9855 501.8507 216.7536 502.3328 220.8249 502.8149 224.0430 503.2971 226.9130 503.7792 230.0476 504.2613 233.3161 504.7434 237.5215 505.2255 243.7465 505.7076 249.7341 506.1898 254.3707 506.6719 257.9935 507.1540 261.3145 507.6361 264.6842 508.1182 268.0294 508.6003 271.1818 509.0825 274.0793 509.5646 277.0172 510.0467 280.3935 510.5288 283.5097 511.0109 286.0304 511.4930 287.9280 511.9752 289.2945 512.4573 290.2200 512.9394 290.6692 513.4215 290.4848 513.9036 289.6171 514.3857 288.5945 514.8679 287.3743 515.3500 286.2965 515.8321 286.0802 516.3142 286.9057 516.7963 286.6777 517.2784 283.7997 517.7606 279.6776 518.2427 276.1729 518.7248 273.4730 519.2069 271.0916 519.6890 268.6887 520.1711 266.2798 520.6533 264.1956 521.1354 263.2245 521.6175 261.4902 522.0996 257.9065 522.5817 253.8991 523.0638 251.0474 523.5460 249.4821 524.0281 248.0900 524.5102 245.8393 524.9923 242.8023 525.4744 240.0232 525.9565 238.0138 526.4387 235.5471 526.9208 232.3147 527.4029 228.6206 527.8850 224.7457 528.3671 220.7442 528.8492 216.5691 529.3314 212.0661 529.8135 207.2638 530.2956 202.6783 530.7777 198.5447 531.2598 194.3269 531.7419 189.5697 532.2241 184.5436 532.7062 179.6105 533.1883 174.9607 533.6704 170.1839 534.1525 164.6840 534.6346 158.8339 535.1168 153.6203 535.5989 149.3278 536.0810 145.1347 536.5631 140.1952 537.0452 134.4504 537.5273 129.0749 538.0095 124.2180 538.4916 119.4795 538.9737 114.7076 539.4558 109.9575 539.9379 105.2670 540.4200 100.6691 540.9022 96.22140 541.3843 92.04427 541.8664 88.16024 542.3485 84.38978 542.8306 80.80006 543.3127 77.29825 543.7948 73.87392 544.2769 70.52084 544.7590 67.27246 545.2411 64.14371 545.7233 61.05434 546.2054 57.77014 546.6875 54.33260 547.1696 51.68706 547.6517 50.32908 548.1339 49.12061 548.6160 46.90522 549.0981 44.05608 549.5802 41.59512 550.0623 40.04877 550.5444 38.59674 551.0266 36.75056 551.5087 34.59082 551.9908 32.14584 552.4729 29.39919 552.9550 26.87030 553.4371 25.28567 553.9193 24.86784 554.4014 24.01385 554.8835 22.32507 555.3656 20.71003 555.8477 19.70478 556.3298 18.90336 556.8120 17.60100 557.2941 15.55530 557.7762 13.37251 558.2583 11.93472 558.7404 11.34096 559.2225 10.73584 559.7047 10.07879 560.1868 9.447716 560.6689 8.888832 561.1510 8.373207 561.6331 7.829712 562.1152 7.213242 562.5974 6.641922 563.0795 6.308777 563.5616 6.123909 564.0437 5.722137 564.5258 4.987427 565.0079 4.211533 565.4901 3.626129 565.9722 3.244591 566.4543 3.015091 566.9364 3.227280 567.4185 3.261963 567.9006 2.692062 568.3828 1.875580 568.8649 1.370911 569.3470 1.302391 569.8291 1.273293 570.3112 0.7894820 570.7933 0.1972050 571.2755 0.8148350 571.7576 0.6929470 572.2397 0.6634670 572.7218 1.166191 573.2039 1.747078 573.6860 1.827271 574.1682 1.275848 574.6503 0.5924840 575.1324 0.1650470 575.6145 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