#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:17:19 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1063 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000508.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_1000508 loop_ _publ_author_name 'Moore, P. B.' 'Araki, T.' _publ_section_title ; Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure ; _journal_name_full 'American Mineralogist' _journal_page_first 748 _journal_page_last 757 _journal_volume 64 _journal_year 1979 _chemical_compound_source R100041 _chemical_formula_sum 'C As18 Mn26 O57' _chemical_name_mineral Armangite _space_group_IT_number 147 _symmetry_space_group_name_Hall '-P 3' _symmetry_space_group_name_H-M 'P -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 13.491 _cell_length_b 13.491 _cell_length_c 8.855 _cell_volume 1395.750 _exptl_crystal_density_diffrn 4.403 _cod_original_cell_volume 1395.749 _cod_original_formula_sum 'C Mn26 As18 O57' _cod_database_code 9000725 _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 R100041.rod _rod_data_source.block 3500000 _rod_database.code 1000508 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 9000725 COD http://www.crystallography.net/cod/9000725.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.49219 0.0000000E+00 90.97430 0.8518100 91.45642 8.0792002E-02 91.93854 2.202742 92.42065 5.781114 92.90277 7.767318 93.38489 7.826334 93.86700 7.066313 94.34912 6.607696 94.83124 6.392165 95.31335 6.338428 95.79547 6.489595 96.27759 6.777978 96.75970 6.844344 97.24182 6.463851 97.72394 5.995486 98.20605 6.447311 98.68817 8.035732 99.17029 9.701544 99.65240 10.50162 100.1345 10.42598 100.6166 10.69553 101.0988 11.63964 101.5809 13.14373 102.0630 14.12682 102.5451 14.70188 103.0272 15.05712 103.5093 15.04139 103.9915 14.54136 104.4736 14.15693 104.9557 14.14278 105.4378 14.53189 105.9199 14.75635 106.4020 14.65568 106.8842 14.49526 107.3663 14.83807 107.8484 16.62850 108.3305 19.22864 108.8126 21.88799 109.2947 23.87964 109.7769 25.62492 110.2590 27.28767 110.7411 28.78328 111.2232 29.94521 111.7053 29.66583 112.1874 28.81474 112.6696 27.86466 113.1517 28.59681 113.6338 28.56071 114.1159 26.83365 114.5980 23.70263 115.0801 21.22052 115.5623 20.28636 116.0444 19.99055 116.5265 19.62687 117.0086 19.19560 117.4907 18.51447 117.9728 17.37807 118.4550 15.76822 118.9371 14.29796 119.4192 13.52222 119.9013 12.99071 120.3834 12.11482 120.8655 10.26798 121.3477 8.233181 121.8298 6.542405 122.3119 5.247832 122.7940 4.222141 123.2761 3.619803 123.7582 3.239855 124.2404 2.635444 124.7225 1.345011 125.2046 0.2273880 125.6867 1.613532 126.1688 2.775112 126.6509 3.675469 127.1331 4.217227 127.6152 4.434488 128.0973 4.495368 128.5794 4.450990 129.0615 4.334542 129.5436 4.205642 130.0258 4.020569 130.5079 3.891819 130.9900 4.118328 131.4721 4.705877 131.9542 5.187065 132.4363 5.151144 132.9185 4.639061 133.4006 3.926805 133.8827 3.031996 134.3648 2.014103 134.8469 1.043604 135.3290 0.1867010 135.8112 0.9181580 136.2933 2.760952 136.7754 5.395222 137.2575 8.078533 137.7396 10.48880 138.2217 12.58850 138.7039 15.27398 139.1860 18.72330 139.6681 22.49336 140.1502 26.09343 140.6323 29.55022 141.1144 32.60378 141.5966 35.12382 142.0787 37.01690 142.5608 38.68847 143.0429 40.04593 143.5250 41.22893 144.0071 42.51590 144.4893 43.82941 144.9714 45.34226 145.4535 47.10521 145.9356 49.20518 146.4177 51.41820 146.8998 53.57170 147.3820 55.81770 147.8641 58.95782 148.3462 63.61757 148.8283 68.76460 149.3104 74.10174 149.7925 79.89776 150.2747 85.53025 150.7568 90.85275 151.2389 95.88213 151.7210 100.8085 152.2031 105.5415 152.6852 110.1694 153.1674 114.8070 153.6495 119.7497 154.1316 124.3466 154.6137 128.5573 155.0958 132.3816 155.5779 135.6931 156.0601 137.9893 156.5422 139.9957 157.0243 142.2955 157.5064 145.1027 157.9885 148.1123 158.4706 151.3750 158.9528 154.9505 159.4349 158.2217 159.9170 160.2221 160.3991 162.0748 160.8812 165.0774 161.3633 170.9129 161.8455 176.9302 162.3276 181.6279 162.8097 184.3284 163.2918 188.0571 163.7739 194.7777 164.2560 202.8529 164.7382 208.3916 165.2203 210.8156 165.7024 213.3503 166.1845 217.8214 166.6666 224.9920 167.1487 232.3002 167.6309 238.6886 168.1130 244.3092 168.5951 249.3384 169.0772 253.4400 169.5593 257.3012 170.0414 261.6310 170.5236 266.9117 171.0057 271.9024 171.4878 275.6831 171.9699 278.4889 172.4520 280.9381 172.9341 282.9725 173.4163 285.0432 173.8984 287.7840 174.3805 291.7512 174.8626 295.7308 175.3447 298.4098 175.8268 300.0501 176.3090 301.9018 176.7911 305.1625 177.2732 309.1088 177.7553 312.5637 178.2374 315.2810 178.7195 317.3190 179.2017 318.6571 179.6838 319.3488 180.1659 319.6855 180.6480 319.8649 181.1301 319.8848 181.6122 319.7775 182.0944 319.7297 182.5765 319.3806 183.0586 318.0303 183.5407 315.6983 184.0228 312.9605 184.5049 310.6490 184.9871 308.4801 185.4692 305.3944 185.9513 300.8623 186.4334 295.2905 186.9155 289.4538 187.3976 283.3745 187.8798 277.0434 188.3619 270.5539 188.8440 263.7998 189.3261 256.5255 189.8082 248.2415 190.2903 239.3819 190.7725 231.3595 191.2546 224.1468 191.7367 217.5156 192.2188 211.1625 192.7009 205.0305 193.1830 199.0943 193.6652 193.3421 194.1473 187.7092 194.6294 182.2011 195.1115 176.8829 195.5936 171.4736 196.0757 165.2724 196.5579 158.2251 197.0400 151.9155 197.5221 147.4145 198.0042 144.5685 198.4863 140.5362 198.9684 135.0112 199.4506 129.0123 199.9327 124.1289 200.4148 120.4193 200.8969 117.0502 201.3790 113.6998 201.8611 110.3767 202.3433 107.1150 202.8254 103.8950 203.3075 100.7468 203.7896 97.78120 204.2717 95.00706 204.7538 92.28156 205.2360 89.37573 205.7181 86.17758 206.2002 83.91789 206.6823 82.90295 207.1644 82.45366 207.6465 81.20964 208.1287 78.92274 208.6108 76.74806 209.0929 75.26308 209.5750 74.61984 210.0571 73.84682 210.5392 72.90709 211.0214 71.87407 211.5035 70.90790 211.9856 70.05760 212.4677 69.16681 212.9498 68.01674 213.4319 66.36139 213.9140 65.64565 214.3962 66.38792 214.8783 67.74835 215.3604 67.67863 215.8425 65.71611 216.3246 63.37198 216.8067 61.23715 217.2889 59.29453 217.7710 57.67653 218.2531 56.47206 218.7352 55.54355 219.2173 54.54372 219.6994 53.41734 220.1816 52.31459 220.6637 51.33701 221.1458 50.62735 221.6279 49.58380 222.1100 47.96338 222.5921 46.09920 223.0743 44.86296 223.5564 44.50529 224.0385 44.35701 224.5206 44.16687 225.0027 44.04832 225.4848 43.55923 225.9670 42.42712 226.4491 41.01353 226.9312 40.34671 227.4133 40.93991 227.8954 41.45082 228.3775 41.15286 228.8597 39.48589 229.3418 38.40385 229.8239 38.16510 230.3060 38.44917 230.7881 38.33887 231.2702 37.52855 231.7524 36.77483 232.2345 36.45221 232.7166 36.77037 233.1987 37.01968 233.6808 37.18829 234.1629 37.28662 234.6451 37.35625 235.1272 37.43991 235.6093 37.43776 236.0914 37.22377 236.5735 36.39636 237.0556 36.38077 237.5378 37.70030 238.0199 39.71216 238.5020 40.62625 238.9841 39.50168 239.4662 38.66408 239.9483 39.19717 240.4305 41.86694 240.9126 44.00702 241.3947 45.43230 241.8768 46.43753 242.3589 47.75720 242.8410 49.77444 243.3232 51.51456 243.8053 52.38060 244.2874 51.55467 244.7695 51.83301 245.2516 53.70714 245.7337 56.49176 246.2159 58.66914 246.6980 60.06490 247.1801 61.19771 247.6622 62.19930 248.1443 62.91991 248.6264 63.88660 249.1086 65.28703 249.5907 66.83937 250.0728 67.96216 250.5549 68.52121 251.0370 68.92500 251.5191 69.31595 252.0013 69.69302 252.4834 70.03607 252.9655 70.37984 253.4476 70.66609 253.9297 70.75397 254.4118 70.62485 254.8940 70.32539 255.3761 69.88350 255.8582 69.32172 256.3403 68.50557 256.8224 67.41028 257.3046 66.08337 257.7867 64.57664 258.2688 62.71722 258.7509 61.02629 259.2330 59.72066 259.7151 58.85699 260.1973 58.09666 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4.774338 287.6779 2.384750 288.1600 0.1746670 288.6422 0.4125980 289.1243 0.3972930 289.6064 1.043884 290.0885 1.411224 290.5706 1.556076 291.0527 1.518753 291.5349 1.309296 292.0170 1.052658 292.4991 0.8772430 292.9812 0.7221980 293.4633 0.3792880 293.9454 0.1701510 294.4276 0.8805240 294.9097 1.812042 295.3918 2.905594 295.8739 3.815186 296.3560 4.409744 296.8381 4.682220 297.3203 4.416794 297.8024 3.527664 298.2845 2.668900 298.7666 2.591599 299.2487 3.125916 299.7308 3.742172 300.2130 4.407639 300.6951 4.943787 301.1772 5.036270 301.6593 4.694092 302.1414 4.241226 302.6235 3.785690 303.1057 3.404968 303.5878 3.256592 304.0699 3.699188 304.5520 4.208862 305.0341 4.192963 305.5162 3.682007 305.9984 2.932495 306.4805 1.933670 306.9626 0.8972020 307.4447 0.1750180 307.9268 6.3614003E-02 308.4089 0.1369630 308.8911 0.1377560 309.3732 0.1554110 309.8553 0.5686040 310.3374 2.037567 310.8195 3.780289 311.3016 4.908844 311.7838 4.949081 312.2659 5.015396 312.7480 6.031113 313.2301 7.648376 313.7122 9.015076 314.1943 9.314743 314.6765 9.523895 315.1586 10.46481 315.6407 12.54727 316.1228 14.44104 316.6049 15.11978 317.0870 15.22618 317.5692 15.80417 318.0513 17.70258 318.5334 19.82268 319.0155 21.72549 319.4976 23.39717 319.9797 24.68364 320.4619 25.16727 320.9440 25.36325 321.4261 25.85353 321.9082 27.17644 322.3903 28.45065 322.8724 29.39453 323.3546 29.98409 323.8367 30.51224 324.3188 30.98842 324.8009 31.46387 325.2830 31.97659 325.7651 32.38655 326.2473 33.00233 326.7294 34.16611 327.2115 35.74434 327.6936 36.67319 328.1757 36.11308 328.6578 35.45554 329.1400 35.38857 329.6221 36.36824 330.1042 37.33434 330.5863 38.49161 331.0684 39.63647 331.5505 40.12036 332.0327 39.25479 332.5148 38.53702 332.9969 38.64520 333.4790 40.09357 333.9611 40.94434 334.4432 41.04552 334.9254 40.63171 335.4075 40.06178 335.8896 39.20075 336.3717 38.45074 336.8538 38.02286 337.3359 37.97235 337.8180 37.55058 338.3001 36.62575 338.7823 35.53754 339.2644 34.68613 339.7465 34.10278 340.2286 33.61538 340.7107 33.30414 341.1928 33.07578 341.6750 32.26513 342.1571 30.73035 342.6392 29.08524 343.1213 27.91563 343.6034 27.24406 344.0855 26.21339 344.5677 24.57958 345.0498 22.62486 345.5319 21.05466 346.0140 19.87350 346.4961 18.92159 346.9782 18.27130 347.4604 17.81499 347.9425 17.02945 348.4246 15.77524 348.9067 14.43105 349.3888 13.70766 349.8709 13.46507 350.3531 12.91916 350.8352 11.19731 351.3173 9.015991 351.7994 7.855789 352.2815 7.825645 352.7636 8.067757 353.2458 8.049805 353.7279 7.685013 354.2100 6.771774 354.6921 4.441277 355.1742 2.100449 355.6563 1.566788 356.1385 2.676414 356.6206 3.665451 357.1027 3.009697 357.5848 1.656830 358.0669 0.7328640 358.5490 0.7678450 359.0312 0.9821400 359.5133 1.052971 359.9954 0.9444660 360.4775 0.5391620 360.9596 0.6803670 361.4417 1.929893 361.9239 2.635574 362.4060 2.504181 362.8881 2.420403 363.3702 2.957695 363.8523 3.677666 364.3344 3.915131 364.8166 2.871063 365.2987 1.866501 365.7808 1.484955 366.2629 1.827850 366.7450 2.151482 367.2271 2.470940 367.7093 2.641945 368.1914 2.541481 368.6735 1.877777 369.1556 1.287666 369.6377 0.9243550 370.1198 0.7486340 370.6020 0.4387210 371.0841 0.1355440 371.5662 0.7253800 372.0483 1.224167 372.5304 1.834541 373.0125 1.934090 373.4947 1.160545 373.9768 7.4310000E-03 374.4589 0.4011760 374.9410 0.2995300 375.4231 1.117241 375.9052 1.659637 376.3874 1.868202 376.8695 2.285728 377.3516 2.943108 377.8337 3.766434 378.3158 4.821480 378.7979 6.199532 379.2801 7.092484 379.7622 7.014206 380.2443 6.309792 380.7264 6.722305 381.2085 8.392776 381.6906 10.17009 382.1728 11.01184 382.6549 11.05897 383.1370 11.15655 383.6191 11.46089 384.1012 11.85781 384.5833 12.18971 385.0655 12.45639 385.5476 12.65936 386.0297 12.50422 386.5118 12.35880 386.9939 13.12557 387.4760 15.01536 387.9582 16.81837 388.4403 17.11201 388.9224 16.49438 389.4045 16.20911 389.8866 17.24458 390.3687 18.50432 390.8509 18.92731 391.3330 18.58178 391.8151 18.32555 392.2972 18.80699 392.7793 19.55666 393.2614 20.14552 393.7436 20.56120 394.2257 20.64601 394.7078 19.94217 395.1899 18.81447 395.6720 18.22133 396.1541 18.97007 396.6363 19.92258 397.1184 20.51926 397.6005 20.56045 398.0826 20.69585 398.5647 21.31219 399.0468 21.97693 399.5290 22.16562 400.0111 21.50016 400.4932 20.71657 400.9753 19.70876 401.4574 18.47923 401.9395 18.11481 402.4217 19.37110 402.9038 20.69122 403.3859 20.97057 403.8680 19.65990 404.3501 18.59172 404.8322 17.86883 405.3144 17.47603 405.7965 17.47333 406.2786 17.99554 406.7607 18.46078 407.2428 18.59927 407.7249 18.40240 408.2071 18.09572 408.6892 17.61630 409.1713 17.20488 409.6534 17.25505 410.1355 17.73978 410.6176 18.14395 411.0998 18.38103 411.5819 18.40051 412.0640 17.99284 412.5461 17.12718 413.0282 16.07937 413.5103 14.79530 413.9925 13.67915 414.4746 13.62832 414.9567 15.08520 415.4388 16.49560 415.9209 15.86077 416.4030 13.96899 416.8852 12.65456 417.3673 13.42928 417.8494 14.75931 418.3315 15.44818 418.8136 15.36244 419.2957 14.82613 419.7779 13.48833 420.2600 12.11432 420.7421 11.42773 421.2242 12.27917 421.7063 13.08087 422.1884 13.42704 422.6706 13.44318 423.1527 13.33735 423.6348 12.88004 424.1169 12.41429 424.5990 12.11996 425.0811 12.06277 425.5633 12.07372 426.0454 12.24522 426.5275 12.49670 427.0096 12.66400 427.4917 12.47689 427.9738 12.57864 428.4560 13.24451 428.9381 14.45946 429.4202 15.28700 429.9023 15.60159 430.3844 15.70970 430.8665 15.67467 431.3487 15.35779 431.8308 15.57045 432.3129 16.61977 432.7950 18.07089 433.2771 18.76201 433.7592 18.63176 434.2414 18.55142 434.7235 19.05769 435.2056 19.97173 435.6877 20.53461 436.1698 20.72818 436.6519 20.77512 437.1341 20.87177 437.6162 20.97693 438.0983 21.00526 438.5804 20.94513 439.0625 20.81216 439.5446 20.48610 440.0268 20.05701 440.5089 19.85139 440.9910 20.27866 441.4731 20.88734 441.9552 21.26077 442.4373 21.30449 442.9195 21.35341 443.4016 21.72250 443.8837 22.14615 444.3658 22.30110 444.8479 21.89697 445.3300 21.40689 445.8122 20.98151 446.2943 20.61142 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