#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:42:14 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1242 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000652.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_1000652 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 R100054 _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 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 R100054.rod _rod_data_source.block 3500000 _rod_database.code 1000652 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 91.53320 0.0000000E+00 92.01532 5.868530 92.49744 0.5834960 92.97955 5.326477 93.46167 14.43872 93.94379 17.79059 94.42590 17.98181 94.90802 17.20435 95.39014 16.35101 95.87225 15.23254 96.35437 14.69171 96.83649 15.29553 97.31860 16.91650 97.80072 19.52899 98.28284 22.58588 98.76495 25.50085 99.24707 28.24860 99.72919 31.27527 100.2113 33.86908 100.6934 34.98737 101.1755 35.34338 101.6577 36.39978 102.1398 39.51477 102.6219 45.03131 103.1040 50.53058 103.5861 56.58020 104.0682 62.10492 104.5504 65.97443 105.0325 68.31305 105.5146 70.73914 105.9967 75.43317 106.4788 83.34674 106.9609 90.53442 107.4431 96.22705 107.9252 101.0446 108.4073 105.7602 108.8894 110.5287 109.3715 115.5200 109.8536 121.2058 110.3358 127.8907 110.8179 134.0284 111.3000 138.2177 111.7821 140.7149 112.2642 144.0858 112.7463 150.5159 113.2285 157.5653 113.7106 162.6852 114.1927 165.1376 114.6748 166.4371 115.1569 168.7511 115.6390 172.7015 116.1212 176.2031 116.6033 178.9653 117.0854 180.9078 117.5675 181.9639 118.0496 182.5312 118.5317 183.0971 119.0139 185.0680 119.4960 190.3782 119.9781 195.6339 120.4602 199.6152 120.9423 202.4185 121.4244 203.6328 121.9066 202.9874 122.3887 200.6238 122.8708 197.6849 123.3529 194.2375 123.8350 190.0455 124.3171 184.7119 124.7993 178.3918 125.2814 171.9182 125.7635 166.1981 126.2456 161.4442 126.7277 156.3765 127.2098 150.5292 127.6920 144.5607 128.1741 139.1704 128.6562 134.5806 129.1383 130.2945 129.6204 125.8776 130.1025 121.3488 130.5847 116.3747 131.0668 110.4347 131.5489 103.8539 132.0310 97.71121 132.5131 91.86121 132.9952 86.98474 133.4774 83.90518 133.9595 82.59933 134.4416 81.27826 134.9237 78.25116 135.4058 73.26883 135.8879 68.20190 136.3701 63.08096 136.8522 58.21078 137.3343 53.95041 137.8164 50.33298 138.2985 46.95938 138.7806 43.08017 139.2628 38.41199 139.7449 33.70245 140.2270 28.54462 140.7091 23.58304 141.1912 19.53833 141.6733 16.75381 142.1555 14.77921 142.6376 12.13535 143.1197 7.865021 143.6018 3.943420 144.0839 0.4887390 144.5660 2.477844 145.0482 4.861847 145.5303 6.526917 146.0124 7.622528 146.4945 9.335571 146.9766 12.77631 147.4587 15.63004 147.9409 16.68542 148.4230 16.19171 148.9051 15.36005 149.3872 14.61719 149.8693 14.24243 150.3514 13.42029 150.8336 11.77634 151.3157 9.781036 151.7978 7.645172 152.2799 5.313995 152.7620 3.247955 153.2441 2.300507 153.7263 1.850586 154.2084 0.7998350 154.6905 1.306061 155.1726 4.242584 155.6547 7.602386 156.1368 11.55347 156.6190 15.63181 157.1011 19.31479 157.5832 22.90463 158.0653 27.05853 158.5474 32.36563 159.0295 38.73010 159.5117 44.87204 159.9938 50.63974 160.4759 56.34589 160.9580 61.90128 161.4401 67.44388 161.9222 73.24600 162.4044 79.54672 162.8865 86.42035 163.3686 93.56812 163.8507 100.6575 164.3328 108.2967 164.8149 117.1419 165.2971 127.0333 165.7792 136.9128 166.2613 145.5721 166.7434 152.3594 167.2255 159.6850 167.7076 167.8220 168.1898 176.2535 168.6719 184.6035 169.1540 192.8261 169.6361 201.0305 170.1182 209.3823 170.6003 217.9088 171.0825 226.5581 171.5646 235.5395 172.0467 244.5446 172.5288 253.2049 173.0109 261.4037 173.4930 269.3104 173.9752 277.1550 174.4573 284.8983 174.9394 292.7861 175.4215 301.5190 175.9036 310.4709 176.3857 318.1683 176.8679 324.1535 177.3500 328.7893 177.8321 332.5558 178.3142 335.4265 178.7963 338.1188 179.2784 341.3266 179.7606 344.9236 180.2427 347.6698 180.7248 348.9672 181.2069 349.4337 181.6890 349.8998 182.1711 350.4551 182.6533 350.1611 183.1354 347.7321 183.6175 342.8642 184.0996 338.2881 184.5817 335.1510 185.0638 332.1661 185.5460 328.7566 186.0281 324.7755 186.5102 320.1595 186.9923 314.5796 187.4744 307.3769 187.9565 300.9901 188.4387 296.2194 188.9208 291.9314 189.4029 287.3780 189.8850 282.2980 190.3671 276.9900 190.8492 271.8684 191.3314 266.7820 191.8135 262.2890 192.2956 258.6868 192.7777 255.4987 193.2598 252.5049 193.7419 249.6028 194.2241 246.5061 194.7062 242.5316 195.1883 236.0835 195.6704 230.5513 196.1525 226.8302 196.6346 223.8146 197.1168 220.1502 197.5989 215.2315 198.0810 209.5178 198.5631 204.4023 199.0452 200.4839 199.5273 196.3336 200.0095 191.5299 200.4916 186.3740 200.9737 181.2832 201.4558 176.3795 201.9379 171.6183 202.4200 166.8844 202.9022 162.0694 203.3843 157.5545 203.8664 153.7160 204.3485 150.2946 204.8306 146.5299 205.3127 142.0120 205.7949 137.3453 206.2770 133.7685 206.7591 131.7689 207.2412 129.7352 207.7233 126.2946 208.2054 121.7760 208.6876 118.2629 209.1697 117.1655 209.6518 117.1324 210.1339 116.0117 210.6160 113.3340 211.0981 110.5813 211.5803 108.9115 212.0624 108.3656 212.5445 108.4641 213.0266 109.6830 213.5087 110.9513 213.9908 111.1551 214.4730 109.9982 214.9551 108.4613 215.4372 107.7207 215.9193 107.9373 216.4014 107.9337 216.8836 106.8512 217.3657 105.6886 217.8478 105.2397 218.3299 105.7139 218.8120 106.4026 219.2941 106.3244 219.7763 105.2800 220.2584 104.1023 220.7405 102.7567 221.2226 101.4368 221.7047 100.3038 222.1868 99.39453 222.6690 98.57877 223.1511 97.74579 223.6332 97.17554 224.1153 95.85663 224.5974 93.14200 225.0795 90.13480 225.5617 87.57019 226.0438 85.67242 226.5259 84.25449 227.0080 83.07864 227.4901 82.66061 227.9722 81.50302 228.4544 78.90701 228.9365 76.06744 229.4186 74.04269 229.9007 73.09067 230.3828 72.59518 230.8649 71.45908 231.3471 68.94020 231.8292 66.92361 232.3113 65.69502 232.7934 64.76523 233.2755 63.75250 233.7576 62.54880 234.2398 61.22267 234.7219 59.91916 235.2040 58.59955 235.6861 57.37561 236.1682 56.49338 236.6503 55.57356 237.1325 54.09657 237.6146 51.96945 238.0967 49.80238 238.5788 48.57268 239.0609 48.93265 239.5430 48.80315 240.0252 47.82707 240.5073 46.48157 240.9894 45.13425 241.4715 43.87552 241.9536 42.93195 242.4357 42.68510 242.9179 43.34906 243.4000 43.80415 243.8821 43.68564 244.3642 43.39276 244.8463 43.45230 245.3284 43.98352 245.8106 44.52310 246.2927 44.47772 246.7748 43.86458 247.2569 43.35715 247.7390 42.88490 248.2211 42.58337 248.7033 42.72316 249.1854 43.38321 249.6675 44.04590 250.1496 44.10085 250.6317 43.67874 251.1138 43.49216 251.5960 43.85982 252.0781 44.46562 252.5602 44.91089 253.0423 45.14848 253.5244 45.20299 254.0065 44.92415 254.4887 44.45610 254.9708 44.25127 255.4529 44.76474 255.9350 45.49310 256.4171 45.62474 256.8992 44.99684 257.3813 44.37119 257.8635 44.59801 258.3456 45.23392 258.8277 45.42102 259.3098 44.50208 259.7919 43.21478 260.2740 42.67697 260.7562 43.04092 261.2383 43.51793 261.7204 43.85776 262.2025 43.98721 262.6846 43.71733 263.1667 42.82373 263.6489 41.72038 264.1310 41.00667 264.6131 40.76375 265.0952 40.54396 265.5773 40.11714 266.0594 39.63235 266.5416 39.18941 267.0237 38.77605 267.5058 38.51654 267.9879 38.71472 268.4700 39.54630 268.9521 40.03101 269.4343 39.41490 269.9164 38.52974 270.3985 38.03342 270.8806 38.10530 271.3627 38.35594 271.8448 38.17795 272.3270 37.38625 272.8091 37.10007 273.2912 38.10132 273.7733 39.38306 274.2554 40.36589 274.7375 40.94907 275.2197 41.36324 275.7018 41.86476 276.1839 42.47981 276.6660 43.01437 277.1481 43.03751 277.6302 43.27986 278.1124 44.43019 278.5945 46.38246 279.0766 48.16609 279.5587 48.82745 280.0408 48.29346 280.5229 47.33459 281.0051 45.67998 281.4872 43.82169 281.9693 41.78482 282.4514 39.68422 282.9335 37.78308 283.4156 36.50723 283.8978 35.88548 284.3799 34.50397 284.8620 31.38138 285.3441 28.44920 285.8262 26.61896 286.3083 25.50867 286.7905 24.17224 287.2726 21.79938 287.7547 18.56375 288.2368 16.27771 288.7189 15.92746 289.2010 15.40460 289.6832 13.89598 290.1653 11.90939 290.6474 10.23880 291.1295 9.380157 291.6116 9.128937 292.0938 8.681870 292.5759 7.954269 293.0580 7.138428 293.5401 6.189423 294.0222 5.213669 294.5043 4.371368 294.9865 3.740280 295.4686 3.193207 295.9507 2.375183 296.4328 0.9423070 296.9149 0.1386570 297.3970 0.5710750 297.8792 0.7575530 298.3613 1.015640 298.8434 1.451721 299.3255 1.989403 299.8076 2.531296 300.2897 3.179993 300.7719 3.577698 301.2540 3.608070 301.7361 3.505753 302.2182 3.322853 302.7003 3.118713 303.1824 3.063759 303.6646 3.442978 304.1467 4.468117 304.6288 5.140724 305.1109 5.405922 305.5930 5.371964 306.0751 4.884521 306.5573 4.112534 307.0394 3.491005 307.5215 3.401352 308.0036 3.843094 308.4857 4.196968 308.9678 4.677681 309.4500 5.010490 309.9321 5.015038 310.4142 4.729103 310.8963 4.280762 311.3784 3.726112 311.8605 3.107758 312.3427 2.628395 312.8248 2.587715 313.3069 2.340813 313.7890 1.490982 314.2711 0.4338530 314.7532 0.2734070 315.2354 0.3392720 315.7175 2.4673000E-02 316.1996 0.1039200 316.6817 0.9642640 317.1638 1.613464 317.6459 1.770638 318.1281 1.785545 318.6102 2.014610 319.0923 2.557884 319.5744 3.184410 320.0565 3.490021 320.5386 3.295486 321.0208 3.187111 321.5029 3.050995 321.9850 3.091087 322.4671 3.463570 322.9492 4.168877 323.4313 5.075066 323.9135 6.104645 324.3956 7.335426 324.8777 8.275558 325.3598 8.656952 325.8419 8.996132 326.3240 9.534187 326.8062 10.20805 327.2883 10.78875 327.7704 11.06320 328.2525 11.05962 328.7346 11.27699 329.2167 11.72034 329.6989 12.41982 330.1810 13.74701 330.6631 15.25091 331.1452 16.23244 331.6273 16.27820 332.1094 15.69255 332.5916 15.42672 333.0737 15.69718 333.5558 15.93257 334.0379 15.89880 334.5200 15.85598 335.0021 16.12572 335.4843 16.79976 335.9664 17.56331 336.4485 17.91592 336.9306 17.78653 337.4127 17.44362 337.8948 16.48811 338.3770 15.65508 338.8591 15.50299 339.3412 16.00739 339.8233 16.63016 340.3055 16.82399 340.7876 16.54626 341.2697 16.26582 341.7518 15.92761 342.2339 15.64849 342.7160 15.64044 343.1982 15.73719 343.6803 15.51325 344.1624 14.50313 344.6445 12.96962 345.1266 12.30786 345.6087 13.11039 346.0909 13.81807 346.5730 14.08165 347.0551 13.92562 347.5372 13.26289 348.0193 11.95055 348.5014 10.46700 348.9836 9.735611 349.4657 9.989845 349.9478 10.23629 350.4299 10.23312 350.9120 10.11229 351.3941 10.00948 351.8763 9.944366 352.3584 9.713760 352.8405 8.919060 353.3226 7.528511 353.8047 6.675903 354.2868 6.955009 354.7690 7.337517 355.2511 7.118576 355.7332 6.413422 356.2153 5.724670 356.6974 5.484924 357.1795 5.527679 357.6617 5.176102 358.1438 4.232140 358.6259 3.288467 359.1080 2.700264 359.5901 2.354149 360.0722 2.084915 360.5544 1.871132 361.0365 1.656342 361.5186 1.347862 362.0007 0.9001460 362.4828 0.3615490 362.9649 0.4237210 363.4471 1.130775 363.9292 1.269951 364.4113 0.6324160 364.8934 6.8145998E-02 365.3755 0.6276780 365.8576 2.044189 366.3398 2.500114 366.8219 1.049210 367.3040 0.6859360 367.7861 0.8422780 368.2682 0.3998340 368.7503 1.474648 369.2325 1.808609 369.7146 1.556999 370.1967 0.8865890 370.6788 0.2286530 371.1609 1.354538 371.6430 2.234207 372.1252 2.892509 372.6073 3.323967 373.0894 3.169159 373.5715 2.975395 374.0536 3.171745 374.5357 3.779594 375.0179 4.725693 375.5000 6.090775 375.9821 7.617241 376.4642 8.718628 376.9463 9.263565 377.4284 9.772774 377.9106 10.39754 378.3927 11.10426 378.8748 11.77405 379.3569 12.34759 379.8390 13.11418 380.3211 14.64400 380.8033 17.19917 381.2854 18.87955 381.7675 18.96024 382.2496 18.53455 382.7317 18.33168 383.2138 18.43393 383.6960 18.73714 384.1781 19.16298 384.6602 19.71906 385.1423 20.54163 385.6244 21.78101 386.1065 23.05928 386.5887 24.35852 387.0708 25.58998 387.5529 26.63216 388.0350 27.43533 388.5171 28.00827 388.9992 28.36262 389.4814 28.24898 389.9635 28.27892 390.4456 28.22326 390.9277 28.46223 391.4098 29.64826 391.8919 31.66391 392.3741 33.45410 392.8562 33.79153 393.3383 32.37237 393.8204 31.87990 394.3025 33.23152 394.7846 34.48627 395.2668 34.95267 395.7489 34.84120 396.2310 34.59557 396.7131 34.45411 397.1952 34.44926 397.6773 34.71295 398.1595 35.52914 398.6416 36.13598 399.1237 36.30479 399.6058 36.33012 400.0879 36.49841 400.5700 36.86300 401.0522 37.21353 401.5343 37.25119 402.0164 36.89808 402.4985 36.66544 402.9806 36.69475 403.4627 36.74785 403.9449 36.75906 404.4270 36.70801 404.9091 36.57834 405.3912 36.39328 405.8733 36.09998 406.3554 35.50595 406.8376 34.49614 407.3197 33.47612 407.8018 32.38272 408.2839 31.45953 408.7660 31.05015 409.2481 31.29018 409.7303 31.73390 410.2124 32.08035 410.6945 32.30688 411.1766 32.04553 411.6587 30.90193 412.1408 29.66239 412.6230 29.10197 413.1051 29.13684 413.5872 29.18739 414.0693 28.99361 414.5514 28.67551 415.0335 28.47368 415.5157 28.42352 415.9978 28.20236 416.4799 27.43779 416.9620 26.37112 417.4441 25.72971 417.9262 25.60071 418.4084 25.81981 418.8905 26.44191 419.3726 27.34479 419.8547 28.27350 420.3368 29.18709 420.8189 29.88744 421.3011 29.97029 421.7832 29.25002 422.2653 28.89865 422.7474 29.02325 423.2295 29.52242 423.7116 30.57939 424.1938 32.10123 424.6759 33.41907 425.1580 33.86865 425.6401 33.47723 426.1222 33.44838 426.6043 33.67255 427.0865 34.30005 427.5686 35.94795 428.0507 37.87370 428.5328 38.92088 429.0149 38.65103 429.4970 37.76498 429.9792 37.49522 430.4613 38.13568 430.9434 38.77969 431.4255 39.54305 431.9076 40.21350 432.3897 40.66615 432.8719 40.91599 433.3540 41.04709 433.8361 41.10794 434.3182 41.11063 434.8003 41.13565 435.2824 41.13159 435.7646 41.24025 436.2467 41.79665 436.7288 42.33029 437.2109 42.28149 437.6930 41.47105 438.1751 40.33394 438.6573 39.37621 439.1394 38.60921 439.6215 37.85915 440.1036 37.00032 440.5857 36.27762 441.0678 35.91750 441.5500 35.83340 442.0321 35.69899 442.5142 35.42728 442.9963 34.97064 443.4784 34.20180 443.9605 33.09483 444.4427 31.87102 444.9248 30.61792 445.4069 29.32187 445.8890 27.93486 446.3711 26.34456 446.8532 24.95956 447.3354 24.05878 447.8175 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