#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:23:44 +0300 (Thu, 24 May 2018) $ #$Revision: 707 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000216.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_1000216 loop_ _publ_author_name 'Burns, P. C.' 'Hawthorne, F. C.' _publ_section_title ; Edge-sharing MnO4 tetrahedra in the structure of akatoreite, Mn9Al2Si8O24(OH)8 ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 321 _journal_page_last 329 _journal_volume 31 _journal_year 1993 _chemical_compound_source R060230 _chemical_formula_sum 'Al2 H8 Mn9 O32 Si8' _chemical_name_mineral Akatoreite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.46 _cell_angle_beta 93.81 _cell_angle_gamma 104.18 _cell_length_a 8.337 _cell_length_b 10.367 _cell_length_c 7.629 _cell_volume 613.285 _exptl_crystal_density_diffrn 3.501 _cod_original_formula_sum 'Mn9 Al2 Si8 O32 H8' _cod_database_code 9004265 _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 R060230.rod _rod_data_source.block 3500000 _rod_database.code 1000216 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 9004265 COD http://www.crystallography.net/cod/9004265.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 164.3956 0.0000000E+00 164.8777 0.6132690 165.3598 0.8523490 165.8420 0.2531290 166.3241 9.0500002E-04 166.8062 1.249466 167.2883 3.598421 167.7704 7.304824 168.2525 11.68827 168.7346 16.72041 169.2168 22.23842 169.6989 27.40460 170.1810 32.40765 170.6631 36.55118 171.1452 39.02239 171.6273 38.97844 172.1095 37.59968 172.5916 35.30605 173.0737 32.18808 173.5558 29.43613 174.0379 27.94359 174.5201 27.37409 175.0022 27.18010 175.4843 27.86138 175.9664 28.42654 176.4485 27.57587 176.9306 25.37984 177.4128 22.79077 177.8949 20.10255 178.3770 17.54162 178.8591 15.58584 179.3412 14.54340 179.8233 14.08144 180.3055 13.63168 180.7876 13.16950 181.2697 13.04372 181.7518 13.73249 182.2339 15.07116 182.7160 16.54422 183.1982 17.32659 183.6803 18.15717 184.1624 20.89013 184.6445 25.66540 185.1266 31.37173 185.6087 37.15135 186.0909 42.96129 186.5730 48.23761 187.0551 53.06413 187.5372 57.22315 188.0193 60.06878 188.5014 61.51717 188.9836 62.38309 189.4657 63.95740 189.9478 65.26250 190.4299 64.84340 190.9120 59.77611 191.3941 51.38922 191.8763 44.91646 192.3584 40.53647 192.8405 37.71555 193.3226 35.25702 193.8047 32.67675 194.2868 31.05474 194.7690 30.88715 195.2511 32.05016 195.7332 32.60569 196.2153 32.25813 196.6974 31.91392 197.1795 33.30439 197.6617 36.56205 198.1438 39.91396 198.6259 43.07022 199.1080 46.03134 199.5901 46.67685 200.0722 44.46564 200.5544 40.69619 201.0365 37.66652 201.5186 35.43301 202.0007 33.42098 202.4828 31.40088 202.9649 29.36780 203.4471 27.29807 203.9292 25.13397 204.4113 22.95684 204.8934 20.78312 205.3755 18.49435 205.8576 16.72018 206.3398 15.91715 206.8219 16.25612 207.3040 16.41855 207.7861 16.42077 208.2682 16.20417 208.7503 15.68863 209.2325 14.94569 209.7146 13.71871 210.1967 11.68549 210.6788 8.553455 211.1609 6.133451 211.6430 4.721320 212.1252 3.825297 212.6073 2.265689 213.0894 0.2513900 213.5715 2.637446 214.0536 2.785178 214.5357 1.935440 215.0179 1.010477 215.5000 0.2163920 215.9821 1.390975 216.4642 1.569594 216.9463 0.2619900 217.4284 0.9811390 217.9105 1.390989 218.3927 0.5539700 218.8748 0.2567690 219.3569 0.6913210 219.8390 1.549837 220.3211 2.082589 220.8032 1.909348 221.2854 2.120693 221.7675 3.194755 222.2496 2.050323 222.7317 0.4616150 223.2138 3.732440 223.6959 7.263832 224.1781 10.12978 224.6602 12.23182 225.1423 13.73243 225.6244 14.55796 226.1065 14.41739 226.5886 14.48677 227.0708 14.76005 227.5529 15.51614 228.0350 16.56756 228.5171 18.05619 228.9992 19.53365 229.4813 20.80848 229.9635 21.94271 230.4456 23.16414 230.9277 24.63564 231.4098 26.09896 231.8919 26.94707 232.3740 26.42569 232.8562 26.52698 233.3383 28.17303 233.8204 32.11058 234.3025 35.14687 234.7846 36.97783 235.2667 38.08721 235.7489 39.27460 236.2310 40.50189 236.7131 41.88165 237.1952 43.66034 237.6773 46.23614 238.1594 47.58313 238.6416 47.04883 239.1237 45.69218 239.6058 45.27981 240.0879 46.49829 240.5700 47.55140 241.0521 47.84820 241.5343 47.21521 242.0164 46.63257 242.4985 46.50003 242.9806 46.13289 243.4627 44.30586 243.9448 39.61345 244.4270 35.86994 244.9091 34.65198 245.3912 36.84079 245.8733 36.54631 246.3554 32.42045 246.8375 26.86535 247.3197 23.06962 247.8018 21.83222 248.2839 20.93040 248.7660 19.95046 249.2481 18.94520 249.7302 17.32618 250.2124 14.39972 250.6945 11.50418 251.1766 10.28743 251.6587 11.71751 252.1408 12.96285 252.6229 13.28935 253.1051 12.61763 253.5872 12.42716 254.0693 13.08059 254.5514 13.81957 255.0335 13.76035 255.5156 12.36253 255.9978 11.37239 256.4799 11.36328 256.9620 12.31582 257.4441 12.30383 257.9262 10.88294 258.4083 9.061540 258.8904 7.777581 259.3726 7.255445 259.8547 6.651675 260.3368 5.653828 260.8189 4.352106 261.3010 3.987844 261.7831 5.052613 262.2653 6.278276 262.7474 6.530375 263.2295 5.300663 263.7116 4.586025 264.1937 4.668987 264.6758 5.484366 265.1580 6.771350 265.6401 8.764135 266.1222 10.78601 266.6043 12.29963 267.0864 13.11475 267.5685 14.15073 268.0507 15.46654 268.5328 17.18200 269.0149 19.54025 269.4970 22.80210 269.9791 25.85164 270.4612 27.77857 270.9434 28.36660 271.4255 29.31563 271.9076 31.14595 272.3897 33.50217 272.8718 35.18464 273.3539 35.94911 273.8361 36.42028 274.3182 37.24086 274.8003 38.68533 275.2824 38.94936 275.7645 37.78627 276.2466 35.54740 276.7288 32.60370 277.2109 28.76430 277.6930 25.21674 278.1751 22.67351 278.6572 21.17489 279.1393 19.39083 279.6215 17.35545 280.1036 15.30793 280.5857 13.31430 281.0678 11.25325 281.5499 9.139317 282.0320 6.851154 282.5142 4.440573 282.9963 2.905301 283.4784 2.483236 283.9605 2.217090 284.4426 0.4159370 284.9247 2.652837 285.4069 0.4853270 285.8890 0.9941000 286.3711 2.012315 286.8532 0.4469460 287.3353 8.7879999E-03 287.8174 3.6309998E-02 288.2996 0.4302500 288.7817 1.141457 289.2638 1.785271 289.7459 2.273531 290.2280 2.621737 290.7101 2.771905 291.1923 2.703923 291.6744 2.820038 292.1565 3.545416 292.6386 4.786283 293.1207 6.097911 293.6028 7.457099 294.0850 8.742920 294.5671 9.860239 295.0492 10.79317 295.5313 11.38900 296.0134 11.36984 296.4955 10.90065 296.9777 10.39191 297.4598 9.804666 297.9419 9.426347 298.4240 9.919826 298.9061 11.11765 299.3882 12.15442 299.8704 12.29756 300.3525 11.96414 300.8346 12.00048 301.3167 12.55987 301.7988 13.25062 302.2809 13.82961 302.7631 14.23653 303.2452 14.29775 303.7273 13.45320 304.2094 12.39953 304.6915 12.17320 305.1736 12.87553 305.6558 13.81316 306.1379 14.19202 306.6200 14.37833 307.1021 15.05899 307.5842 17.01797 308.0663 19.28094 308.5485 20.97894 309.0306 22.09458 309.5127 22.94837 309.9948 23.47126 310.4769 23.93596 310.9590 24.68832 311.4412 25.94372 311.9233 27.54140 312.4054 29.75728 312.8875 32.40508 313.3696 34.40980 313.8517 34.91317 314.3339 34.59389 314.8160 33.99017 315.2981 33.02244 315.7802 32.32725 316.2623 32.68784 316.7444 33.64004 317.2266 33.92566 317.7087 32.70667 318.1908 30.87359 318.6729 28.91744 319.1550 26.85763 319.6371 24.83265 320.1193 23.18832 320.6014 21.56587 321.0835 19.35214 321.5656 15.56600 322.0477 11.83720 322.5298 8.660370 323.0120 6.009518 323.4941 4.252429 323.9762 4.490485 324.4583 5.265738 324.9404 5.004886 325.4225 2.018653 325.9047 0.5896850 326.3868 0.8780380 326.8689 0.5382090 327.3510 0.8166630 327.8331 9.1020003E-02 328.3152 2.126964 328.7974 2.575135 329.2795 0.6302220 329.7616 0.1237760 330.2437 1.010760 330.7258 0.6682950 331.2079 0.5035720 331.6901 0.7910960 332.1722 0.9933050 332.6543 0.8310910 333.1364 3.3466998E-02 333.6185 0.5959080 334.1006 0.9426990 334.5828 1.133922 335.0649 1.308501 335.5470 0.9303710 336.0291 0.3574100 336.5112 0.5438780 336.9933 1.925050 337.4755 2.890979 337.9576 3.372700 338.4397 3.512146 338.9218 3.379627 339.4039 2.795885 339.8860 2.635062 340.3681 3.378910 340.8503 4.917073 341.3324 5.496687 341.8145 4.907422 342.2966 3.974168 342.7787 3.087471 343.2608 2.511052 343.7430 2.473347 344.2251 3.328254 344.7072 4.728021 345.1893 5.368283 345.6714 5.186876 346.1535 4.718583 346.6357 4.099290 347.1178 3.544710 347.5999 3.968662 348.0820 5.548880 348.5641 7.672752 349.0462 9.281921 349.5284 10.54858 350.0105 11.75815 350.4926 12.75753 350.9747 13.72288 351.4568 15.98191 351.9389 19.70236 352.4211 23.00008 352.9032 23.52091 353.3853 22.16401 353.8674 20.99822 354.3495 20.81103 354.8316 21.26929 355.3138 22.03883 355.7959 22.96750 356.2780 24.12924 356.7601 26.02854 357.2422 27.97592 357.7243 29.01683 358.2065 28.35740 358.6886 27.53864 359.1707 27.98310 359.6528 29.20170 360.1349 29.72057 360.6170 27.66385 361.0992 25.38169 361.5813 24.80601 362.0634 26.85481 362.5455 28.47096 363.0276 28.81280 363.5097 27.86884 363.9919 25.62384 364.4740 20.43328 364.9561 15.41211 365.4382 11.82268 365.9203 9.816984 366.4024 8.032507 366.8846 6.279572 367.3667 4.582584 367.8488 2.962666 368.3309 1.057756 368.8130 0.3513010 369.2951 0.3961450 369.7773 0.3834360 370.2594 0.4409750 370.7415 0.4902980 371.2236 0.6979960 371.7057 0.3308990 372.1878 0.5848210 372.6700 1.371371 373.1521 1.939460 373.6342 2.412019 374.1163 3.039231 374.5984 3.925956 375.0805 4.730579 375.5627 5.245584 376.0448 5.406944 376.5269 6.075258 377.0090 7.330235 377.4911 8.949531 377.9732 10.84677 378.4554 13.09406 378.9375 15.02573 379.4196 16.44279 379.9017 17.47676 380.3838 18.56971 380.8659 19.67914 381.3481 21.11579 381.8302 23.35237 382.3123 26.24228 382.7944 28.61391 383.2765 30.27763 383.7586 31.54057 384.2408 32.80933 384.7229 34.23491 385.2050 36.26262 385.6871 40.33766 386.1692 44.90260 386.6513 47.01201 387.1335 46.40638 387.6156 44.95650 388.0977 44.09723 388.5798 43.70629 389.0619 43.44010 389.5440 43.25701 390.0262 43.02192 390.5083 42.72086 390.9904 42.32850 391.4725 41.62715 391.9546 40.19505 392.4367 38.57498 392.9189 37.36923 393.4010 37.10622 393.8831 36.32515 394.3652 33.73593 394.8473 30.21031 395.3294 27.24452 395.8116 26.24352 396.2937 25.14220 396.7758 22.81277 397.2579 19.01044 397.7400 15.88253 398.2221 14.36785 398.7043 13.45654 399.1864 12.33567 399.6685 10.77372 400.1506 9.176704 400.6327 7.685683 401.1148 6.221585 401.5970 4.361760 402.0791 1.631502 402.5612 0.9241300 403.0433 1.872846 403.5254 0.8733580 404.0075 0.1195090 404.4897 1.514845 404.9718 2.532419 405.4539 1.587027 405.9360 2.278603 406.4181 0.2462520 406.9002 0.8126650 407.3824 0.6728700 407.8645 2.446689 408.3466 0.3131860 408.8287 1.482729 409.3108 1.840229 409.7929 0.8298090 410.2751 4.5474999E-02 410.7572 0.4981850 411.2393 0.7940490 411.7214 1.238274 412.2035 1.864473 412.6856 2.285887 413.1678 4.2621002E-02 413.6499 3.018802 414.1320 5.728034 414.6141 8.211023 415.0962 9.820080 415.5783 9.068811 416.0605 7.134942 416.5426 6.246089 417.0247 7.940701 417.5068 10.34958 417.9889 11.79847 418.4710 12.49599 418.9532 13.44166 419.4353 15.43015 419.9174 17.72338 420.3995 19.68606 420.8816 21.11140 421.3637 22.47774 421.8459 23.85403 422.3280 25.28871 422.8101 26.88598 423.2922 29.02603 423.7743 30.95483 424.2564 32.58003 424.7386 33.92221 425.2207 34.38152 425.7028 33.33601 426.1849 31.76063 426.6670 30.19116 427.1491 28.66365 427.6313 27.31894 428.1134 26.39034 428.5955 25.62951 429.0776 24.29297 429.5597 22.12813 430.0418 20.03878 430.5240 18.11305 431.0061 16.27517 431.4882 15.83161 431.9703 17.44230 432.4524 18.98886 432.9345 17.36750 433.4167 12.45678 433.8988 9.124539 434.3809 8.948684 434.8630 10.71852 435.3451 11.57624 435.8272 11.54688 436.3094 11.41354 436.7915 11.59673 437.2736 12.09747 437.7557 12.76195 438.2378 13.56414 438.7199 14.94259 439.2020 17.77814 439.6841 21.50207 440.1663 24.94887 440.6484 27.17018 441.1305 29.30491 441.6126 32.31117 442.0947 36.07554 442.5768 39.90845 443.0590 43.37679 443.5411 46.84831 444.0232 50.59954 444.5053 54.71082 444.9874 59.04386 445.4695 63.32979 445.9517 67.79984 446.4338 72.87898 446.9159 78.46671 447.3980 84.87000 447.8801 92.41766 448.3622 101.2406 448.8444 109.6154 449.3265 117.1609 449.8086 124.6275 450.2907 132.4840 450.7728 140.8635 451.2549 149.6159 451.7371 159.1899 452.2192 168.7858 452.7013 176.6003 453.1834 182.4721 453.6655 186.9624 454.1476 190.3744 454.6298 192.6295 455.1119 193.0856 455.5940 191.8533 456.0761 188.1874 456.5582 180.8615 457.0403 170.2715 457.5225 158.3059 458.0046 145.0402 458.4867 131.5902 458.9688 119.6565 459.4509 109.1066 459.9330 99.91283 460.4152 92.64344 460.8973 86.17003 461.3794 78.95101 461.8615 70.75877 462.3436 63.67812 462.8257 59.55224 463.3079 57.18842 463.7900 55.07452 464.2721 52.67601 464.7542 50.73332 465.2363 49.67885 465.7184 49.25642 466.2006 49.10147 466.6827 49.03370 467.1648 49.06668 467.6469 49.19235 468.1290 49.28830 468.6111 49.85848 469.0933 51.01344 469.5754 52.57949 470.0575 54.45543 470.5396 56.84374 471.0217 59.34919 471.5038 61.96541 471.9860 64.48642 472.4681 66.21290 472.9502 67.03416 473.4323 67.43269 473.9144 67.80679 474.3965 68.12288 474.8787 67.19853 475.3608 64.94023 475.8429 61.88721 476.3250 58.54276 476.8071 54.91087 477.2892 50.95174 477.7714 46.51026 478.2535 42.01924 478.7356 38.22615 479.2177 34.98429 479.6998 31.75515 480.1819 27.88003 480.6641 24.00492 481.1462 20.80067 481.6283 18.31109 482.1104 16.41962 482.5925 15.41438 483.0746 14.83420 483.5568 14.20197 484.0389 13.75475 484.5210 12.85318 485.0031 11.01796 485.4852 8.557413 485.9673 6.369349 486.4495 4.123378 486.9316 2.635175 487.4137 2.384741 487.8958 3.732641 488.3779 4.455357 488.8600 4.364841 489.3422 3.827119 489.8243 3.078027 490.3064 1.984265 490.7885 1.119562 491.2706 0.5158370 491.7527 0.2100760 492.2349 0.5355970 492.7170 1.586884 493.1991 2.162465 493.6812 1.122186 494.1633 0.9427680 494.6454 1.389436 495.1276 9.7170003E-02 495.6097 1.435308 496.0918 1.906070 496.5739 1.554925 497.0560 0.8861500 497.5381 0.1684040 498.0203 1.106000 498.5024 1.520217 498.9845 1.481683 499.4666 1.149822 499.9487 0.3799620 500.4308 0.5285480 500.9130 1.497520 501.3951 2.463337 501.8772 3.266325 502.3593 3.861297 502.8414 4.249988 503.3235 4.485569 503.8057 4.291499 504.2878 4.426118 504.7699 5.050023 505.2520 5.920036 505.7341 6.640014 506.2162 7.273235 506.6984 7.686167 507.1805 7.625674 507.6626 7.206744 508.1447 7.771851 508.6268 9.670974 509.1089 11.49084 509.5911 11.89802 510.0732 11.02185 510.5553 11.07312 511.0374 12.42989 511.5195 14.13663 512.0016 14.91475 512.4838 14.96514 512.9659 15.01990 513.4480 15.10467 513.9301 15.52639 514.4122 17.09660 514.8943 19.44744 515.3765 21.27273 515.8586 21.80538 516.3407 21.69580 516.8228 20.72116 517.3049 18.68772 517.7870 17.19207 518.2692 17.99097 518.7513 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