#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:35:50 +0300 (Thu, 26 Apr 2018) $ #$Revision: 490 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000045.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_1000045 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 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 R060230.rod _rod_data_source.block 3500000 _rod_database.code 1000045 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 150.1633 0.0000000E+00 150.6454 0.4808830 151.1275 1.761961 151.6096 2.867934 152.0917 3.210708 152.5739 3.347460 153.0560 4.063303 153.5381 5.646786 154.0202 7.518604 154.5023 8.404840 154.9844 7.660673 155.4665 6.840586 155.9487 6.666038 156.4308 6.468329 156.9129 5.300811 157.3950 2.512969 157.8771 0.4239520 158.3592 0.1959310 158.8414 1.331063 159.3235 3.271595 159.8056 3.522977 160.2877 2.943928 160.7698 2.161691 161.2519 1.431165 161.7341 0.7773450 162.2162 0.2734980 162.6983 0.1439650 163.1804 0.2817300 163.6625 0.6444550 164.1446 1.854926 164.6268 2.264209 165.1089 2.850398 165.5910 3.249234 166.0731 3.943012 166.5552 5.349291 167.0373 6.711784 167.5195 8.203841 168.0016 9.526497 168.4837 10.04401 168.9658 9.213970 169.4479 7.177158 169.9300 6.183330 170.4122 7.304406 170.8943 8.220446 171.3764 7.678873 171.8585 5.901634 172.3406 4.024498 172.8227 2.803493 173.3049 2.257541 173.7870 1.851809 174.2691 1.753109 174.7512 1.675474 175.2333 1.408917 175.7154 0.9433050 176.1976 0.3140840 176.6797 0.7368420 177.1618 0.4283590 177.6439 0.8887160 178.1260 0.1060010 178.6081 0.1179960 179.0903 0.7307590 179.5724 8.5859997E-03 180.0545 0.4867160 180.5366 0.5762280 181.0187 2.443045 181.5008 4.018884 181.9830 4.993026 182.4651 5.653056 182.9472 6.026671 183.4293 5.580131 183.9114 5.481110 184.3935 5.639323 184.8757 6.115969 185.3578 6.480125 185.8399 6.310510 186.3220 5.711729 186.8041 5.827202 187.2862 7.802588 187.7684 9.298315 188.2505 9.230165 188.7326 8.158444 189.2147 7.294571 189.6968 7.708323 190.1789 9.481561 190.6611 10.24924 191.1432 8.725724 191.6253 7.442186 192.1074 7.366882 192.5895 8.266453 193.0716 9.336280 193.5538 9.864581 194.0359 9.756757 194.5180 9.905652 195.0001 10.75772 195.4822 11.40995 195.9643 11.11001 196.4465 10.07122 196.9286 9.356560 197.4107 10.16024 197.8928 12.82716 198.3749 13.61710 198.8570 10.96768 199.3392 7.853415 199.8213 6.247087 200.3034 6.241060 200.7855 6.629351 201.2676 6.331791 201.7497 5.310903 202.2319 4.340888 202.7140 3.353688 203.1961 2.692360 203.6782 1.948693 204.1603 1.124872 204.6424 0.9532850 205.1246 2.275159 205.6067 4.701389 206.0888 6.647161 206.5709 7.768420 207.0530 8.245826 207.5351 8.332897 208.0173 8.109389 208.4994 7.440863 208.9815 5.798500 209.4636 3.629144 209.9457 1.892847 210.4278 1.042575 210.9100 0.8456530 211.3921 0.8861660 211.8742 1.374966 212.3563 1.624039 212.8384 1.107040 213.3205 0.1033020 213.8027 0.5392090 214.2848 0.4750020 214.7669 1.330495 215.2490 1.376739 215.7311 4.2626001E-02 216.2132 0.2859100 216.6954 0.3014930 217.1775 0.6514630 217.6596 0.7612670 218.1417 1.008986 218.6238 4.097953 219.1059 6.290557 219.5881 6.763998 220.0702 7.284277 220.5523 8.515095 221.0344 10.13114 221.5165 11.63605 221.9986 12.57623 222.4808 12.96296 222.9629 13.46358 223.4450 14.34099 223.9271 15.06814 224.4092 15.27283 224.8913 15.26885 225.3735 15.63787 225.8556 16.82335 226.3377 18.71222 226.8198 20.07445 227.3019 20.18892 227.7840 20.51359 228.2662 21.62733 228.7483 23.13449 229.2304 24.35367 229.7125 24.85117 230.1946 24.66357 230.6767 24.16384 231.1589 23.01474 231.6410 21.94560 232.1231 20.87295 232.6052 20.01717 233.0873 19.83951 233.5694 20.69315 234.0516 22.38864 234.5337 23.49866 235.0158 24.20713 235.4979 24.36254 235.9800 23.78604 236.4621 22.72042 236.9443 21.47596 237.4264 20.15219 237.9085 18.86864 238.3906 18.40988 238.8727 19.54527 239.3548 20.40518 239.8370 20.38854 240.3191 19.62432 240.8012 18.34033 241.2833 16.51270 241.7654 14.38003 242.2475 12.60161 242.7297 11.03212 243.2118 9.948164 243.6939 9.848536 244.1760 10.40574 244.6581 10.60448 245.1402 9.935820 245.6224 8.777063 246.1045 7.996860 246.5866 7.884768 247.0687 7.358274 247.5508 5.267716 248.0329 2.171856 248.5151 0.1265090 248.9972 0.1148900 249.4793 1.141132 249.9614 1.644446 250.4435 1.537551 250.9256 1.518186 251.4078 2.308198 251.8899 3.619440 252.3720 4.091639 252.8541 2.911374 253.3362 1.349643 253.8183 0.9895150 254.3005 1.818887 254.7826 2.366783 255.2647 1.222907 255.7468 0.4316500 256.2289 0.8105490 256.7110 0.1044650 257.1931 8.5545003E-02 257.6753 0.3934970 258.1574 5.9687000E-02 258.6395 0.3760120 259.1216 0.5479400 259.6037 0.4678770 260.0858 0.1635140 260.5680 0.5561320 261.0501 1.239136 261.5322 1.531872 262.0143 1.548679 262.4964 1.644862 262.9785 2.011863 263.4607 2.665687 263.9428 3.818590 264.4249 6.100437 264.9070 7.922154 265.3891 8.455242 265.8712 8.063169 266.3534 7.393168 266.8355 6.652634 267.3176 5.954398 267.7997 5.758496 268.2818 6.014599 268.7639 6.893910 269.2461 9.131856 269.7282 11.81070 270.2103 13.47802 270.6924 13.19259 271.1745 11.59827 271.6566 10.86907 272.1388 12.11869 272.6209 12.49611 273.1030 10.55609 273.5851 7.876154 274.0672 6.263547 274.5493 6.526726 275.0315 7.805679 275.5136 7.972400 275.9957 6.480333 276.4778 5.036365 276.9599 3.974206 277.4420 3.078800 277.9242 2.023791 278.4063 0.6967100 278.8884 0.4796660 279.3705 0.4897290 279.8526 1.298671 280.3347 2.388620 280.8169 1.742599 281.2990 0.7949180 281.7811 0.6823880 282.2632 1.646355 282.7453 3.015249 283.2274 3.872766 283.7096 4.239533 284.1917 3.978742 284.6738 2.091719 285.1559 0.4215460 285.6380 0.3744630 286.1201 1.912085 286.6023 3.711872 287.0844 4.089633 287.5665 2.362325 288.0486 1.958159 288.5307 4.405694 289.0128 6.699011 289.4950 7.197680 289.9771 6.171584 290.4592 5.061956 290.9413 5.259995 291.4234 6.919473 291.9055 7.830981 292.3877 7.385627 292.8698 6.816891 293.3519 6.338841 293.8340 6.046798 294.3161 6.081901 294.7982 6.598598 295.2804 7.531115 295.7625 7.998634 296.2446 7.352242 296.7267 6.921286 297.2088 7.146917 297.6909 7.708726 298.1731 8.111703 298.6552 8.079497 299.1373 7.725556 299.6194 7.475011 300.1015 7.228692 300.5836 7.239360 301.0658 7.762328 301.5479 8.452895 302.0300 8.977169 302.5121 9.198238 302.9942 9.158011 303.4763 8.921279 303.9585 8.237447 304.4406 7.737983 304.9227 7.129964 305.4048 6.870119 305.8869 7.552130 306.3690 9.202417 306.8512 11.11177 307.3333 12.27952 307.8154 12.40313 308.2975 12.50112 308.7796 12.65850 309.2617 12.73381 309.7439 12.55281 310.2260 12.16116 310.7081 11.81407 311.1902 11.78749 311.6723 12.16217 312.1544 12.29915 312.6366 12.08668 313.1187 11.77809 313.6008 11.13512 314.0829 10.41395 314.5650 10.34721 315.0471 11.55272 315.5293 13.78139 316.0114 14.33597 316.4935 11.84988 316.9756 9.167743 317.4577 6.478758 317.9398 4.079993 318.4220 2.397373 318.9041 1.659459 319.3862 1.539801 319.8683 0.9851950 320.3504 0.3410600 320.8326 0.8087060 321.3147 0.5695140 321.7968 0.2230950 322.2789 0.4805570 322.7610 0.3916350 323.2431 0.5913840 323.7253 0.5122230 324.2074 0.2672390 324.6895 0.2450040 325.1716 0.6408200 325.6537 0.2150260 326.1358 2.0241000E-02 326.6180 7.7432998E-02 327.1001 0.1548510 327.5822 3.9944001E-02 328.0643 0.6423870 328.5464 0.7999770 329.0285 0.1824260 329.5107 0.4981290 329.9928 0.1889670 330.4749 0.3004890 330.9570 0.3082300 331.4391 0.4601390 331.9212 0.5525790 332.4034 1.654474 332.8855 2.249524 333.3676 2.616503 333.8497 2.624232 334.3318 2.476465 334.8139 2.449263 335.2961 2.683141 335.7782 3.087771 336.2603 3.391422 336.7424 3.446447 337.2245 3.560252 337.7066 3.913500 338.1888 4.279467 338.6709 4.376052 339.1530 4.171878 339.6351 4.040682 340.1172 4.748532 340.5993 7.224442 341.0815 8.093765 341.5636 5.818308 342.0457 3.436659 342.5278 2.730985 343.0099 3.695814 343.4920 5.137590 343.9742 5.875426 344.4563 5.747337 344.9384 5.661523 345.4205 5.938485 345.9026 6.021144 346.3847 5.250361 346.8669 4.264075 347.3490 4.222312 347.8311 5.967594 348.3132 8.912923 348.7953 10.63589 349.2774 10.31832 349.7596 9.932922 350.2417 9.906790 350.7238 10.00361 351.2059 9.878849 351.6880 9.438595 352.1701 8.968137 352.6523 8.855129 353.1344 9.127222 353.6165 9.687465 354.0986 11.01991 354.5807 12.26416 355.0628 12.82899 355.5450 12.72525 356.0271 12.37903 356.5092 12.16566 356.9913 12.09192 357.4734 12.01882 357.9555 12.14536 358.4377 12.02835 358.9198 11.43686 359.4019 10.48541 359.8840 9.365721 360.3661 8.046856 360.8482 6.742169 361.3304 6.149014 361.8125 6.560715 362.2946 7.059773 362.7767 7.815073 363.2588 8.277514 363.7409 7.581646 364.2231 5.300605 364.7052 2.838005 365.1873 2.306102 365.6694 3.984377 366.1515 4.942852 366.6336 3.696909 367.1158 2.168149 367.5979 1.700154 368.0800 2.336534 368.5621 3.462209 369.0442 4.997481 369.5263 6.750061 370.0085 7.678946 370.4906 7.319113 370.9727 6.820721 371.4548 6.954683 371.9369 7.539951 372.4190 8.209991 372.9012 8.961893 373.3833 9.634757 373.8654 9.953424 374.3475 9.888115 374.8296 9.702461 375.3117 9.360031 375.7939 9.057022 376.2760 9.074793 376.7581 9.482345 377.2402 10.10285 377.7223 10.88151 378.2044 11.73300 378.6866 12.53249 379.1687 13.32248 379.6508 14.09334 380.1329 14.84197 380.6150 15.56859 381.0971 16.08855 381.5793 16.34966 382.0614 16.39074 382.5435 16.06294 383.0256 15.31313 383.5077 14.97698 383.9898 15.99343 384.4720 18.06696 384.9541 19.13890 385.4362 18.51048 385.9183 17.47052 386.4004 16.62475 386.8825 15.98344 387.3647 15.56343 387.8468 15.52040 388.3289 15.58161 388.8110 15.02170 389.2931 13.74445 389.7752 12.29810 390.2574 10.19924 390.7395 8.162712 391.2216 7.240893 391.7037 7.628477 392.1858 8.382881 392.6679 8.416214 393.1501 7.544964 393.6322 6.812128 394.1143 6.426524 394.5964 5.974892 395.0785 5.182766 395.5606 4.119891 396.0428 2.968119 396.5249 1.778890 397.0070 0.6813990 397.4891 0.3586910 397.9712 2.079397 398.4533 3.048641 398.9355 2.756339 399.4176 1.662053 399.8997 4.3573000E-02 400.3818 0.2468510 400.8639 1.703693 401.3460 2.404150 401.8282 1.353024 402.3103 0.4117670 402.7924 0.6391350 403.2745 1.067073 403.7566 0.8625220 404.2387 1.128523 404.7209 0.9086730 405.2030 0.4185210 405.6851 7.7846996E-02 406.1672 0.3270960 406.6493 0.2779070 407.1314 2.1800000E-02 407.6136 0.4022070 408.0957 1.003928 408.5778 0.6449300 409.0599 0.6812630 409.5420 1.906438 410.0241 2.180206 410.5063 1.297935 410.9884 0.5568480 411.4705 1.4367000E-02 411.9526 0.2059420 412.4347 0.1001000 412.9168 0.8463430 413.3990 1.652672 413.8811 2.298722 414.3632 2.799082 414.8453 3.221348 415.3274 3.601424 415.8095 3.811934 416.2917 3.639771 416.7738 3.300130 417.2559 3.035321 417.7380 2.827813 418.2201 2.871151 418.7022 3.632418 419.1844 4.992432 419.6665 5.715686 420.1486 5.096602 420.6307 4.141040 421.1128 4.222427 421.5949 5.325492 422.0771 6.270088 422.5592 6.490240 423.0413 6.369670 423.5234 6.357648 424.0055 6.499002 424.4876 6.908407 424.9698 7.886199 425.4519 9.227649 425.9340 9.739429 426.4161 8.438406 426.8982 7.372158 427.3803 7.851624 427.8625 9.199150 428.3446 10.01466 428.8267 9.774641 429.3088 8.821851 429.7909 7.653724 430.2730 5.763534 430.7552 4.773335 431.2373 5.405268 431.7194 6.376249 432.2015 7.005161 432.6836 7.226164 433.1657 7.252687 433.6479 7.202051 434.1300 7.109606 434.6121 7.466949 435.0942 8.717558 435.5763 9.921771 436.0584 11.14285 436.5406 12.15131 437.0227 12.49466 437.5048 12.06871 437.9869 11.56361 438.4690 12.23237 438.9511 14.69648 439.4333 16.30822 439.9154 16.03822 440.3975 15.79447 440.8796 16.54645 441.3617 18.06306 441.8438 19.50987 442.3260 20.21620 442.8081 20.53304 443.2902 21.78052 443.7723 24.55165 444.2544 26.76970 444.7365 26.86120 445.2187 26.53479 445.7008 27.48878 446.1829 30.11608 446.6650 32.97120 447.1471 34.66801 447.6292 35.43062 448.1114 36.49035 448.5935 37.96502 449.0756 39.87961 449.5577 42.63142 450.0398 45.89226 450.5219 48.67101 451.0041 50.75508 451.4862 52.19880 451.9683 53.11362 452.4504 53.46735 452.9325 52.93963 453.4146 51.21513 453.8968 48.73423 454.3789 46.35658 454.8610 43.99643 455.3431 41.97383 455.8252 41.15305 456.3073 40.27925 456.7895 37.47911 457.2716 32.72248 457.7537 28.13523 458.2358 25.49367 458.7179 24.77440 459.2000 24.19562 459.6822 24.48082 460.1643 24.27900 460.6464 22.57254 461.1285 20.30325 461.6106 18.82074 462.0927 18.58459 462.5748 19.10686 463.0569 19.66910 463.5391 20.51420 464.0212 20.67458 464.5033 19.54995 464.9854 18.39341 465.4675 17.60359 465.9496 17.24498 466.4318 17.40441 466.9139 18.19273 467.3960 19.36121 467.8781 20.22463 468.3602 20.62110 468.8423 21.14417 469.3245 22.28569 469.8066 23.41414 470.2887 23.99486 470.7708 23.94355 471.2529 23.75218 471.7350 23.81446 472.2172 24.05016 472.6993 24.25841 473.1814 24.57808 473.6635 24.41609 474.1456 23.37660 474.6277 21.51983 475.1099 18.78652 475.5920 14.14105 476.0741 9.957848 476.5562 8.146924 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5.511063 503.0726 5.882707 503.5547 5.832245 504.0369 5.563809 504.5190 5.845923 505.0011 7.774320 505.4832 8.466125 505.9653 6.250283 506.4474 4.006377 506.9296 4.404859 507.4117 7.144932 507.8938 9.461302 508.3759 8.663678 508.8580 5.497352 509.3401 4.559427 509.8223 6.903095 510.3044 9.163177 510.7865 10.22171 511.2686 10.54957 511.7507 10.36319 512.2328 9.650324 512.7150 9.127511 513.1971 9.618921 513.6792 10.71585 514.1613 11.21280 514.6434 10.91908 515.1255 10.24868 515.6077 9.386822 516.0898 8.386559 516.5719 7.494331 517.0540 6.810427 517.5361 6.129558 518.0182 5.196060 518.5004 4.246053 518.9825 3.826144 519.4646 4.069014 519.9467 4.310776 520.4288 3.650828 520.9109 1.810233 521.3931 0.9705040 521.8752 2.154355 522.3573 3.045274 522.8394 2.517606 523.3215 1.270797 523.8036 0.3858310 524.2858 0.3027200 524.7679 0.7349960 525.2500 1.172856 525.7321 1.534788 526.2142 1.761744 526.6964 1.560428 527.1785 1.769419 527.6606 3.437557 528.1427 5.744002 528.6248 6.840483 529.1069 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