#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:04 +0300 (Thu, 07 Jun 2018) $ #$Revision: 987 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000444.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_1000444 loop_ _publ_author_name 'Moore, P. B.' 'Araki, T.' _publ_section_title ; Braunite: its structure and relationship to bixbyite, and some insights on the genealogy of fluorite derivative structures ; _journal_name_full 'American Mineralogist' _journal_page_first 1226 _journal_page_last 1240 _journal_volume 61 _journal_year 1976 _chemical_compound_source R050385 _chemical_formula_sum 'Mn7 O12 Si' _chemical_name_mineral Braunite _space_group_IT_number 142 _symmetry_space_group_name_Hall '-I 4bd 2c' _symmetry_space_group_name_H-M 'I 41/a c d :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.408 _cell_length_b 9.408 _cell_length_c 18.668 _cell_volume 1652.313 _exptl_crystal_density_diffrn 4.861 _cod_original_sg_symbol_H-M 'I 41/a c d' _cod_original_formula_sum 'Mn7 Si O12' _cod_database_code 9000532 _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 R050385.rod _rod_data_source.block 3500000 _rod_database.code 1000444 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 9000532 COD http://www.crystallography.net/cod/9000532.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 122.2448 0.0000000E+00 122.7269 3.987213 123.2090 9.059410 123.6911 11.34026 124.1732 9.694115 124.6553 7.191360 125.1375 6.428604 125.6196 7.100960 126.1017 8.275764 126.5838 9.643776 127.0659 11.08824 127.5480 12.54111 128.0302 14.20075 128.5123 15.56110 128.9944 15.96704 129.4765 15.52331 129.9586 15.05914 130.4407 15.69333 130.9229 16.95917 131.4050 16.77711 131.8871 14.24600 132.3692 10.54439 132.8513 9.301407 133.3334 9.751419 133.8156 9.556755 134.2977 8.781586 134.7798 8.190292 135.2619 8.057236 135.7440 8.526947 136.2261 9.480499 136.7083 10.24988 137.1904 10.60816 137.6725 11.40521 138.1546 14.34959 138.6367 20.30643 139.1188 23.62669 139.6010 22.24477 140.0831 16.19382 140.5652 11.46266 141.0473 8.273521 141.5294 5.832069 142.0115 3.439331 142.4937 0.9754330 142.9758 0.8751070 143.4579 1.929970 143.9400 2.127045 144.4221 1.871010 144.9042 1.092842 145.3864 3.0228000E-02 145.8685 1.136955 146.3506 2.208832 146.8327 3.288246 147.3148 4.479774 147.7969 6.462196 148.2791 8.502571 148.7612 9.863609 149.2433 10.72900 149.7254 11.47103 150.2075 10.80178 150.6896 10.40373 151.1718 10.95067 151.6539 13.47276 152.1360 15.29850 152.6181 16.35176 153.1002 16.73328 153.5823 16.89700 154.0645 17.84859 154.5466 18.38255 155.0287 17.90285 155.5108 15.50933 155.9929 13.10443 156.4750 10.90042 156.9572 8.886909 157.4393 7.084198 157.9214 5.387207 158.4035 3.943604 158.8856 2.838776 159.3677 1.921593 159.8499 1.505966 160.3320 1.908997 160.8141 3.003075 161.2962 4.043640 161.7783 5.000443 162.2604 5.674324 162.7426 5.904320 163.2247 5.232254 163.7068 4.472679 164.1889 3.964134 164.6710 3.702553 165.1531 3.521858 165.6353 3.194473 166.1174 2.953026 166.5995 3.047974 167.0816 4.051300 167.5637 5.060730 168.0458 5.303261 168.5280 4.771942 169.0101 4.474396 169.4922 5.583984 169.9743 7.224579 170.4564 8.165016 170.9385 7.729485 171.4207 6.488945 171.9028 4.664314 172.3849 2.236710 172.8670 2.0966001E-02 173.3491 1.471893 173.8312 2.321327 174.3134 2.678047 174.7955 2.136986 175.2776 1.345108 175.7597 1.179817 176.2418 1.752769 176.7239 2.359543 177.2061 2.269669 177.6882 1.682007 178.1703 1.141747 178.6524 0.9734730 179.1345 1.001503 179.6166 0.9217830 180.0988 0.6147460 180.5809 0.2771990 181.0630 2.5940000E-03 181.5451 0.1904910 182.0272 0.2284700 182.5093 0.2143100 182.9915 0.8316120 183.4736 0.8849790 183.9557 0.3126140 184.4378 0.7656330 184.9199 2.529808 185.4020 4.831924 185.8842 6.846352 186.3663 8.094368 186.8484 8.674461 187.3305 8.841286 187.8126 8.560242 188.2947 8.019829 188.7769 7.278374 189.2590 6.366211 189.7411 5.933250 190.2232 6.613121 190.7053 8.213661 191.1874 9.482658 191.6696 10.24128 192.1517 10.82317 192.6338 11.97155 193.1159 13.71302 193.5980 15.30928 194.0801 16.28455 194.5623 16.67075 195.0444 16.88854 195.5265 16.87209 196.0086 16.84353 196.4907 17.22894 196.9728 18.02742 197.4550 19.23401 197.9371 21.13024 198.4192 23.73660 198.9013 25.62061 199.3834 26.48533 199.8655 26.73789 200.3477 27.32230 200.8298 28.20077 201.3119 29.27406 201.7940 30.65692 202.2761 32.42390 202.7582 34.03551 203.2404 35.42253 203.7225 36.61490 204.2046 37.81411 204.6867 38.98532 205.1688 40.27247 205.6509 41.77668 206.1331 43.53600 206.6152 45.29728 207.0973 47.03653 207.5794 48.76596 208.0615 50.50426 208.5436 52.21838 209.0258 54.04000 209.5079 56.14384 209.9900 58.67044 210.4721 60.74700 210.9542 62.16548 211.4363 63.13353 211.9185 64.36633 212.4006 65.96477 212.8827 67.61974 213.3648 69.16676 213.8469 70.69740 214.3290 71.87133 214.8112 72.72138 215.2933 73.17983 215.7754 72.94164 216.2575 71.74523 216.7396 70.33015 217.2217 69.10539 217.7038 68.09126 218.1860 67.29979 218.6681 66.93372 219.1502 66.76508 219.6323 65.90614 220.1144 64.02573 220.5965 62.03316 221.0787 60.46222 221.5608 59.45404 222.0429 58.47806 222.5250 57.42496 223.0071 56.39445 223.4892 55.86134 223.9714 56.17206 224.4535 56.43491 224.9356 56.08325 225.4177 54.65426 225.8998 53.72427 226.3819 53.40887 226.8641 53.63390 227.3462 54.23210 227.8283 55.51167 228.3104 56.68056 228.7925 57.33745 229.2746 57.43828 229.7568 57.08746 230.2389 56.04514 230.7210 54.52495 231.2031 53.37849 231.6852 52.82868 232.1673 52.45121 232.6495 52.10938 233.1316 51.86723 233.6137 51.53426 234.0958 51.08923 234.5779 50.49982 235.0600 49.71247 235.5422 48.65363 236.0243 47.56869 236.5064 46.57049 236.9885 45.82067 237.4706 44.73666 237.9527 43.10992 238.4349 41.23453 238.9170 39.84863 239.3991 39.04475 239.8812 38.56918 240.3633 38.39842 240.8454 38.92386 241.3276 38.71757 241.8097 37.36335 242.2918 35.50270 242.7739 34.55156 243.2560 35.08665 243.7381 35.59656 244.2203 35.40437 244.7024 33.99361 245.1845 33.37534 245.6666 33.88056 246.1487 35.02067 246.6308 35.89797 247.1130 36.51061 247.5951 36.85835 248.0772 36.84733 248.5593 36.27135 249.0414 36.13488 249.5235 36.75821 250.0057 37.61764 250.4878 37.86871 250.9699 37.45518 251.4520 36.69412 251.9341 35.46894 252.4162 33.52642 252.8984 32.09461 253.3805 31.53098 253.8626 31.24529 254.3447 30.38783 254.8268 28.78349 255.3089 26.98201 255.7911 24.97962 256.2732 22.70290 256.7553 20.74213 257.2374 19.14045 257.7195 17.83191 258.2017 16.77888 258.6838 16.11470 259.1659 15.38377 259.6480 14.45995 260.1301 13.33862 260.6122 12.18198 261.0944 10.88313 261.5765 9.702797 262.0586 8.957413 262.5407 8.819542 263.0228 8.638107 263.5049 8.237251 263.9871 7.629288 264.4692 7.239502 264.9513 7.175552 265.4334 7.152817 265.9155 6.875916 266.3976 6.255157 266.8798 5.690742 267.3619 5.222000 267.8440 4.859573 268.3261 4.700569 268.8082 4.704254 269.2903 4.993370 269.7725 5.852211 270.2546 7.519432 270.7367 8.568192 271.2188 8.607437 271.7009 7.904350 272.1830 7.628990 272.6652 7.926193 273.1473 8.258926 273.6294 8.145432 274.1115 7.440544 274.5936 7.260635 275.0757 7.912292 275.5579 9.018867 276.0400 9.363388 276.5221 8.744972 277.0042 8.172516 277.4863 8.367523 277.9684 9.409004 278.4506 10.11093 278.9327 10.35516 279.4148 10.27029 279.8969 10.05423 280.3790 9.678062 280.8611 9.378189 281.3433 9.297150 281.8254 9.434143 282.3075 9.604454 282.7896 9.815674 283.2717 10.03313 283.7538 10.18739 284.2360 10.27566 284.7181 10.38338 285.2002 10.52438 285.6823 10.70609 286.1644 11.04269 286.6465 11.57331 287.1287 12.10394 287.6108 12.21301 288.0929 11.94123 288.5750 12.06505 289.0571 13.08009 289.5392 14.73098 290.0214 15.89639 290.5035 16.51173 290.9856 17.13410 291.4677 18.42042 291.9498 20.28072 292.4319 22.13486 292.9141 23.96799 293.3962 25.61207 293.8783 26.57295 294.3604 26.83894 294.8425 26.89494 295.3246 27.10979 295.8068 27.45093 296.2889 27.84776 296.7710 28.43559 297.2531 28.89627 297.7352 28.78075 298.2173 28.09157 298.6995 26.79824 299.1816 24.39103 299.6637 21.40086 300.1458 19.06979 300.6279 17.76447 301.1100 16.81062 301.5922 15.49207 302.0743 13.84135 302.5564 12.00286 303.0385 9.824043 303.5206 7.576546 304.0027 5.560234 304.4849 3.801796 304.9670 2.405548 305.4491 1.611725 305.9312 1.287079 306.4133 1.112198 306.8954 1.327393 307.3776 1.402695 307.8597 0.5352780 308.3418 1.432800 308.8239 3.127312 309.3060 3.296188 309.7881 2.564598 310.2703 1.914818 310.7524 1.675667 311.2345 1.707077 311.7166 2.192192 312.1987 3.090912 312.6808 3.471504 313.1630 2.204712 313.6451 0.3724370 314.1272 0.8698580 314.6093 0.7067870 315.0914 0.2653350 315.5735 1.1162000E-02 316.0557 7.8423001E-02 316.5378 0.1210250 317.0199 0.4424820 317.5020 0.5772090 317.9841 0.1443710 318.4662 1.330734 318.9484 2.790352 319.4305 3.898209 319.9126 4.729317 320.3947 5.480301 320.8768 6.263527 321.3589 6.939827 321.8411 7.389107 322.3232 7.414406 322.8053 7.652283 323.2874 8.244759 323.7695 9.118469 324.2516 10.15726 324.7338 11.78676 325.2159 13.17001 325.6980 13.95543 326.1801 13.96383 326.6622 14.12454 327.1443 14.52750 327.6265 15.10116 328.1086 15.77642 328.5907 16.45965 329.0728 17.33849 329.5549 18.40695 330.0370 19.67033 330.5192 21.27431 331.0013 23.59142 331.4834 25.94542 331.9655 27.91261 332.4476 29.51546 332.9297 30.67758 333.4119 31.22088 333.8940 31.29543 334.3761 31.60694 334.8582 32.47073 335.3403 33.06396 335.8224 32.84315 336.3046 31.35332 336.7867 30.49973 337.2688 30.73928 337.7509 31.30827 338.2330 30.51871 338.7151 27.99458 339.1973 25.30713 339.6794 23.03032 340.1615 21.20421 340.6436 19.31455 341.1257 17.30894 341.6078 15.40075 342.0899 13.92786 342.5721 12.94943 343.0542 11.94890 343.5363 10.67991 344.0184 9.289436 344.5005 8.496391 344.9826 8.373383 345.4648 8.369095 345.9469 7.948837 346.4290 7.164711 346.9111 6.504784 347.3932 6.107018 347.8753 5.804115 348.3575 5.229881 348.8396 4.416458 349.3217 3.692879 349.8038 3.360077 350.2859 3.269417 350.7680 3.029839 351.2502 2.539688 351.7323 2.127029 352.2144 2.367424 352.6965 3.088417 353.1786 3.650948 353.6607 3.395813 354.1429 2.780777 354.6250 2.525078 355.1071 2.735519 355.5892 2.956215 356.0713 2.617287 356.5534 2.038589 357.0356 1.711678 357.5177 1.849091 357.9998 2.248116 358.4819 2.893188 358.9640 3.725098 359.4461 4.454758 359.9283 5.123039 360.4104 5.562012 360.8925 5.559837 361.3746 4.681839 361.8567 4.081543 362.3388 4.421936 362.8210 5.296036 363.3031 5.971046 363.7852 6.149391 364.2673 6.155060 364.7494 6.073372 365.2315 5.795441 365.7137 5.701202 366.1958 5.917297 366.6779 6.239861 367.1600 6.544746 367.6421 7.033791 368.1242 7.370140 368.6064 7.361275 369.0885 6.967590 369.5706 6.764832 370.0527 6.939705 370.5348 7.145454 371.0169 7.219025 371.4991 6.922607 371.9812 6.859039 372.4633 7.208740 372.9454 7.811607 373.4275 8.052689 373.9096 7.708298 374.3918 7.402084 374.8739 7.465019 375.3560 8.052757 375.8381 8.291817 376.3202 8.021355 376.8023 7.589966 377.2845 7.622025 377.7666 8.236992 378.2487 8.640541 378.7308 8.437935 379.2129 7.761086 379.6950 7.664810 380.1772 8.277695 380.6593 8.861572 381.1414 8.567360 381.6235 7.476082 382.1056 6.466339 382.5877 5.648308 383.0699 5.126755 383.5520 5.334587 384.0341 6.189095 384.5162 6.832504 384.9983 6.450981 385.4804 5.504433 385.9626 5.049431 386.4447 5.261261 386.9268 5.580559 387.4089 5.333237 387.8910 4.752510 388.3731 4.369995 388.8553 4.524010 389.3374 4.919167 389.8195 5.403358 390.3016 5.946579 390.7837 6.252068 391.2658 5.969070 391.7480 5.417168 392.2301 4.924179 392.7122 4.585312 393.1943 4.315491 393.6764 4.048492 394.1585 3.818207 394.6407 3.724113 395.1228 3.838379 395.6049 4.064911 396.0870 4.436577 396.5691 5.104172 397.0512 5.423035 397.5334 5.030884 398.0155 4.299690 398.4976 3.701691 398.9797 3.405426 399.4618 3.108025 399.9439 2.663109 400.4261 2.071934 400.9082 1.830803 401.3903 2.203888 401.8724 2.674145 402.3545 2.933338 402.8366 2.992554 403.3188 2.782883 403.8009 2.148178 404.2830 1.308552 404.7651 0.8597450 405.2472 0.9345590 405.7293 1.032696 406.2115 0.9031180 406.6936 0.5346220 407.1757 0.4410320 407.6578 0.6993560 408.1399 1.024673 408.6220 1.165638 409.1042 1.119801 409.5863 0.6864430 410.0684 0.4484060 410.5505 1.799488 411.0326 2.054108 411.5147 1.248470 411.9969 0.4843560 412.4790 0.7117500 412.9611 1.553352 413.4432 2.120449 413.9253 2.295315 414.4074 2.208363 414.8896 1.930378 415.3717 1.498383 415.8538 0.9988170 416.3359 0.3609700 416.8180 0.2512930 417.3001 0.7387080 417.7823 1.096916 418.2644 1.185932 418.7465 0.5307270 419.2286 0.2459340 419.7107 0.5025140 420.1928 0.4405630 420.6750 1.226269 421.1571 1.058960 421.6392 0.3200530 422.1213 4.2110002E-03 422.6034 0.8632350 423.0855 1.779720 423.5677 2.300083 424.0498 2.301979 424.5319 2.210415 425.0140 1.959255 425.4961 1.676373 425.9782 1.493355 426.4604 1.506424 426.9425 1.473728 427.4246 1.287773 427.9067 1.001186 428.3888 1.043457 428.8709 1.653564 429.3531 2.170605 429.8352 2.167789 430.3173 1.513844 430.7994 0.9757190 431.2815 0.5288050 431.7636 0.2725180 432.2458 0.5117490 432.7279 1.286911 433.2100 1.860470 433.6921 1.902790 434.1742 1.552284 434.6563 1.292625 435.1385 1.120651 435.6206 1.012703 436.1027 1.035900 436.5848 1.109909 437.0669 0.9543950 437.5490 0.4041480 438.0312 0.1060490 438.5133 9.9613003E-02 438.9954 0.3433840 439.4775 1.000771 439.9596 1.964367 440.4417 2.962799 440.9239 3.838089 441.4060 4.581638 441.8881 4.972038 442.3702 4.528572 442.8523 3.829487 443.3344 3.430962 443.8166 3.726074 444.2987 4.053757 444.7808 4.039505 445.2629 3.879654 445.7450 4.153412 446.2271 5.454018 446.7093 6.785919 447.1914 7.761883 447.6735 8.264721 448.1556 8.745522 448.6377 9.164360 449.1198 9.582794 449.6020 10.04738 450.0841 10.47226 450.5662 11.12142 451.0483 12.14557 451.5304 13.42382 452.0125 14.39009 452.4947 15.01601 452.9768 15.44281 453.4589 15.56996 453.9410 15.38097 454.4231 15.91730 454.9052 17.33965 455.3874 19.05220 455.8695 20.30153 456.3516 21.15120 456.8337 22.01477 457.3158 22.97356 457.7979 24.08189 458.2801 25.56826 458.7622 27.36722 459.2443 29.07719 459.7264 30.15205 460.2085 31.06448 460.6906 32.52087 461.1728 34.74544 461.6549 36.92239 462.1370 38.21530 462.6191 39.10872 463.1012 40.28666 463.5833 41.97029 464.0655 44.02132 464.5476 46.63333 465.0297 49.68864 465.5118 52.34697 465.9939 53.89572 466.4760 55.27755 466.9582 57.05132 467.4403 59.94199 467.9224 61.94177 468.4045 62.23788 468.8866 61.97466 469.3687 62.82171 469.8509 65.37263 470.3330 67.88413 470.8151 70.07561 471.2972 71.93290 471.7793 72.99681 472.2614 73.03449 472.7436 73.02459 473.2257 73.89314 473.7078 75.67519 474.1899 76.49068 474.6720 76.01069 475.1541 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