#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:53:08 +0300 (Thu, 07 Jun 2018) $ #$Revision: 988 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000445.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_1000445 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 R050388 _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 R050388.rod _rod_data_source.block 3500000 _rod_database.code 1000445 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 115.0130 0.0000000E+00 115.4951 0.1800000 115.9772 0.4102170 116.4594 2.536148 116.9415 4.754860 117.4236 6.783905 117.9057 8.329086 118.3878 9.108009 118.8699 7.001312 119.3521 5.525124 119.8342 6.818764 120.3163 11.12833 120.7984 16.71152 121.2805 23.05978 121.7626 29.91104 122.2448 36.82761 122.7269 46.11191 123.2090 54.15698 123.6911 56.49876 124.1732 51.64623 124.6553 45.32434 125.1375 42.15023 125.6196 41.71153 126.1017 42.71351 126.5838 44.53268 127.0659 47.26682 127.5480 51.59696 128.0302 58.49461 128.5123 65.22128 128.9944 67.54254 129.4765 65.79053 129.9586 63.07567 130.4407 61.82039 130.9229 61.48709 131.4050 59.80911 131.8871 55.80848 132.3692 50.75816 132.8513 47.42953 133.3334 45.63060 133.8156 44.45276 134.2977 43.86530 134.7798 44.34732 135.2619 45.43808 135.7440 47.27570 136.2261 49.61320 136.7083 51.22853 137.1904 51.85933 137.6725 52.63029 138.1546 55.71547 138.6367 62.16903 139.1188 65.25165 139.6010 62.84854 140.0831 55.00026 140.5652 46.12016 141.0473 35.18255 141.5294 24.45200 142.0115 17.11966 142.4937 13.94157 142.9758 12.08778 143.4579 10.83434 143.9400 10.50629 144.4221 11.02554 144.9042 12.10432 145.3864 13.44839 145.8685 14.94988 146.3506 16.98646 146.8327 18.40965 147.3148 19.08528 147.7969 18.47855 148.2791 17.79701 148.7612 16.53111 149.2433 15.05860 149.7254 15.10414 150.2075 18.49458 150.6896 22.27387 151.1718 25.39356 151.6539 28.08180 152.1360 29.82619 152.6181 29.93204 153.1002 28.99046 153.5823 28.76572 154.0645 31.44819 154.5466 33.38125 155.0287 32.85184 155.5108 27.56197 155.9929 22.35815 156.4750 17.71890 156.9572 13.65879 157.4393 10.37504 157.9214 8.211151 158.4035 6.608482 158.8856 5.209770 159.3677 3.816391 159.8499 2.730293 160.3320 1.782593 160.8141 1.079544 161.2962 1.338005 161.7783 4.056061 162.2604 7.263290 162.7426 9.335342 163.2247 9.280449 163.7068 8.450424 164.1889 7.058868 164.6710 5.188179 165.1531 3.719048 165.6353 2.810669 166.1174 2.616623 166.5995 3.302719 167.0816 5.913361 167.5637 8.689133 168.0458 10.58620 168.5280 11.56850 169.0101 11.99400 169.4922 12.27519 169.9743 12.10177 170.4564 11.03003 170.9385 8.074173 171.4207 4.625877 171.9028 1.832642 172.3849 0.2410580 172.8670 1.960793 173.3491 3.430214 173.8312 4.599945 174.3134 5.409821 174.7955 5.772507 175.2776 5.784210 175.7597 5.518219 176.2418 4.962456 176.7239 4.230194 177.2061 3.200089 177.6882 2.025978 178.1703 1.144989 178.6524 1.051529 179.1345 1.304825 179.6166 1.029228 180.0988 6.1211001E-02 180.5809 0.8382640 181.0630 0.5495910 181.5451 0.6479950 182.0272 1.623795 182.5093 1.908478 182.9915 1.546432 183.4736 0.4700010 183.9557 1.488068 184.4378 3.589310 184.9199 4.733490 185.4020 5.030823 185.8842 5.420586 186.3663 6.626114 186.8484 8.381989 187.3305 9.631416 187.8126 10.22876 188.2947 10.51610 188.7769 10.92651 189.2590 11.46528 189.7411 12.24526 190.2232 13.46842 190.7053 15.05333 191.1874 16.43531 191.6696 17.47949 192.1517 18.50730 192.6338 20.31495 193.1159 22.93826 193.5980 25.38226 194.0801 26.76934 194.5623 27.20405 195.0444 28.40278 195.5265 30.72562 196.0086 33.57198 196.4907 35.60416 196.9728 36.73499 197.4550 37.78285 197.9371 39.07818 198.4192 40.61333 198.9013 42.82640 199.3834 45.83928 199.8655 49.44460 200.3477 53.42598 200.8298 57.94656 201.3119 62.05542 201.7940 64.89841 202.2761 66.29354 202.7582 68.55904 203.2404 72.19416 203.7225 76.60672 204.2046 80.00230 204.6867 82.07544 205.1688 84.20435 205.6509 87.36139 206.1331 91.77227 206.6152 95.78952 207.0973 99.14094 207.5794 102.0828 208.0615 105.3964 208.5436 109.1394 209.0258 113.1192 209.5079 117.1232 209.9900 121.0259 210.4721 125.5225 210.9542 130.9087 211.4363 136.8323 211.9185 142.0363 212.4006 146.2946 212.8827 150.3533 213.3648 154.6804 213.8469 159.5858 214.3290 163.8389 214.8112 167.4879 215.2933 170.3744 215.7754 171.9427 216.2575 171.8391 216.7396 171.0799 217.2217 170.2867 217.7038 169.6358 218.1860 168.4225 218.6681 166.5869 219.1502 164.1702 219.6323 161.3793 220.1144 158.4437 220.5965 154.7906 221.0787 149.8142 221.5608 142.5186 222.0429 136.7394 222.5250 133.3018 223.0071 131.4923 223.4892 128.7123 223.9714 124.2059 224.4535 119.8873 224.9356 116.7655 225.4177 115.2084 225.8998 114.0041 226.3819 113.0099 226.8641 112.3325 227.3462 112.4819 227.8283 113.9940 228.3104 115.5104 228.7925 116.3929 229.2746 116.7621 229.7568 116.1555 230.2389 114.1165 230.7210 111.0666 231.2031 108.6879 231.6852 107.6532 232.1673 106.3411 232.6495 103.9531 233.1316 100.1097 233.6137 96.10706 234.0958 92.00352 234.5779 87.82179 235.0600 83.57259 235.5422 78.67513 236.0243 74.48153 236.5064 71.79465 236.9885 72.00497 237.4706 70.51321 237.9527 66.51215 238.4349 61.06075 238.9170 56.89931 239.3991 54.64325 239.8812 52.63983 240.3633 50.18575 240.8454 46.92217 241.3276 44.25274 241.8097 42.29596 242.2918 40.86942 242.7739 39.76927 243.2560 39.29797 243.7381 38.68404 244.2203 37.56046 244.7024 35.59675 245.1845 34.06139 245.6666 33.04137 246.1487 32.41122 246.6308 31.85543 247.1130 31.06081 247.5951 30.87085 248.0772 31.85313 248.5593 34.69797 249.0414 36.24088 249.5235 35.96506 250.0057 34.53988 250.4878 33.00787 250.9699 31.05673 251.4520 29.56011 251.9341 28.95026 252.4162 29.49361 252.8984 29.61807 253.3805 29.34650 253.8626 28.66518 254.3447 27.49938 254.8268 25.50912 255.3089 23.69061 255.7911 22.40143 256.2732 21.72019 256.7553 20.64083 257.2374 19.08627 257.7195 17.20861 258.2017 15.08680 258.6838 12.37012 259.1659 10.21191 259.6480 9.071022 260.1301 8.997871 260.6122 8.403488 261.0944 7.049477 261.5765 5.546783 262.0586 4.574295 262.5407 4.333542 263.0228 4.071701 263.5049 3.618980 263.9871 2.981590 264.4692 2.420326 264.9513 1.942291 265.4334 1.521072 265.9155 1.108185 266.3976 0.6797180 266.8798 0.3532560 267.3619 9.3612999E-02 267.8440 6.4575002E-02 268.3261 0.3138430 268.8082 1.528755 269.2903 2.649368 269.7725 2.725792 270.2546 1.414192 270.7367 0.6675800 271.2188 0.8880620 271.7009 1.856323 272.1830 2.709663 272.6652 3.462273 273.1473 4.041565 273.6294 4.298630 274.1115 4.132553 274.5936 4.314453 275.0757 5.057503 275.5579 6.101418 276.0400 6.638687 276.5221 6.571709 277.0042 6.388878 277.4863 6.285500 277.9684 6.241249 278.4506 6.637657 278.9327 7.687988 279.4148 8.955757 279.8969 9.462059 280.3790 9.126381 280.8611 8.604530 281.3433 8.035500 281.8254 7.424683 282.3075 7.557396 282.7896 8.584717 283.2717 10.07145 283.7538 11.51358 284.2360 12.92822 284.7181 13.87636 285.2002 13.89839 285.6823 13.13392 286.1644 12.86114 286.6465 13.12605 287.1287 13.72065 287.6108 14.42814 288.0929 15.24646 288.5750 16.13927 289.0571 16.99239 289.5392 17.91081 290.0214 19.34862 290.5035 21.33221 290.9856 23.55305 291.4677 25.67947 291.9498 27.75434 292.4319 30.01797 292.9141 32.85054 293.3962 35.77428 293.8783 37.45660 294.3604 37.87348 294.8425 38.14578 295.3246 39.53836 295.8068 41.63945 296.2889 43.06500 296.7710 43.51414 297.2531 43.12118 297.7352 41.95747 298.2173 40.07265 298.6995 37.80629 299.1816 35.21519 299.6637 32.43980 300.1458 29.92943 300.6279 27.91203 301.1100 25.79819 301.5922 22.49291 302.0743 18.32864 302.5564 14.66951 303.0385 12.74708 303.5206 11.66582 304.0027 10.05773 304.4849 7.678047 304.9670 5.127907 305.4491 2.568565 305.9312 0.2689900 306.4133 1.125862 306.8954 0.5841370 307.3776 0.6366040 307.8597 1.298065 308.3418 1.299385 308.8239 1.037201 309.3060 0.7399290 309.7881 0.3829190 310.2703 5.9386998E-02 310.7524 0.6604390 311.2345 1.309654 311.7166 2.038208 312.1987 2.829704 312.6808 3.316933 313.1630 3.141914 313.6451 2.616600 314.1272 2.074020 314.6093 1.554863 315.0914 1.114502 315.5735 0.8310320 316.0557 0.6762470 316.5378 0.4979630 317.0199 0.5853880 317.5020 0.4212720 317.9841 0.4448550 318.4662 2.727257 318.9484 4.780914 319.4305 6.085121 319.9126 6.754349 320.3947 7.088646 320.8768 6.573936 321.3589 6.201683 321.8411 6.531898 322.3232 7.939278 322.8053 9.293518 323.2874 10.25611 323.7695 11.05756 324.2516 12.06255 324.7338 13.77888 325.2159 15.28986 325.6980 16.15494 326.1801 16.12116 326.6622 16.56863 327.1443 17.97993 327.6265 19.74914 328.1086 21.27325 328.5907 22.36269 329.0728 23.38642 329.5549 24.19207 330.0370 24.77662 330.5192 26.14095 331.0013 29.20439 331.4834 32.27911 331.9655 34.19992 332.4476 34.32616 332.9297 34.37051 333.4119 34.29695 333.8940 34.22784 334.3761 34.87208 334.8582 36.95801 335.3403 38.58467 335.8224 38.55249 336.3046 35.97305 336.7867 34.50756 337.2688 34.81142 337.7509 35.80891 338.2330 35.13081 338.7151 32.25536 339.1973 29.36363 339.6794 27.43002 340.1615 26.54713 340.6436 24.84464 341.1257 22.06467 341.6078 19.07399 342.0899 17.04992 342.5721 16.09554 343.0542 15.21096 343.5363 14.15637 344.0184 12.95266 344.5005 11.60723 344.9826 10.11596 345.4648 8.646362 345.9469 7.311829 346.4290 6.123726 346.9111 5.203735 347.3932 4.596100 347.8753 4.179367 348.3575 3.739693 348.8396 3.311607 349.3217 3.109718 349.8038 3.462151 350.2859 4.138031 350.7680 4.520111 351.2502 4.454506 351.7323 4.240349 352.2144 4.329254 352.6965 4.609283 353.1786 4.726318 353.6607 4.383041 354.1429 3.837280 354.6250 3.374863 355.1071 3.011497 355.5892 2.759819 356.0713 2.650200 356.5534 2.666656 357.0356 2.784752 357.5177 3.035782 357.9998 3.368652 358.4819 3.811249 358.9640 4.313248 359.4461 4.654701 359.9283 4.482544 360.4104 4.176163 360.8925 4.085777 361.3746 4.250961 361.8567 4.764786 362.3388 6.143806 362.8210 7.889175 363.3031 8.934425 363.7852 7.880867 364.2673 6.830582 364.7494 7.087440 365.2315 9.262749 365.7137 10.97697 366.1958 11.67962 366.6779 11.70885 367.1600 11.45934 367.6421 10.31343 368.1242 9.549049 368.6064 9.536240 369.0885 10.31792 369.5706 10.98985 370.0527 11.57739 370.5348 12.05280 371.0169 12.42873 371.4991 12.66494 371.9812 12.93925 372.4633 13.42821 372.9454 13.95329 373.4275 13.81627 373.9096 12.61445 374.3918 11.42654 374.8739 10.67962 375.3560 10.34421 375.8381 10.78272 376.3202 12.38409 376.8023 14.16556 377.2845 14.36476 377.7666 12.62791 378.2487 11.23471 378.7308 11.01741 379.2129 11.81129 379.6950 12.72192 380.1772 13.85162 380.6593 14.60439 381.1414 14.14891 381.6235 12.63900 382.1056 11.51857 382.5877 11.24194 383.0699 11.29933 383.5520 10.58683 384.0341 9.182976 384.5162 7.959511 384.9983 7.546623 385.4804 7.693474 385.9626 7.892761 386.4447 8.110596 386.9268 8.291206 387.4089 8.652061 387.8910 8.941948 388.3731 8.587334 388.8553 6.359909 389.3374 3.981133 389.8195 3.248566 390.3016 4.117142 390.7837 5.368401 391.2658 6.552635 391.7480 7.596802 392.2301 8.441330 392.7122 9.207977 393.1943 9.585495 393.6764 9.162086 394.1585 8.191635 394.6407 7.404800 395.1228 7.319008 395.6049 7.266464 396.0870 6.808060 396.5691 5.637695 397.0512 4.918259 397.5334 5.291534 398.0155 6.099586 398.4976 6.514618 398.9797 5.902351 399.4618 5.485611 399.9439 5.730606 400.4261 6.630768 400.9082 6.790382 401.3903 5.877502 401.8724 4.536850 402.3545 3.099335 402.8366 1.313499 403.3188 1.9432001E-02 403.8009 0.6534960 404.2830 0.8441310 404.7651 0.8396760 405.2472 0.5412140 405.7293 0.3281480 406.2115 0.3850710 406.6936 0.7191620 407.1757 1.060249 407.6578 1.461624 408.1399 1.725700 408.6220 1.541054 409.1042 0.9183730 409.5863 0.3537450 410.0684 3.3371001E-02 410.5505 0.2702790 411.0326 0.4394230 411.5147 0.5399780 411.9969 0.5417940 412.4790 0.3880230 412.9611 0.1215360 413.4432 0.1520230 413.9253 0.4200060 414.4074 0.7021260 414.8896 1.104919 415.3717 1.544174 415.8538 1.818260 416.3359 1.852486 416.8180 1.661690 417.3001 1.101570 417.7823 0.1872330 418.2644 0.5036770 418.7465 0.4319380 419.2286 8.4876999E-02 419.7107 7.1198002E-02 420.1928 9.7740002E-02 420.6750 0.4548870 421.1571 1.083015 421.6392 1.872124 422.1213 2.521622 422.6034 3.031525 423.0855 3.316673 423.5677 3.198746 424.0498 2.389481 424.5319 2.183479 425.0140 3.332527 425.4961 4.822914 425.9782 5.620575 426.4604 5.158653 426.9425 4.846786 427.4246 5.009026 427.9067 5.535225 428.3888 5.565247 428.8709 4.750648 429.3531 4.056236 429.8352 4.087288 430.3173 5.010452 430.7994 5.851486 431.2815 6.650696 431.7636 7.249832 432.2458 7.311707 432.7279 6.809837 433.2100 6.187302 433.6921 5.485008 434.1742 4.795891 434.6563 4.558151 435.1385 4.780983 435.6206 5.061081 436.1027 5.017471 436.5848 4.759033 437.0669 4.546967 437.5490 4.376442 438.0312 4.405411 438.5133 5.022919 438.9954 6.016563 439.4775 6.794250 439.9596 6.782104 440.4417 6.591034 440.9239 6.897270 441.4060 7.740677 441.8881 8.343315 442.3702 7.809341 442.8523 7.021378 443.3344 6.841705 443.8166 8.294067 444.2987 9.452026 444.7808 9.278137 445.2629 8.299408 445.7450 8.060799 446.2271 9.766304 446.7093 11.49239 447.1914 12.36469 447.6735 11.86581 448.1556 12.16729 448.6377 13.92019 449.1198 16.03005 449.6020 17.35498 450.0841 17.41442 450.5662 17.66462 451.0483 18.45882 451.5304 19.60553 452.0125 20.10029 452.4947 19.67292 452.9768 19.43979 453.4589 20.22070 453.9410 22.05748 454.4231 23.33443 454.9052 23.98216 455.3874 24.23230 455.8695 24.19206 456.3516 23.93203 456.8337 23.99011 457.3158 24.68612 457.7979 25.68002 458.2801 26.37486 458.7622 26.79841 459.2443 27.16607 459.7264 27.18404 460.2085 27.39862 460.6906 28.70734 461.1728 31.43945 461.6549 34.22915 462.1370 36.22616 462.6191 37.65265 463.1012 38.77928 463.5833 39.11604 464.0655 39.69466 464.5476 41.11660 465.0297 43.27813 465.5118 45.32390 465.9939 47.14397 466.4760 48.70045 466.9582 49.93626 467.4403 50.50928 467.9224 51.36480 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