#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:34:34 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1158 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000577.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_1000577 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 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 R050385.rod _rod_data_source.block 3500000 _rod_database.code 1000577 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 120.0041 0.0000000E+00 120.4862 1.418762 120.9683 2.319992 121.4504 1.724991 121.9325 1.071823 122.4147 1.647125 122.8968 3.504120 123.3789 5.377197 123.8610 6.358566 124.3431 7.078583 124.8252 8.182770 125.3074 10.03322 125.7895 12.21579 126.2716 13.86928 126.7537 14.94466 127.2358 15.48524 127.7179 15.15401 128.2001 14.49252 128.6822 14.24327 129.1643 15.00854 129.6464 16.65424 130.1285 17.55899 130.6106 17.09128 131.0928 16.18141 131.5749 14.72382 132.0570 12.90274 132.5391 11.35283 133.0212 10.77980 133.5033 10.86514 133.9855 10.86261 134.4676 10.77071 134.9497 10.94551 135.4318 11.85019 135.9139 13.36427 136.3960 14.42175 136.8782 13.68451 137.3603 10.81738 137.8424 8.662430 138.3245 7.908463 138.8066 7.624191 139.2887 6.730598 139.7709 4.975792 140.2530 3.214859 140.7351 2.352669 141.2172 2.224716 141.6993 2.146194 142.1814 1.780930 142.6636 1.249069 143.1457 1.115143 143.6278 1.747581 144.1099 2.262337 144.5920 2.064255 145.0741 0.7971120 145.5563 0.4793320 146.0384 0.2429200 146.5205 1.532776 147.0026 3.456718 147.4847 6.057541 147.9668 8.290314 148.4490 9.495789 148.9311 9.367722 149.4132 8.387238 149.8953 7.618233 150.3774 7.215172 150.8595 6.845810 151.3417 6.390984 151.8238 6.192871 152.3059 6.469147 152.7880 7.368980 153.2701 8.544342 153.7522 9.044617 154.2344 8.231018 154.7165 7.419266 155.1986 6.450027 155.6807 5.513542 156.1628 4.903709 156.6449 4.790756 157.1271 5.050522 157.6092 5.168442 158.0913 5.269554 158.5734 5.119064 159.0555 4.371307 159.5376 3.206985 160.0198 2.313171 160.5019 2.053078 160.9840 2.348991 161.4661 2.791481 161.9482 3.674240 162.4303 4.430138 162.9125 4.609184 163.3946 4.232079 163.8767 3.755211 164.3588 3.398849 164.8409 3.129555 165.3230 2.857704 165.8052 2.422638 166.2873 2.117188 166.7694 2.601151 167.2515 4.287651 167.7336 5.324364 168.2157 3.988586 168.6979 1.737549 169.1800 0.3382950 169.6621 0.8470460 170.1442 2.464890 170.6263 2.880257 171.1084 1.345833 171.5906 0.2824020 172.0727 1.686165 172.5548 2.745926 173.0369 3.266891 173.5190 3.053871 174.0011 2.209137 174.4833 1.591194 174.9654 1.245224 175.4475 1.126564 175.9296 1.386047 176.4117 1.863785 176.8938 2.295135 177.3760 2.478363 177.8581 2.053299 178.3402 1.639801 178.8223 1.250641 179.3044 0.8669280 179.7865 0.4671940 180.2687 6.4208999E-02 180.7508 0.3174970 181.2329 0.6723330 181.7150 1.004593 182.1971 1.129723 182.6792 0.7107930 183.1614 0.3896260 183.6435 0.5647350 184.1256 1.238991 184.6077 2.144066 185.0898 3.125786 185.5719 4.176079 186.0540 4.930016 186.5362 5.288414 187.0183 5.397118 187.5004 5.308456 187.9825 5.013176 188.4646 4.733398 188.9467 4.604309 189.4289 4.641037 189.9110 4.971802 190.3931 5.841743 190.8752 6.958725 191.3573 7.889030 191.8394 8.585022 192.3216 9.140961 192.8037 9.636497 193.2858 10.05944 193.7679 10.35586 194.2500 10.33719 194.7321 10.15656 195.2143 10.39565 195.6964 11.50500 196.1785 12.32492 196.6606 11.78764 197.1427 10.49664 197.6248 9.813362 198.1070 11.06015 198.5891 13.95976 199.0712 15.61173 199.5533 14.98526 200.0354 14.13866 200.5175 13.67520 200.9997 13.61011 201.4818 13.87746 201.9639 14.49303 202.4460 15.46428 202.9281 16.23143 203.4102 16.63490 203.8924 16.95731 204.3745 17.29589 204.8566 17.62637 205.3387 17.87979 205.8208 17.97319 206.3029 17.87859 206.7851 17.82212 207.2672 17.63172 207.7493 17.62630 208.2314 18.14658 208.7135 19.03168 209.1956 19.75533 209.6778 19.79239 210.1599 19.00150 210.6420 18.69703 211.1241 19.04681 211.6062 19.62243 212.0883 20.22955 212.5705 20.85068 213.0526 21.57729 213.5347 22.56438 214.0168 23.86833 214.4989 24.64062 214.9810 24.66397 215.4632 24.38654 215.9453 23.93480 216.4274 23.36759 216.9095 22.98222 217.3916 23.07866 217.8737 23.68243 218.3559 24.19826 218.8380 24.67691 219.3201 25.05199 219.8022 25.16431 220.2843 24.99916 220.7664 24.95052 221.2486 25.47106 221.7307 26.40577 222.2128 27.06708 222.6949 27.05881 223.1770 26.88979 223.6591 27.23195 224.1413 28.19006 224.6234 29.07632 225.1055 29.17201 225.5876 28.84505 226.0697 28.76787 226.5518 29.28680 227.0340 30.01896 227.5161 30.50469 227.9982 30.72354 228.4803 30.79780 228.9624 30.76186 229.4445 30.56731 229.9267 30.14494 230.4088 29.35184 230.8909 28.49570 231.3730 28.22347 231.8551 28.81024 232.3372 29.41664 232.8194 29.67026 233.3015 29.73012 233.7836 29.73804 234.2657 29.70973 234.7478 29.71953 235.2299 29.98949 235.7121 30.75781 236.1942 31.41586 236.6763 32.01304 237.1584 32.34931 237.6405 32.10455 238.1227 31.07260 238.6048 29.63170 239.0869 28.72670 239.5690 28.44394 240.0511 28.59850 240.5332 29.52863 241.0154 30.61472 241.4975 31.24675 241.9796 31.16711 242.4617 30.58800 242.9438 30.01324 243.4259 29.28172 243.9081 28.82620 244.3902 28.80981 244.8723 28.99574 245.3544 29.21331 245.8365 29.38908 246.3186 29.47488 246.8007 29.36585 247.2829 29.04982 247.7650 28.51868 248.2471 27.50755 248.7292 26.43513 249.2113 25.76883 249.6934 25.64708 250.1756 25.73488 250.6577 25.36827 251.1398 24.02671 251.6219 23.01978 252.1040 22.26663 252.5861 21.82210 253.0683 21.99337 253.5504 22.81149 254.0325 23.66472 254.5146 23.52341 254.9967 21.65600 255.4788 20.05932 255.9610 18.55193 256.4431 17.42796 256.9252 17.10848 257.4073 17.63322 257.8894 18.36077 258.3716 18.41740 258.8537 17.45430 259.3358 16.67066 259.8179 16.28414 260.3000 15.94863 260.7821 15.22943 261.2643 14.08020 261.7464 13.02266 262.2285 12.68282 262.7106 13.27685 263.1927 13.59499 263.6748 13.50151 264.1570 13.19962 264.6391 12.83334 265.1212 12.42367 265.6033 11.94640 266.0854 11.31951 266.5675 10.54689 267.0497 10.07644 267.5318 10.14788 268.0139 10.36710 268.4960 10.28127 268.9781 9.901604 269.4602 9.881172 269.9424 10.96842 270.4245 12.92994 270.9066 14.03830 271.3887 13.80743 271.8708 13.05103 272.3529 12.18574 272.8351 11.24979 273.3172 10.54577 273.7993 10.28770 274.2814 10.42258 274.7635 10.64727 275.2456 11.04533 275.7278 11.43328 276.2099 11.61915 276.6920 11.63689 277.1741 11.77665 277.6562 12.22574 278.1383 12.85613 278.6204 13.38918 279.1025 13.83953 279.5847 14.17273 280.0668 14.31547 280.5489 14.29787 281.0310 14.27489 281.5131 14.22219 281.9952 14.28291 282.4774 14.70133 282.9595 15.55920 283.4416 16.28959 283.9237 16.47431 284.4058 16.22696 284.8879 16.00399 285.3701 15.90410 285.8522 15.89036 286.3343 15.90385 286.8164 15.94450 287.2985 16.05966 287.7806 16.28892 288.2628 16.61554 288.7449 16.99235 289.2270 17.44273 289.7091 17.89059 290.1912 18.29714 290.6733 18.65879 291.1555 18.96147 291.6376 19.28177 292.1197 19.53701 292.6018 19.53242 293.0839 19.24208 293.5660 18.75463 294.0482 17.96706 294.5303 17.00975 295.0124 16.12490 295.4945 15.42303 295.9766 14.93886 296.4587 14.87230 296.9409 15.45095 297.4230 15.65955 297.9051 14.63329 298.3872 13.03062 298.8693 11.57394 299.3514 10.48647 299.8336 9.587517 300.3157 8.571396 300.7978 7.366043 301.2799 6.453094 301.7620 6.501198 302.2441 6.671722 302.7263 6.123032 303.2084 4.617409 303.6905 2.902802 304.1726 1.657379 304.6547 0.8909910 305.1368 0.4598920 305.6190 0.6104280 306.1011 0.8727260 306.5832 0.9362340 307.0653 0.7747040 307.5474 0.4165120 308.0295 0.3087690 308.5117 1.338860 308.9938 1.900177 309.4759 1.642853 309.9580 1.161491 310.4401 0.7658000 310.9222 0.4810330 311.4044 0.3725660 311.8865 0.7868730 312.3686 1.485649 312.8507 1.293129 313.3328 0.4143450 313.8149 1.961487 314.2971 2.399559 314.7792 2.081505 315.2613 1.617523 315.7434 1.186562 316.2255 0.8429110 316.7076 0.7198410 317.1898 0.8656390 317.6719 1.098686 318.1540 1.376389 318.6361 1.680748 319.1182 1.977127 319.6003 2.233345 320.0825 2.543594 320.5646 3.136078 321.0467 4.098015 321.5288 4.782326 322.0109 4.756500 322.4930 4.496399 322.9752 4.282242 323.4573 4.152695 323.9394 4.229362 324.4215 4.835564 324.9036 5.949425 325.3857 6.558189 325.8679 6.169945 326.3500 5.515816 326.8321 5.117325 327.3142 4.952393 327.7963 4.789696 328.2784 4.325203 328.7606 3.688675 329.2427 3.551666 329.7248 4.164520 330.2069 4.921524 330.6890 5.607430 331.1711 6.154381 331.6533 6.388039 332.1354 6.077766 332.6175 5.482323 333.0996 5.125351 333.5817 5.050682 334.0638 5.068733 334.5460 5.384644 335.0281 5.637085 335.5102 5.255325 335.9923 3.825333 336.4744 2.338196 336.9565 2.245293 337.4387 3.661781 337.9208 4.411690 338.4029 3.201897 338.8850 1.407654 339.3671 0.3837970 339.8492 0.2658230 340.3314 0.3982770 340.8135 0.2908940 341.2956 2.7920001E-03 341.7777 0.1199650 342.2598 7.7118002E-02 342.7419 0.4153210 343.2241 0.7265930 343.7062 0.9624330 344.1883 1.044991 344.6704 0.7801210 345.1525 0.3521580 345.6346 0.2019650 346.1168 0.4348140 346.5989 0.7157750 347.0810 0.7938690 347.5631 0.6935350 348.0452 0.4781270 348.5273 6.0997002E-02 349.0095 0.3720170 349.4916 0.5575030 349.9737 0.4848940 350.4558 0.5233840 350.9379 1.085686 351.4200 1.700134 351.9022 1.554230 352.3843 0.3337710 352.8664 0.9554210 353.3485 1.555351 353.8306 1.587486 354.3127 1.719444 354.7949 2.311874 355.2770 2.886383 355.7591 2.533112 356.2412 1.231766 356.7233 0.4673610 357.2054 1.260521 357.6876 2.762634 358.1697 3.556992 358.6518 3.385319 359.1339 3.037769 359.6160 3.267033 360.0981 3.938808 360.5803 4.307827 361.0624 3.907398 361.5445 3.513062 362.0266 3.638313 362.5087 4.253098 362.9908 5.221069 363.4730 6.693146 363.9551 8.304546 364.4372 8.976734 364.9193 8.215969 365.4014 7.426292 365.8835 7.217377 366.3657 7.356678 366.8478 7.418606 367.3299 7.284557 367.8120 7.115746 368.2941 7.157894 368.7762 7.451267 369.2584 7.712402 369.7405 7.915169 370.2226 8.083519 370.7047 8.200615 371.1868 8.319012 371.6689 8.428616 372.1511 8.521706 372.6332 8.599583 373.1153 8.757233 373.5974 9.214489 374.0795 9.528397 374.5616 9.382469 375.0438 8.916946 375.5259 8.485470 376.0080 8.279644 376.4901 8.253555 376.9722 8.253159 377.4543 8.358696 377.9365 8.386452 378.4186 8.166908 378.9007 7.927647 379.3828 8.050484 379.8649 8.603336 380.3470 9.123997 380.8292 8.938553 381.3113 7.744648 381.7934 6.699829 382.2755 5.574654 382.7576 4.767952 383.2397 4.715939 383.7219 5.238129 384.2040 5.735622 384.6861 5.721092 385.1682 5.235844 385.6503 4.934624 386.1324 5.217857 386.6146 5.241875 387.0967 4.581085 387.5788 3.673164 388.0609 3.063057 388.5430 2.985390 389.0251 3.279110 389.5073 3.678120 389.9894 4.418045 390.4715 4.743519 390.9536 4.371326 391.4357 3.825451 391.9178 3.434597 392.4000 3.223217 392.8821 2.996822 393.3642 2.467625 393.8463 1.610123 394.3284 1.326118 394.8105 2.196022 395.2927 2.990417 395.7748 3.322865 396.2569 3.294926 396.7390 3.079643 397.2211 2.727829 397.7032 2.313160 398.1854 2.043560 398.6675 2.023178 399.1496 1.825397 399.6317 0.7818110 400.1138 0.1461180 400.5959 2.0602999E-02 401.0780 1.293159 401.5602 2.725697 402.0423 3.354885 402.5244 3.221966 403.0065 2.687115 403.4886 1.377720 403.9707 0.2880210 404.4529 0.2851140 404.9350 1.045147 405.4171 1.665630 405.8992 1.700649 406.3813 1.403969 406.8634 1.136665 407.3456 0.9070050 407.8277 0.6996960 408.3098 0.5512540 408.7919 0.3605270 409.2740 5.5984002E-02 409.7561 0.8116070 410.2383 1.346352 410.7204 1.162868 411.2025 0.5495680 411.6846 0.3802990 412.1667 0.9781950 412.6488 1.775070 413.1310 2.073074 413.6131 1.897591 414.0952 1.636528 414.5773 1.385323 415.0594 1.056114 415.5415 0.4864540 416.0237 0.2913060 416.5058 1.011982 416.9879 1.557339 417.4700 1.881104 417.9521 1.742577 418.4342 0.4493870 418.9164 0.4022940 419.3985 2.7424000E-02 419.8806 0.9480510 420.3627 1.598133 420.8448 1.628281 421.3269 1.375240 421.8091 1.343441 422.2912 1.672451 422.7733 1.818951 423.2554 1.724449 423.7375 1.515549 424.2196 1.163944 424.7018 0.7494130 425.1839 0.4946290 425.6660 0.5936390 426.1481 0.9587170 426.6302 0.9699130 427.1123 0.1046330 427.5945 0.6162720 428.0766 0.1281470 428.5587 1.270168 429.0408 1.908146 429.5229 1.785336 430.0050 1.362534 430.4872 1.273403 430.9693 1.583725 431.4514 1.952774 431.9335 2.517620 432.4156 3.014446 432.8977 3.383415 433.3799 3.598434 433.8620 3.581188 434.3441 3.132591 434.8262 2.538494 435.3083 2.790359 435.7904 4.338345 436.2726 5.477535 436.7547 5.031208 437.2368 4.201542 437.7189 4.082737 438.2010 4.906578 438.6831 5.988552 439.1653 6.770565 439.6474 7.308498 440.1295 7.994324 440.6116 9.100128 441.0937 9.937878 441.5758 9.468521 442.0580 8.170307 442.5401 7.567055 443.0222 8.715698 443.5043 10.31075 443.9864 10.89525 444.4685 10.59083 444.9507 10.61268 445.4328 11.65860 445.9149 13.24709 446.3970 14.24604 446.8791 14.48703 447.3612 14.74989 447.8434 15.20373 448.3255 15.81348 448.8076 16.55308 449.2897 17.41667 449.7718 18.35769 450.2539 19.31619 450.7361 20.29033 451.2182 21.49245 451.7003 23.45674 452.1824 25.03210 452.6645 25.31817 453.1466 25.04318 453.6288 25.54716 454.1109 27.42184 454.5930 29.92982 455.0751 31.57534 455.5572 31.69331 456.0393 32.23269 456.5215 33.27700 457.0036 34.59422 457.4857 36.28941 457.9678 38.13326 458.4499 39.65279 458.9320 40.35359 459.4142 40.43438 459.8963 41.36927 460.3784 43.87575 460.8605 45.94939 461.3426 46.89526 461.8247 47.29199 462.3069 47.56866 462.7890 47.85378 463.2711 48.52643 463.7532 50.27147 464.2353 52.99170 464.7174 55.17277 465.1996 56.54452 465.6817 57.48780 466.1638 58.28782 466.6459 58.90661 467.1280 59.18867 467.6101 58.74673 468.0923 58.21680 468.5744 58.41126 469.0565 59.29170 469.5386 60.20110 470.0207 60.97591 470.5028 61.42281 470.9850 61.11142 471.4671 59.93705 471.9492 58.98018 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