#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:53 +0300 (Thu, 26 Apr 2018) $ #$Revision: 599 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000138.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_1000138 loop_ _publ_author_name 'Nomura, S. F.' 'Atencio, D.' 'Chukanov, N. V.' 'Rastsvetaeva, R. K.' 'Coutinho, J. M. V.' 'Karipidis, T. K.' _publ_section_title ; Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil ; _journal_name_full 'Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva' _journal_page_first 35 _journal_page_last 47 _journal_volume 139 _journal_year 2010 _chemical_compound_source 'Pocos de Caldas massif, Minas Gerais, Brazil' _chemical_formula_sum 'C2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24' _chemical_name_mineral Manganoeudialyte _space_group_IT_number 160 _symmetry_space_group_name_Hall 'R 3 -2"' _symmetry_space_group_name_H-M 'R 3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 14.2418 _cell_length_b 14.2418 _cell_length_c 30.1143 _cell_volume 5289.726 _exptl_crystal_density_diffrn 3.096 _cod_original_sg_symbol_H-M 'R 3 m' _cod_original_formula_sum 'Zr9.24 Ca18 Si75.57 O254.37 Mn5.72 Fe3.6 Na47.84 Al.75 Nb.87 Ti.57 K1.17 Sr2.43 Ce.18 H40.56 C2.64 F.39' _cod_database_code 9015914 _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 R110212.rod _rod_data_source.block 3500000 _rod_database.code 1000138 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 9015914 COD http://www.crystallography.net/cod/9015914.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 129.6907 0.0000000E+00 130.1729 0.1265870 130.6550 6.5552004E-02 131.1371 1.721252 131.6192 4.448669 132.1013 7.215942 132.5834 9.433960 133.0656 12.64569 133.5477 17.13940 134.0298 22.19641 134.5119 27.40869 134.9940 32.61615 135.4761 37.76361 135.9583 42.66089 136.4404 46.62512 136.9225 51.08289 137.4046 56.40887 137.8867 62.24023 138.3688 68.17896 138.8510 74.19208 139.3331 80.00641 139.8152 84.60333 140.2973 87.56885 140.7794 90.14160 141.2615 92.91205 141.7437 95.69891 142.2258 97.75232 142.7079 98.35443 143.1900 98.20392 143.6721 98.78717 144.1542 100.9209 144.6364 102.9341 145.1185 102.9520 145.6006 100.7643 146.0827 97.93604 146.5648 95.13977 147.0469 92.55969 147.5291 89.35651 148.0112 85.11029 148.4933 80.89520 148.9754 77.80713 149.4575 76.26392 149.9396 74.30408 150.4218 70.95032 150.9039 67.04590 151.3860 62.98499 151.8681 58.98682 152.3502 55.17041 152.8323 51.15277 153.3145 46.26385 153.7966 42.08966 154.2787 39.47870 154.7608 38.09454 155.2429 36.51526 155.7250 33.46130 156.2072 28.83734 156.6893 25.39398 157.1714 23.86053 157.6535 22.41626 158.1356 20.28162 158.6177 17.55457 159.0999 14.93469 159.5820 13.08258 160.0641 12.14380 160.5462 11.12317 161.0283 9.875549 161.5104 8.651184 161.9926 7.760437 162.4747 7.236084 162.9568 6.606445 163.4389 5.136047 163.9210 2.889404 164.4031 1.328064 164.8853 1.259583 165.3674 1.859314 165.8495 1.887695 166.3316 1.053162 166.8137 3.2837000E-02 167.2958 0.8575440 167.7780 1.463989 168.2601 1.939209 168.7422 2.351929 169.2243 2.673889 169.7064 2.754883 170.1885 2.389954 170.6707 2.016235 171.1528 2.004395 171.6349 2.268188 172.1170 2.436279 172.5991 2.144958 173.0812 1.366882 173.5634 0.7202150 174.0455 0.3547360 174.5276 3.6132999E-02 175.0097 0.3305660 175.4918 0.7433470 175.9739 1.135254 176.4561 1.327576 176.9382 1.078003 177.4203 1.500122 177.9024 3.468811 178.3845 5.344971 178.8666 6.042725 179.3488 5.549072 179.8309 4.744019 180.3130 4.855408 180.7951 6.288635 181.2772 8.010925 181.7593 10.72296 182.2415 13.39557 182.7236 14.84613 183.2057 14.77148 183.6878 14.12878 184.1699 14.84570 184.6520 18.11444 185.1342 20.93695 185.6163 23.50671 186.0984 25.58484 186.5805 26.77368 187.0626 27.12360 187.5447 27.67828 188.0269 29.04364 188.5090 31.40100 188.9911 33.72302 189.4732 35.79175 189.9553 37.67279 190.4374 39.40729 190.9196 40.95886 191.4017 42.50525 191.8838 44.26843 192.3659 46.19446 192.8480 48.42419 193.3301 51.47479 193.8123 54.98608 194.2944 57.57178 194.7765 58.45215 195.2586 58.75885 195.7407 59.71753 196.2228 61.33301 196.7050 63.11700 197.1871 64.80267 197.6692 66.38788 198.1513 67.82727 198.6334 69.26520 199.1155 70.38721 199.5977 70.84796 200.0798 70.67145 200.5619 70.41113 201.0440 70.70691 201.5261 71.69867 202.0082 72.34814 202.4904 72.42047 202.9725 72.18518 203.4546 71.65381 203.9367 70.87299 204.4188 70.02020 204.9009 69.32794 205.3831 68.87592 205.8652 68.34003 206.3473 67.80920 206.8294 67.12164 207.3115 66.23602 207.7936 65.11938 208.2758 63.68805 208.7579 61.70044 209.2400 58.43292 209.7221 56.28601 210.2042 56.22882 210.6863 56.41785 211.1685 55.54926 211.6506 53.39514 212.1327 50.67291 212.6148 48.39441 213.0969 46.84564 213.5790 45.21771 214.0612 43.38660 214.5433 41.54480 215.0254 39.89722 215.5075 38.48480 215.9896 37.09503 216.4717 35.42285 216.9539 33.26868 217.4360 31.28320 217.9181 29.62335 218.4002 28.07159 218.8823 26.36914 219.3644 24.45288 219.8466 22.51331 220.3287 20.76276 220.8108 19.15118 221.2929 17.95538 221.7750 17.58508 222.2571 17.48395 222.7393 17.03558 223.2214 16.12659 223.7035 14.88336 224.1856 13.23962 224.6677 11.19946 225.1498 9.453003 225.6320 8.392456 226.1141 7.708862 226.5962 6.899231 227.0783 5.879517 227.5604 4.781616 228.0425 3.658875 228.5247 2.545532 229.0068 1.627808 229.4889 1.108093 229.9710 0.8173220 230.4531 0.3783570 230.9352 0.2873540 231.4174 0.9382930 231.8995 1.345459 232.3816 1.595947 232.8637 1.923950 233.3458 2.482483 233.8279 3.215332 234.3101 3.973022 234.7922 4.888855 235.2743 5.598694 235.7564 5.985107 236.2385 6.050293 236.7206 5.723206 237.2028 4.690857 237.6849 3.227722 238.1670 2.529541 238.6491 3.140198 239.1312 3.702576 239.6133 3.497437 240.0955 2.886475 240.5776 2.530273 241.0597 3.017639 241.5418 4.024231 242.0239 3.876221 242.5060 1.403503 242.9882 0.6763310 243.4703 1.494385 243.9524 1.463135 244.4345 1.144470 244.9166 0.7885740 245.3987 0.4721680 245.8809 0.5710450 246.3630 1.283997 246.8451 2.210022 247.3272 3.468018 247.8093 4.820068 248.2914 6.016174 248.7736 6.940491 249.2557 7.546082 249.7378 7.611084 250.2199 6.484009 250.7020 5.602234 251.1841 5.337769 251.6663 5.354614 252.1484 5.232361 252.6305 4.767761 253.1126 4.087341 253.5947 3.588501 254.0768 3.453003 254.5590 3.302673 255.0411 2.965271 255.5232 2.659363 256.0053 2.625916 256.4874 2.966125 256.9695 3.612854 257.4517 4.401733 257.9338 5.731445 258.4159 6.716797 258.8980 7.185608 259.3801 7.380066 259.8622 7.454041 260.3444 7.470886 260.8265 7.610352 261.3086 8.227905 261.7907 9.848450 262.2728 11.13879 262.7549 12.14716 263.2371 12.79169 263.7192 12.83484 264.2013 12.23907 264.6834 11.42261 265.1655 10.95496 265.6476 10.77356 266.1298 11.26978 266.6119 13.15485 267.0940 15.34198 267.5761 16.69067 268.0582 17.01221 268.5403 17.14026 269.0225 18.18933 269.5046 20.56378 269.9867 21.80658 270.4688 21.07898 270.9509 19.68567 271.4330 18.62799 271.9152 18.04645 272.3973 17.74213 272.8794 17.59424 273.3615 17.61560 273.8436 17.50012 274.3257 17.15900 274.8079 16.73706 275.2900 16.13031 275.7721 15.39166 276.2542 15.15308 276.7363 16.08893 277.2184 18.05084 277.7006 19.46753 278.1827 19.95123 278.6648 20.17767 279.1469 20.57123 279.6290 21.12073 280.1111 21.70264 280.5933 22.33160 281.0754 22.88983 281.5575 23.08710 282.0396 22.77301 282.5217 22.29315 283.0038 21.75055 283.4860 21.18250 283.9681 20.77411 284.4502 20.60669 284.9323 20.67334 285.4144 20.84497 285.8965 20.96637 286.3787 21.52979 286.8608 23.27502 287.3429 25.79724 287.8250 27.57074 288.3071 27.84540 288.7892 27.45398 289.2714 27.62579 289.7535 28.39478 290.2356 29.33197 290.7177 30.41156 291.1998 31.49609 291.6819 32.29974 292.1641 32.82538 292.6462 32.89490 293.1283 31.97534 293.6104 30.22656 294.0925 29.08282 294.5746 29.45251 295.0568 30.81104 295.5389 32.09399 296.0210 33.12384 296.5031 34.00604 296.9852 34.79553 297.4673 35.57025 297.9495 36.50970 298.4316 38.07495 298.9137 39.62390 299.3958 40.08624 299.8779 39.31744 300.3600 38.42413 300.8422 37.77032 301.3243 37.39093 301.8064 37.45520 302.2885 37.87677 302.7706 38.88287 303.2527 41.25775 303.7349 45.17273 304.2170 48.10229 304.6991 47.94733 305.1812 46.52246 305.6633 46.39587 306.1454 48.28479 306.6276 50.47247 307.1097 51.38165 307.5918 51.08521 308.0739 50.87598 308.5560 51.26691 309.0381 51.83423 309.5203 52.03625 310.0024 51.81995 310.4845 51.67023 310.9666 52.18982 311.4487 53.15192 311.9308 53.36639 312.4130 52.31848 312.8951 50.84149 313.3772 49.60693 313.8593 48.60437 314.3414 47.86774 314.8235 47.59442 315.3057 47.58899 315.7878 47.30359 316.2699 46.57867 316.7520 45.85205 317.2341 45.66693 317.7162 45.73944 318.1984 45.39642 318.6805 43.94531 319.1626 42.15393 319.6447 41.25653 320.1268 41.36078 320.6089 41.84113 321.0911 42.63257 321.5732 43.51898 322.0553 44.12427 322.5374 44.13751 323.0195 44.24719 323.5016 45.37537 323.9838 47.53949 324.4659 49.39435 324.9480 50.24976 325.4301 50.63733 325.9122 51.11450 326.3943 51.66199 326.8765 52.58301 327.3586 54.16705 327.8407 56.34894 328.3228 58.85376 328.8049 62.04919 329.2870 64.91315 329.7692 66.06000 330.2513 65.66162 330.7334 65.75330 331.2155 67.77167 331.6976 70.93713 332.1797 73.40594 332.6619 74.85248 333.1440 75.97711 333.6261 77.18951 334.1082 78.50232 334.5903 80.01526 335.0724 81.83649 335.5546 83.82098 336.0367 85.90234 336.5188 88.11017 337.0009 90.00604 337.4830 91.33929 337.9651 92.15955 338.4473 92.58105 338.9294 92.57941 339.4115 92.24139 339.8936 91.53394 340.3757 90.49530 340.8578 89.41083 341.3400 88.32483 341.8221 87.30249 342.3042 86.48804 342.7863 85.94623 343.2684 85.23541 343.7505 84.04004 344.2327 82.51758 344.7148 81.07800 345.1969 79.85956 345.6790 78.59674 346.1611 76.99908 346.6432 75.10925 347.1254 72.93616 347.6075 70.13300 348.0896 67.21851 348.5717 64.87054 349.0538 63.14392 349.5359 61.77930 350.0181 60.78894 350.5002 60.01849 350.9823 58.80945 351.4644 56.67694 351.9465 54.48834 352.4286 53.02881 352.9108 52.10779 353.3929 50.64496 353.8750 47.80658 354.3571 44.43774 354.8392 42.72498 355.3214 43.30737 355.8035 43.91736 356.2856 43.89276 356.7677 43.24084 357.2498 41.97931 357.7319 40.12793 358.2141 37.92505 358.6962 35.39984 359.1783 32.31757 359.6604 30.04657 360.1425 29.52258 360.6246 29.35712 361.1068 28.11420 361.5889 25.75201 362.0710 23.55481 362.5531 22.71509 363.0352 23.14868 363.5173 22.48145 363.9995 19.39099 364.4816 16.59650 364.9637 15.63550 365.4458 16.02808 365.9279 16.49524 366.4100 16.40759 366.8922 15.89526 367.3743 15.34583 367.8564 14.26984 368.3385 13.86780 368.8206 14.60999 369.3027 15.73938 369.7849 16.53271 370.2670 16.81030 370.7491 16.72839 371.2312 16.41132 371.7133 15.62421 372.1954 15.16797 372.6776 15.42352 373.1597 15.62885 373.6418 15.32458 374.1239 14.57227 374.6060 13.64624 375.0881 12.69525 375.5703 11.74640 376.0524 11.52014 376.5345 13.10632 377.0166 14.16016 377.4987 13.85352 377.9808 12.76654 378.4630 11.68475 378.9451 10.96777 379.4272 10.59711 379.9093 10.52777 380.3914 10.76392 380.8735 11.34888 381.3557 12.47546 381.8378 13.76794 382.3199 15.21045 382.8020 16.65796 383.2841 17.56445 383.7662 16.99432 384.2484 14.47803 384.7305 13.76562 385.2126 16.71344 385.6947 19.75067 386.1768 21.62805 386.6589 22.74530 387.1411 24.11249 387.6232 26.39844 388.1053 29.29443 388.5874 31.73969 389.0695 33.88251 389.5516 35.21594 390.0338 35.08423 390.5159 34.52161 390.9980 34.26617 391.4801 34.54218 391.9622 35.60297 392.4443 38.36841 392.9265 43.19061 393.4086 46.23926 393.8907 45.47485 394.3728 44.23511 394.8549 44.55872 395.3370 46.15906 395.8192 47.60779 396.3013 47.99506 396.7834 47.53589 397.2655 46.93195 397.7476 46.22571 398.2297 45.26379 398.7119 43.64893 399.1940 41.82159 399.6761 40.43823 400.1582 39.87274 400.6403 39.31415 401.1224 37.81342 401.6046 35.41705 402.0867 33.11060 402.5688 31.07922 403.0509 29.39685 403.5330 28.18640 404.0151 27.45404 404.4973 26.71747 404.9794 25.87708 405.4615 24.86493 405.9436 23.55890 406.4257 21.95062 406.9078 20.07404 407.3900 17.91644 407.8721 15.50122 408.3542 12.96472 408.8363 9.739868 409.3184 6.926880 409.8005 5.524536 410.2827 5.208252 410.7648 4.883301 411.2469 4.078674 411.7290 2.973083 412.2111 1.908447 412.6932 0.7130130 413.1754 5.1879998E-02 413.6575 0.2577510 414.1396 0.7498780 414.6217 0.3240970 415.1038 1.143066 415.5859 2.765442 416.0681 3.675232 416.5502 3.808777 417.0323 3.848877 417.5144 3.383911 417.9965 3.266418 418.4786 4.159424 418.9608 5.618591 419.4429 6.795715 419.9250 7.250610 420.4071 7.166382 420.8892 7.039185 421.3713 6.823853 421.8535 6.627563 422.3356 6.387695 422.8177 6.206238 423.2998 6.104187 423.7819 6.117371 424.2640 6.394653 424.7462 7.291931 425.2283 8.939209 425.7104 9.288696 426.1925 6.592102 426.6746 4.455383 427.1567 4.379639 427.6389 5.423157 428.1210 6.128418 428.6031 5.811157 429.0852 4.761597 429.5673 3.483337 430.0494 1.887329 430.5316 0.3682860 431.0137 0.8204960 431.4958 2.009094 431.9779 3.433472 432.4600 5.099915 432.9421 6.788696 433.4243 8.357300 433.9064 9.815918 434.3885 11.11743 434.8706 12.03571 435.3527 13.34155 435.8348 15.98022 436.3170 19.27161 436.7991 22.06946 437.2812 23.73364 437.7633 25.30829 438.2454 28.02191 438.7275 31.67444 439.2097 34.69971 439.6918 36.26233 440.1739 37.38367 440.6560 39.72748 441.1381 43.38000 441.6202 46.79303 442.1024 49.25708 442.5845 51.40741 443.0666 54.00177 443.5487 57.09186 444.0308 60.13391 444.5129 62.66791 444.9951 64.76898 445.4772 67.29004 445.9593 70.61633 446.4414 73.83130 446.9235 76.55432 447.4056 79.02435 447.8878 81.62244 448.3699 84.47748 448.8520 87.43134 449.3341 90.25604 449.8162 92.85907 450.2983 95.57123 450.7805 98.69733 451.2626 101.6312 451.7447 104.0062 452.2268 105.9224 452.7089 107.6078 453.1910 109.1046 453.6732 110.6757 454.1553 113.5365 454.6374 118.7631 455.1195 123.4666 455.6016 127.4773 456.0837 130.6622 456.5659 132.4932 457.0480 133.0521 457.5301 133.5359 458.0122 135.3218 458.4943 138.3869 458.9764 141.1051 459.4586 143.2563 459.9407 145.2980 460.4228 147.6657 460.9049 150.0659 461.3870 151.9218 461.8691 152.8494 462.3513 153.4551 462.8334 154.5569 463.3155 156.1256 463.7976 157.3657 464.2797 157.9742 464.7618 158.2063 465.2440 158.3046 465.7261 158.2600 466.2082 158.4039 466.6903 159.2418 467.1724 160.1207 467.6545 159.8252 468.1367 158.3833 468.6188 157.7759 469.1009 159.7704 469.5830 163.5530 470.0651 165.0203 470.5472 162.0745 471.0294 159.7195 471.5115 159.6353 471.9936 160.7632 472.4757 161.7064 472.9578 162.0562 473.4399 162.4175 473.9221 163.7903 474.4042 166.7799 474.8863 167.4897 475.3684 164.1801 475.8505 160.7747 476.3326 158.5239 476.8148 157.1055 477.2969 155.8580 477.7790 154.4971 478.2611 153.2628 478.7432 152.6071 479.2253 152.6146 479.7075 152.9963 480.1896 154.5264 480.6717 155.7592 481.1538 155.4283 481.6359 153.8980 482.1180 152.8647 482.6002 153.7773 483.0823 155.8310 483.5644 156.9551 484.0465 157.1373 484.5286 157.2455 485.0107 157.3586 485.4929 157.5032 485.9750 157.7766 486.4571 158.2076 486.9392 159.0635 487.4213 160.6558 487.9034 162.7822 488.3856 165.1823 488.8677 167.9258 489.3498 169.8827 489.8319 169.5796 490.3140 167.2752 490.7961 166.7214 491.2783 169.1522 491.7604 172.0065 492.2425 174.6392 492.7246 176.7933 493.2067 177.8618 493.6888 177.6291 494.1710 176.8817 494.6531 176.8356 495.1352 177.7972 495.6173 178.5205 496.0994 178.9797 496.5815 179.2656 497.0637 179.3934 497.5458 179.3805 498.0279 179.1797 498.5100 178.7280 498.9921 178.2537 499.4742 178.6160 499.9564 180.8279 500.4385 181.2416 500.9206 177.5239 501.4027 173.3007 501.8848 170.6080 502.3669 169.5198 502.8491 169.2247 503.3312 169.8473 503.8133 170.7074 504.2954 169.6771 504.7775 166.3693 505.2596 163.0403 505.7418 160.9162 506.2239 159.2757 506.7060 157.0563 507.1881 154.1110 507.6702 151.0161 508.1523 148.3077 508.6345 145.5580 509.1166 141.8125 509.5987 136.9123 510.0808 132.1305 510.5629 128.6553 511.0450 126.3170 511.5272 122.9630 512.0093 117.4601 512.4914 112.4044 512.9735 108.9045 513.4556 106.1255 513.9377 102.8097 514.4199 98.68762 514.9020 94.58545 515.3841 91.74945 515.8662 90.55511 516.3483 88.08649 516.8304 82.46533 517.3126 77.56171 517.7947 75.13403 518.2768 73.91553 518.7589 71.88403 519.2410 68.19922 519.7231 64.08765 520.2053 61.37067 520.6874 60.15222 521.1695 58.87555 521.6516 57.32391 522.1337 55.68695 522.6158 54.36719 523.0980 53.10071 523.5801 51.07404 524.0622 47.40735 524.5443 43.45532 525.0264 40.72693 525.5085 39.05914 525.9907 37.55206 526.4728 35.87897 526.9549 34.34869 527.4370 33.50177 527.9191 33.47113 528.4012 32.85559 528.8834 30.73889 529.3655 28.50012 529.8476 27.23059 530.3297 26.79236 530.8118 26.48822 531.2939 25.87927 531.7761 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