#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:51 +0300 (Thu, 24 May 2018) $ #$Revision: 825 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000314.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_1000314 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 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 R110212.rod _rod_data_source.block 3500000 _rod_database.code 1000314 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 172.9341 0.0000000E+00 173.4163 0.8787690 173.8984 0.3867190 174.3805 0.5276790 174.8626 0.2594600 175.3447 1.413025 175.8268 3.986496 176.3090 7.177628 176.7911 10.87851 177.2732 14.56877 177.7553 16.60046 178.2374 17.33058 178.7195 18.50398 179.2017 20.79433 179.6838 23.97020 180.1659 27.93433 180.6480 32.78737 181.1301 37.44487 181.6122 40.41963 182.0944 42.28160 182.5765 44.81418 183.0586 49.58139 183.5407 55.42490 184.0228 60.11617 184.5049 63.49879 184.9871 66.16713 185.4692 68.24078 185.9513 69.93372 186.4334 72.30649 186.9155 76.62990 187.3976 82.11681 187.8798 85.96475 188.3619 87.79095 188.8440 89.04491 189.3261 91.70935 189.8082 95.71661 190.2903 99.92503 190.7725 103.8536 191.2546 107.6049 191.7367 111.2427 192.2188 114.7758 192.7009 118.1709 193.1830 121.2295 193.6652 123.9227 194.1473 126.6475 194.6294 129.6689 195.1115 132.9473 195.5936 135.9624 196.0757 138.6430 196.5579 141.1279 197.0400 143.6617 197.5221 146.2471 198.0042 148.8455 198.4863 151.5017 198.9684 154.2074 199.4506 156.8325 199.9327 159.3692 200.4148 161.7888 200.8969 164.0541 201.3790 166.2350 201.8611 168.0448 202.3433 169.1582 202.8254 169.4975 203.3075 170.2452 203.7896 171.7721 204.2717 173.5028 204.7538 173.7612 205.2360 172.2203 205.7181 170.4106 206.2002 169.3946 206.6823 169.4011 207.1644 168.7236 207.6465 166.9769 208.1287 164.8294 208.6108 163.6869 209.0929 163.5490 209.5750 163.0714 210.0571 161.5388 210.5392 158.4872 211.0214 155.4250 211.5035 152.5887 211.9856 149.4456 212.4677 146.4694 212.9498 143.5614 213.4319 139.9985 213.9140 135.5196 214.3962 129.7962 214.8783 124.3731 215.3604 119.4369 215.8425 114.9377 216.3246 110.7706 216.8067 107.1112 217.2889 103.3929 217.7710 99.10782 218.2531 93.84236 218.7352 89.19827 219.2173 85.38406 219.6994 82.23654 220.1816 79.18518 220.6637 76.15488 221.1458 73.25432 221.6279 70.69788 222.1100 68.84763 222.5921 66.25500 223.0743 62.36578 223.5564 57.62663 224.0385 54.05820 224.5206 52.30533 225.0027 50.82262 225.4848 48.53578 225.9670 44.72485 226.4491 41.96437 226.9312 40.86205 227.4133 40.99962 227.8954 40.22169 228.3775 37.97916 228.8597 35.64432 229.3418 34.12970 229.8239 33.91922 230.3060 33.42519 230.7881 32.48981 231.2702 31.19730 231.7524 29.16077 232.2345 25.77718 232.7166 22.53889 233.1987 20.42151 233.6808 20.10812 234.1629 19.34341 234.6451 17.68832 235.1272 15.44495 235.6093 13.93857 236.0914 13.41498 236.5735 13.28618 237.0556 13.32402 237.5378 13.89291 238.0199 13.85518 238.5020 13.19054 238.9841 11.88556 239.4662 9.749908 239.9483 5.975601 240.4305 2.483246 240.9126 0.3583370 241.3947 0.3715210 241.8768 6.1646000E-02 242.3589 0.7479860 242.8410 1.943985 243.3232 3.206055 243.8053 4.787430 244.2874 6.081329 244.7695 6.736801 245.2516 6.486786 245.7337 6.231323 246.2159 6.082458 246.6980 5.939392 247.1801 5.404877 247.6622 4.047119 248.1443 2.946884 248.6264 2.764557 249.1086 4.236420 249.5907 4.782120 250.0728 3.813507 250.5549 2.047134 251.0370 1.514114 251.5191 3.030411 252.0013 4.476837 252.4834 4.853516 252.9655 3.626190 253.4476 2.716736 253.9297 2.214478 254.4118 1.987091 254.8940 1.747574 255.3761 1.535187 255.8582 1.240509 256.3403 0.8179470 256.8224 0.2515260 257.3046 0.3628540 257.7867 0.9810180 258.2688 1.660706 258.7509 2.588837 259.2330 4.005875 259.7151 5.147202 260.1973 5.627350 260.6794 5.223068 261.1615 5.080902 261.6436 5.156631 262.1257 5.531540 262.6078 6.428650 263.0900 8.069000 263.5721 9.690125 264.0542 10.93938 264.5363 11.72279 265.0184 12.93932 265.5005 14.73088 265.9827 16.81778 266.4648 18.81021 266.9469 20.59581 267.4290 22.59267 267.9111 25.14082 268.3932 28.31039 268.8754 30.57256 269.3575 31.65570 269.8396 32.23914 270.3217 33.16380 270.8038 34.52419 271.2859 35.81383 271.7681 36.82384 272.2502 37.56276 272.7323 38.60680 273.2144 40.08545 273.6965 41.56299 274.1786 42.52332 274.6608 42.89235 275.1429 43.22876 275.6250 43.80325 276.1071 44.50215 276.5892 44.20013 277.0714 42.52144 277.5535 40.92570 278.0356 41.00609 278.5177 42.94667 278.9998 44.65753 279.4819 45.74887 279.9641 46.28378 280.4462 46.44014 280.9283 46.18500 281.4104 45.69031 281.8925 44.77831 282.3746 43.42978 282.8568 43.15158 283.3389 44.53137 283.8210 46.87474 284.3031 48.15695 284.7852 48.28261 285.2673 48.25888 285.7495 49.00543 286.2316 50.42868 286.7137 51.13570 287.1958 50.74635 287.6779 49.87030 288.1600 49.82988 288.6422 50.63731 289.1243 51.48882 289.6064 51.64633 290.0885 51.31598 290.5706 51.69926 291.0527 53.07347 291.5349 54.75658 292.0170 55.56247 292.4991 55.55611 292.9812 55.60309 293.4633 56.36874 293.9454 57.57137 294.4276 58.25235 294.9097 58.28854 295.3918 58.09784 295.8739 58.13753 296.3560 58.38762 296.8381 58.75415 297.3203 59.24359 297.8024 59.80754 298.2845 60.35159 298.7666 60.84116 299.2487 61.33270 299.7308 62.00359 300.2130 62.68942 300.6951 62.94673 301.1772 62.08507 301.6593 60.93341 302.1414 60.98518 302.6235 62.23828 303.1057 63.43057 303.5878 63.22934 304.0699 62.20584 304.5520 61.44421 305.0341 61.67549 305.5162 62.05679 305.9984 61.58153 306.4805 60.29774 306.9626 58.74335 307.4447 57.06006 307.9268 55.58827 308.4089 54.83780 308.8911 55.36479 309.3732 55.70717 309.8553 54.75322 310.3374 52.75871 310.8195 50.45442 311.3016 47.96402 311.7838 45.43593 312.2659 43.00003 312.7480 40.75067 313.2301 38.45859 313.7122 35.79077 314.1943 32.96075 314.6765 30.47058 315.1586 28.84050 315.6407 27.40898 316.1228 25.71945 316.6049 23.65039 317.0870 21.58864 317.5692 19.60074 318.0513 17.75668 318.5334 16.16714 319.0155 14.69315 319.4976 13.64894 319.9797 13.37552 320.4619 13.96584 320.9440 14.37553 321.4261 14.01173 321.9082 13.43974 322.3903 13.19620 322.8724 13.30151 323.3546 13.83449 323.8367 14.96095 324.3188 16.65640 324.8009 18.32738 325.2830 20.07797 325.7651 21.64136 326.2473 22.84068 326.7294 22.87791 327.2115 23.46396 327.6936 25.04878 328.1757 27.41626 328.6578 29.52704 329.1400 30.69769 329.6221 32.18126 330.1042 34.58099 330.5863 38.89830 331.0684 42.48531 331.5505 44.97711 332.0327 46.78508 332.5148 48.74026 332.9969 50.53174 333.4790 52.90695 333.9611 56.53421 334.4432 62.25334 334.9254 65.63321 335.4075 65.44623 335.8896 63.90634 336.3717 64.18677 336.8538 67.11319 337.3359 69.87367 337.8180 71.79358 338.3001 72.87570 338.7823 73.27065 339.2644 72.83850 339.7465 72.01007 340.2286 71.20728 340.7107 70.48827 341.1928 69.51282 341.6750 68.16586 342.1571 66.55202 342.6392 65.18436 343.1213 64.09430 343.6034 63.02663 344.0855 61.86298 344.5677 60.60738 345.0498 58.89055 345.5319 56.46194 346.0140 53.91843 346.4961 52.51834 346.9782 52.22894 347.4604 52.12579 347.9425 51.67186 348.4246 50.98009 348.9067 50.56532 349.3888 50.52066 349.8709 50.42592 350.3531 49.58817 350.8352 48.21223 351.3173 47.06480 351.7994 46.55357 352.2815 46.43672 352.7636 46.38721 353.2458 46.40135 353.7279 46.31982 354.2100 45.75122 354.6921 45.02887 355.1742 44.77267 355.6563 45.55437 356.1385 46.45959 356.6206 46.62030 357.1027 46.12450 357.5848 45.42842 358.0669 44.72075 358.5490 43.97961 359.0312 43.17020 359.5133 42.22437 359.9954 41.33200 360.4775 40.86229 360.9596 40.52408 361.4417 39.71437 361.9239 38.03488 362.4060 35.93407 362.8881 33.48965 363.3702 30.57411 363.8523 28.06676 364.3344 26.61250 364.8166 25.59143 365.2987 24.28210 365.7808 22.39326 366.2629 20.36804 366.7450 18.31779 367.2271 16.24539 367.7093 14.08308 368.1914 11.60095 368.6735 9.160965 369.1556 6.975998 369.6377 4.922180 370.1198 3.358276 370.6020 2.374084 371.0841 1.897522 371.5662 1.713791 372.0483 2.228729 372.5304 2.547256 373.0125 2.261185 373.4947 1.148819 373.9768 1.9012000E-02 374.4589 1.371216 374.9410 2.568848 375.4231 2.779709 375.9052 1.746124 376.3874 0.6469120 376.8695 0.2508850 377.3516 0.9609680 377.8337 1.303650 378.3158 1.125992 378.7979 1.010834 379.2801 1.413605 379.7622 2.326981 380.2443 4.052536 380.7264 6.946274 381.2085 10.46066 381.6906 13.16577 382.1728 15.04469 382.6549 16.57469 383.1370 17.62137 383.6191 18.48187 384.1012 20.44443 384.5833 23.81958 385.0655 27.74321 385.5476 30.96611 386.0297 33.72943 386.5118 36.77020 386.9939 41.00186 387.4760 45.52818 387.9582 49.05115 388.4403 51.56699 388.9224 53.55739 389.4045 55.06210 389.8866 56.36917 390.3687 57.92191 390.8509 60.25026 391.3330 62.44501 391.8151 64.06960 392.2972 65.07910 392.7793 65.33682 393.2614 64.07784 393.7436 62.53963 394.2257 61.64752 394.7078 61.89084 395.1899 61.86272 395.6720 60.82027 396.1541 59.24423 396.6363 57.87122 397.1184 57.44077 397.6005 56.65164 398.0826 54.68141 398.5647 51.24159 399.0468 49.16495 399.5290 50.20088 400.0111 51.83244 400.4932 51.98227 400.9753 48.84937 401.4574 46.63528 401.9395 46.15659 402.4217 47.07892 402.9038 47.72284 403.3859 48.08540 403.8680 48.02347 404.3501 47.39572 404.8322 46.18596 405.3144 44.64059 405.7965 42.66502 406.2786 40.63177 406.7607 39.02087 407.2428 37.81227 407.7249 36.94693 408.2071 36.53125 408.6892 36.45660 409.1713 36.20004 409.6534 35.80312 410.1355 35.03856 410.6176 33.48096 411.0998 31.30122 411.5819 29.36525 412.0640 27.76324 412.5461 26.54521 413.0282 25.86955 413.5103 25.65822 413.9925 25.54259 414.4746 25.49373 414.9567 25.36089 415.4388 24.89777 415.9209 24.05502 416.4030 22.99229 416.8852 21.66170 417.3673 20.21265 417.8494 18.91330 418.3315 17.99026 418.8136 17.14139 419.2957 16.05153 419.7779 14.77138 420.2600 13.66013 420.7421 13.09895 421.2242 12.66794 421.7063 12.02788 422.1884 10.92961 422.6706 9.961655 423.1527 9.536713 423.6348 9.319473 424.1169 8.697723 424.5990 6.565018 425.0811 4.913620 425.5633 4.511307 426.0454 5.594986 426.5275 6.173752 427.0096 6.180603 427.4917 5.774643 427.9738 5.026840 428.4560 3.657501 428.9381 2.527451 429.4202 1.730988 429.9023 1.254791 430.3844 1.116684 430.8665 1.530731 431.3487 1.694809 431.8308 0.9729460 432.3129 0.7160640 432.7950 1.626831 433.2771 1.593994 433.7592 1.094498 434.2414 0.7573850 434.7235 0.5662540 435.2056 0.2644650 435.6877 0.2099150 436.1698 0.8616490 436.6519 1.972000 437.1341 3.489319 437.6162 4.527023 438.0983 3.839691 438.5804 2.375977 439.0625 1.852692 439.5446 2.720123 440.0268 3.983551 440.5089 5.037567 440.9910 5.826355 441.4731 6.230087 441.9552 5.814148 442.4373 5.298157 442.9195 5.234268 443.4016 5.620659 443.8837 5.800674 444.3658 5.407631 444.8479 4.745750 445.3300 4.050629 445.8122 3.098930 446.2943 2.454544 446.7764 2.389763 447.2585 2.699951 447.7406 2.863304 448.2227 2.676414 448.7049 2.510040 449.1870 2.569962 449.6691 2.993736 450.1512 2.793694 450.6333 1.631180 451.1154 0.2253800 451.5976 0.7293170 452.0797 1.088142 452.5618 1.456299 453.0439 2.008621 453.5260 2.580719 454.0081 2.584648 454.4903 1.913994 454.9724 1.370369 455.4545 1.546791 455.9366 2.313278 456.4187 2.808662 456.9008 3.010231 457.3830 2.895515 457.8651 2.047356 458.3472 0.7855450 458.8293 0.2288130 459.3114 1.194221 459.7935 2.571472 460.2757 3.087906 460.7578 2.806114 461.2399 2.069954 461.7220 0.3508680 462.2041 1.317947 462.6862 1.772102 463.1684 0.5957030 463.6505 0.6435090 464.1326 1.246788 464.6147 1.397522 465.0968 1.341019 465.5789 1.145844 466.0611 0.7460780 466.5432 0.1937640 467.0253 1.562401 467.5074 2.186401 467.9895 1.329376 468.4716 0.1802750 468.9538 0.7429350 469.4359 1.522331 469.9180 1.846924 470.4001 1.470764 470.8822 0.8157500 471.3643 0.5365370 471.8465 0.7694550 472.3286 0.9936140 472.8107 1.108032 473.2928 1.106354 473.7749 0.8647690 474.2570 0.3091430 474.7392 8.6815000E-02 475.2213 0.2618790 475.7034 1.193184 476.1855 1.494186 476.6676 0.9116520 477.1497 0.1144410 477.6319 0.1320500 478.1140 0.7157440 478.5961 1.054443 479.0782 0.4868930 479.5603 0.3206790 480.0424 0.6326520 480.5246 0.4767460 481.0067 8.0092996E-02 481.4888 0.8560560 481.9709 1.725983 482.4530 1.939041 482.9352 1.181107 483.4173 0.2685780 483.8994 0.5947490 484.3815 1.387161 484.8636 2.067047 485.3457 2.523491 485.8279 2.968979 486.3100 3.388832 486.7921 3.791641 487.2742 4.452126 487.7563 5.527435 488.2384 6.712082 488.7206 7.844513 489.2027 8.930084 489.6848 9.919540 490.1669 10.69556 490.6490 11.42354 491.1311 12.48965 491.6133 13.95618 492.0954 15.45099 492.5775 16.87045 493.0596 18.22420 493.5417 19.58395 494.0238 20.93298 494.5060 22.17535 494.9881 23.17866 495.4702 24.01474 495.9523 24.86107 496.4344 25.70926 496.9165 26.67965 497.3987 27.98134 497.8808 29.48692 498.3629 30.93212 498.8450 31.99093 499.3271 33.13979 499.8092 34.75859 500.2914 36.78752 500.7735 38.74574 501.2556 40.56312 501.7377 42.21620 502.2198 43.65186 502.7019 44.75213 503.1841 45.97915 503.6662 47.78876 504.1483 49.59204 504.6304 50.65024 505.1125 50.33562 505.5946 50.30269 506.0768 51.03632 506.5589 52.26974 507.0410 52.55244 507.5231 51.53951 508.0052 50.54840 508.4873 50.43997 508.9695 51.19193 509.4516 51.18250 509.9337 50.36661 510.4158 49.12154 510.8979 47.65215 511.3800 46.04567 511.8622 44.80432 512.3443 44.16542 512.8264 43.87500 513.3085 43.61307 513.7906 43.34406 514.2728 43.09035 514.7549 42.81168 515.2370 42.62979 515.7191 42.83519 516.2012 43.50632 516.6833 43.82840 517.1655 42.69707 517.6476 41.29352 518.1297 40.70984 518.6118 41.96127 519.0939 43.19016 519.5760 44.34060 520.0582 45.29146 520.5403 45.78022 521.0224 45.20073 521.5045 44.84871 521.9866 45.16047 522.4688 46.16717 522.9509 47.23604 523.4330 48.37825 523.9151 49.61153 524.3972 51.16602 524.8793 53.04207 525.3615 54.09924 525.8436 54.06290 526.3257 53.55961 526.8078 53.45829 527.2899 53.71790 527.7720 54.17188 528.2542 55.17879 528.7363 56.08321 529.2184 55.70416 529.7005 54.22436 530.1826 52.80846 530.6647 52.37708 531.1469 52.21750 531.6290 51.70685 532.1111 50.71843 532.5932 49.69307 533.0753 48.55513 533.5574 47.47683 534.0396 46.72956 534.5217 46.97546 535.0038 46.95412 535.4859 46.23478 535.9680 45.02429 536.4501 44.05222 536.9323 43.22383 537.4144 42.96017 537.8965 43.41920 538.3786 44.58922 538.8607 46.10451 539.3428 48.01260 539.8250 49.90480 540.3071 51.35603 540.7892 52.45909 541.2713 53.70841 541.7534 55.07951 542.2355 56.75768 542.7177 59.23849 543.1998 62.31101 543.6819 65.25284 544.1640 67.66133 544.6461 69.79535 545.1282 71.79103 545.6104 73.68906 546.0925 75.75804 546.5746 77.95879 547.0567 80.49370 547.5388 83.68039 548.0209 87.87714 548.5031 91.59871 548.9852 93.72336 549.4673 95.63664 549.9494 98.83041 550.4315 104.2155 550.9136 109.4693 551.3958 114.2572 551.8779 118.8027 552.3600 123.5833 552.8421 128.5104 553.3242 134.0755 553.8063 140.7838 554.2885 148.4216 554.7706 155.2132 555.2527 161.1015 555.7348 166.7539 556.2169 172.5337 556.6990 178.5135 557.1812 185.1969 557.6633 192.8591 558.1454 200.4571 558.6275 207.0385 559.1096 212.8236 559.5917 218.3475 560.0739 223.7530 560.5560 228.9308 561.0381 233.8051 561.5202 238.3646 562.0023 242.7637 562.4844 246.5454 562.9666 250.6090 563.4487 255.4575 563.9308 261.2965 564.4129 266.7776 564.8950 271.7304 565.3771 276.5051 565.8593 281.6001 566.3414 287.3322 566.8235 292.1040 567.3056 295.8450 567.7877 298.5140 568.2698 300.3511 568.7520 301.3112 569.2341 300.3468 569.7162 297.1981 570.1983 291.8128 570.6804 283.6594 571.1625 272.9270 571.6447 260.7303 572.1268 247.2935 572.6089 233.0222 573.0910 218.3396 573.5731 203.0724 574.0552 188.1210 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