#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:35 +0300 (Thu, 24 May 2018) $ #$Revision: 863 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000347.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_1000347 loop_ _publ_author_name 'Nyfeler, D.' 'Armbruster, T.' 'Dixon, R.' 'Bermanec, V.' _publ_section_title ; Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa ; _journal_name_full 'American Mineralogist' _journal_page_first 377 _journal_page_last 386 _journal_volume 80 _journal_year 1995 _chemical_compound_source R140275 _chemical_formula_sum 'H4 Mn2 O6 Si' _chemical_name_mineral Nchwaningite _space_group_IT_number 29 _symmetry_space_group_name_Hall 'P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 12.672 _cell_length_b 7.217 _cell_length_c 5.341 _cell_volume 488.455 _exptl_crystal_density_diffrn 3.236 _cod_original_formula_sum 'Mn2 Si O6 H4' _cod_database_code 9001675 _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 R140275.rod _rod_data_source.block 3500000 _rod_database.code 1000347 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 9001675 COD http://www.crystallography.net/cod/9001675.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 89.78320 0.0000000E+00 90.26532 2.1698000E-02 90.74744 0.1284640 91.22955 4.954849 91.71167 11.10213 92.19379 15.00951 92.67590 16.67547 93.15802 16.75581 93.64014 14.14879 94.12225 9.987183 94.60437 7.678001 95.08649 9.115746 95.56860 12.42912 96.05072 13.48803 96.53284 12.77433 97.01495 10.46265 97.49707 7.925636 97.97919 5.688507 98.46130 4.326439 98.94342 4.021812 99.42554 4.670158 99.90765 5.086052 100.3898 5.382202 100.8719 5.302673 101.3540 4.260971 101.8361 1.916374 102.3182 0.1041870 102.8004 1.196106 103.2825 1.226357 103.7646 1.046822 104.2467 0.8597720 104.7288 0.3987120 105.2109 0.9989470 105.6931 3.529503 106.1752 6.643326 106.6573 10.27953 107.1394 15.76203 107.6215 19.57243 108.1036 21.68718 108.5858 22.17555 109.0679 21.09395 109.5500 16.88747 110.0321 12.29566 110.5142 8.799248 110.9963 6.596687 111.4785 5.196953 111.9606 4.812698 112.4427 5.393990 112.9248 5.911705 113.4069 5.773537 113.8890 5.728737 114.3712 6.384682 114.8533 8.542343 115.3354 10.77958 115.8175 12.70263 116.2996 14.32250 116.7817 15.64020 117.2639 16.62317 117.7460 17.34113 118.2281 17.88055 118.7102 18.22771 119.1923 18.44191 119.6744 18.36228 120.1566 17.79756 120.6387 17.74542 121.1208 18.89030 121.6029 20.98601 122.0850 23.53875 122.5671 26.74498 123.0493 30.08235 123.5314 33.29272 124.0135 36.76553 124.4956 39.02818 124.9777 37.86971 125.4598 33.97765 125.9420 29.96429 126.4241 27.19115 126.9062 25.49130 127.3883 24.57608 127.8704 24.41922 128.3525 24.97299 128.8347 26.56445 129.3168 29.13689 129.7989 31.51041 130.2810 32.40358 130.7631 32.19955 131.2452 32.58044 131.7274 34.28870 132.2095 36.70444 132.6916 37.94809 133.1737 37.87502 133.6558 37.71581 134.1379 38.35568 134.6201 39.80424 135.1022 42.71303 135.5843 47.67551 136.0664 54.40703 136.5485 60.81531 137.0306 67.14604 137.5128 72.62512 137.9949 76.62184 138.4770 79.18588 138.9591 80.00459 139.4412 78.73732 139.9233 75.27516 140.4055 71.19884 140.8876 66.17386 141.3697 60.85172 141.8518 56.18735 142.3339 52.11914 142.8160 48.87231 143.2982 46.56244 143.7803 45.30907 144.2624 44.75455 144.7445 45.38383 145.2266 46.55936 145.7087 46.76443 146.1909 45.50620 146.6730 43.91867 147.1551 42.41048 147.6372 40.97173 148.1193 39.66483 148.6014 38.34926 149.0836 37.16902 149.5657 36.56833 150.0478 36.32323 150.5299 36.84003 151.0120 38.31485 151.4941 41.53545 151.9763 44.75061 152.4584 48.34587 152.9405 52.07643 153.4226 54.80748 153.9047 56.79269 154.3868 57.52400 154.8690 56.73085 155.3511 54.18494 155.8332 50.33263 156.3153 44.46625 156.7974 36.90686 157.2795 30.16006 157.7617 24.90561 158.2438 20.57614 158.7259 16.76102 159.2080 13.28677 159.6901 10.37413 160.1722 8.223618 160.6544 6.799744 161.1365 5.505936 161.6186 3.770416 162.1007 2.221695 162.5828 1.424210 163.0649 2.547806 163.5471 3.644958 164.0292 3.629013 164.5113 2.460892 164.9934 1.415207 165.4755 1.313446 165.9576 1.647598 166.4398 1.788025 166.9219 1.245041 167.4040 0.6039280 167.8861 0.2315830 168.3682 0.1491700 168.8503 0.2400050 169.3325 0.3935700 169.8146 0.6783140 170.2967 1.196686 170.7788 2.371155 171.2609 3.599411 171.7430 4.112534 172.2252 3.763504 172.7073 3.655151 173.1894 4.933945 173.6715 7.151672 174.1536 9.242615 174.6357 10.36726 175.1179 11.25523 175.6000 12.77437 176.0821 14.99799 176.5642 17.73779 177.0463 21.24855 177.5284 25.24155 178.0106 28.76990 178.4927 31.43059 178.9748 33.29659 179.4569 34.37280 179.9390 34.62387 180.4211 34.28442 180.9033 33.64082 181.3854 32.65744 181.8675 31.19308 182.3496 28.94896 182.8317 26.17935 183.3138 23.34526 183.7960 20.49796 184.2781 17.65302 184.7602 14.79243 185.2423 11.92261 185.7244 9.318710 186.2065 7.042587 186.6887 5.132507 187.1708 3.756256 187.6529 3.025864 188.1350 2.635498 188.6171 1.995575 189.0992 1.115280 189.5814 0.5084230 190.0635 0.6247860 190.5456 1.372055 191.0277 2.086655 191.5098 2.692642 191.9919 3.243820 192.4741 3.745712 192.9562 4.183075 193.4383 4.875031 193.9204 6.149231 194.4025 7.956436 194.8846 9.580063 195.3668 10.93806 195.8489 12.11209 196.3310 13.26500 196.8131 14.38364 197.2952 15.33913 197.7773 16.09888 198.2595 16.66191 198.7416 16.88426 199.2237 16.61806 199.7058 16.14908 200.1879 16.26367 200.6700 17.03302 201.1522 17.94493 201.6343 18.63080 202.1164 19.04994 202.5985 19.59961 203.0806 20.32704 203.5627 21.26335 204.0449 22.42455 204.5270 23.79651 205.0091 25.43655 205.4912 27.40958 205.9733 29.74319 206.4554 32.23450 206.9376 34.85289 207.4197 37.60655 207.9018 40.56110 208.3839 43.60979 208.8660 47.15251 209.3481 51.46745 209.8303 56.67307 210.3124 62.27577 210.7945 68.44295 211.2766 74.91676 211.7587 80.85979 212.2408 86.19966 212.7230 91.19112 213.2051 96.24278 213.6872 101.7483 214.1693 105.9917 214.6514 108.8589 215.1335 110.3009 215.6157 109.8621 216.0978 107.0932 216.5799 103.2482 217.0620 99.01706 217.5441 94.28024 218.0262 89.41483 218.5084 84.24240 218.9905 78.89560 219.4726 74.32779 219.9547 70.65984 220.4368 67.44395 220.9189 64.43260 221.4011 61.54906 221.8832 59.01169 222.3653 56.78502 222.8474 54.91643 223.3295 53.54149 223.8116 52.78224 224.2938 52.36667 224.7759 52.18158 225.2580 52.34663 225.7401 52.45894 226.2222 52.52931 226.7043 52.52429 227.1865 52.38016 227.6686 52.38866 228.1507 51.82495 228.6328 50.11942 229.1149 46.54518 229.5970 43.57787 230.0792 41.63379 230.5613 40.40749 231.0434 38.72372 231.5255 36.29305 232.0076 33.86935 232.4897 31.92688 232.9719 30.78804 233.4540 29.39180 233.9361 27.47929 234.4182 25.29138 234.9003 23.67685 235.3824 22.94078 235.8646 22.34045 236.3467 21.47403 236.8288 20.06140 237.3109 19.02252 237.7930 18.55434 238.2751 18.44119 238.7573 18.00423 239.2394 16.92056 239.7215 15.97020 240.2036 15.56532 240.6857 16.14365 241.1678 16.25128 241.6500 15.70409 242.1321 14.73622 242.6142 13.92252 243.0963 13.29901 243.5784 12.78561 244.0605 12.40787 244.5427 12.36160 245.0248 11.92502 245.5069 10.92612 245.9890 9.603790 246.4711 8.519272 246.9532 7.851212 247.4354 7.114410 247.9175 6.106171 248.3996 4.703262 248.8817 3.413986 249.3638 2.225464 249.8459 1.161270 250.3281 0.2634120 250.8102 0.4635770 251.2923 1.025864 251.7744 1.379272 252.2565 1.425568 252.7386 1.691193 253.2208 2.358948 253.7029 3.111038 254.1850 3.434753 254.6671 3.155334 255.1492 2.786758 255.6313 2.445145 256.1135 2.108704 256.5956 2.003464 257.0777 2.296021 257.5598 2.667160 258.0419 2.680603 258.5240 2.251129 259.0062 1.659378 259.4883 0.9230040 259.9704 3.7872002E-02 260.4525 0.6996770 260.9346 1.197952 261.4167 1.652344 261.8989 2.310898 262.3810 3.261963 262.8631 4.160477 263.3452 4.845108 263.8273 5.331650 264.3094 6.183929 264.7916 7.485931 265.2737 9.045044 265.7558 10.66675 266.2379 12.25929 266.7200 14.21472 267.2021 16.75618 267.6843 19.79391 268.1664 22.51784 268.6485 24.82166 269.1306 27.01958 269.6127 29.33328 270.0948 31.76117 270.5770 34.27711 271.0591 36.91212 271.5412 39.60034 272.0233 42.03098 272.5054 44.01720 272.9875 46.14148 273.4697 48.87210 273.9518 52.32976 274.4339 55.72478 274.9160 58.85622 275.3981 61.91580 275.8802 65.49902 276.3624 69.51814 276.8445 74.21274 277.3266 79.93269 277.8087 86.75717 278.2908 93.43726 278.7729 99.81189 279.2551 106.0597 279.7372 112.6965 280.2193 119.9308 280.7014 126.3324 281.1835 131.2495 281.6656 134.6868 282.1478 136.9083 282.6299 137.8634 283.1120 137.7280 283.5941 136.6845 284.0762 134.7082 284.5583 132.1401 285.0405 128.7642 285.5226 124.7231 286.0047 121.3753 286.4868 118.7945 286.9689 116.6844 287.4510 114.6225 287.9332 112.6228 288.4153 110.9628 288.8974 109.5865 289.3795 108.6373 289.8616 108.8364 290.3438 110.2563 290.8259 112.4032 291.3080 114.9541 291.7901 117.7958 292.2722 120.4608 292.7543 122.5676 293.2365 124.4952 293.7186 127.2749 294.2007 130.9072 294.6828 134.4489 295.1649 136.9450 295.6470 138.6133 296.1292 140.2906 296.6113 142.2981 297.0934 144.2581 297.5755 145.6453 298.0576 146.4737 298.5397 146.8292 299.0219 146.8418 299.5040 146.4219 299.9861 145.3182 300.4682 143.3800 300.9503 141.0367 301.4324 138.8069 301.9146 136.6002 302.3967 133.9598 302.8788 130.5573 303.3609 126.5943 303.8430 122.3332 304.3251 117.7052 304.8073 113.2244 305.2894 109.1482 305.7715 105.5534 306.2536 102.5140 306.7357 100.4325 307.2178 98.76448 307.7000 96.95100 308.1821 94.91516 308.6642 92.98886 309.1463 91.73550 309.6284 90.73064 310.1105 89.29634 310.5927 86.45247 311.0748 83.54997 311.5569 81.70764 312.0390 80.96561 312.5211 80.18192 313.0032 78.79286 313.4854 76.97694 313.9675 74.93961 314.4496 72.78105 314.9317 70.35895 315.4138 67.53482 315.8959 64.37361 316.3781 61.09174 316.8602 57.44313 317.3423 53.94980 317.8244 51.01624 318.3065 48.90466 318.7886 47.04317 319.2708 45.41502 319.7529 43.93364 320.2350 42.34984 320.7171 40.17337 321.1992 38.20430 321.6813 36.93463 322.1635 36.84801 322.6456 36.48717 323.1277 35.21587 323.6098 33.55020 324.0919 32.34996 324.5740 32.34427 325.0562 32.29170 325.5383 31.90588 326.0204 31.23961 326.5025 29.95863 326.9846 27.23721 327.4667 24.22610 327.9489 22.11945 328.4310 21.86859 328.9131 21.46886 329.3952 20.54056 329.8773 19.06874 330.3594 17.76906 330.8416 16.69319 331.3237 15.76004 331.8058 14.91469 332.2879 14.12476 332.7700 13.47513 333.2521 12.98840 333.7343 12.64227 334.2164 12.33543 334.6985 12.07251 335.1806 11.84169 335.6627 11.64625 336.1448 11.51233 336.6270 11.30917 337.1091 10.94493 337.5912 10.57895 338.0733 10.58946 338.5554 11.09506 339.0375 11.60176 339.5197 12.00923 340.0018 12.33739 340.4839 12.05983 340.9660 11.02715 341.4481 9.726822 341.9302 8.819809 342.4124 8.326538 342.8945 7.830246 343.3766 7.173737 343.8587 6.413498 344.3408 5.802628 344.8229 5.361801 345.3051 4.948181 345.7872 4.497604 346.2693 3.991074 346.7514 3.232727 347.2335 2.077042 347.7156 0.7974090 348.1978 0.1283260 348.6799 0.6990510 349.1620 0.9094390 349.6441 0.4702910 350.1262 0.3175050 350.6083 0.7175600 351.0905 0.6052700 351.5726 0.2489170 352.0547 0.1437680 352.5368 0.5428310 353.0189 0.8562160 353.5010 1.036942 353.9832 1.108078 354.4653 1.043793 354.9474 0.8361660 355.4295 0.6851960 355.9116 0.8391270 356.3937 1.133316 356.8759 1.316711 357.3580 1.059341 357.8401 0.8606720 358.3222 1.310608 358.8043 2.258240 359.2864 2.776566 359.7686 2.070374 360.2507 0.8794250 360.7328 0.1690980 361.2149 0.9263760 361.6970 1.553497 362.1791 2.038223 362.6613 2.434937 363.1434 2.870880 363.6255 3.506958 364.1076 4.091354 364.5897 4.405029 365.0718 4.209808 365.5540 4.471420 366.0361 5.955612 366.5182 7.785995 367.0003 8.911209 367.4824 8.455505 367.9645 8.068146 368.4467 8.020615 368.9288 8.320801 369.4109 9.011703 369.8930 10.33118 370.3751 11.86406 370.8572 13.33066 371.3394 14.53722 371.8215 16.00197 372.3036 17.96277 372.7857 20.20361 373.2678 21.96138 373.7499 23.09535 374.2321 24.01706 374.7142 24.79347 375.1963 25.25923 375.6784 26.41023 376.1605 28.57100 376.6426 30.99059 377.1248 32.44463 377.6069 32.86588 378.0890 32.82477 378.5711 32.35722 379.0532 31.54143 379.5353 31.09172 380.0175 31.10648 380.4996 30.97339 380.9817 29.81340 381.4638 27.80247 381.9459 26.41249 382.4280 26.09152 382.9102 26.36452 383.3923 26.38452 383.8744 26.17081 384.3565 25.92831 384.8386 25.85127 385.3207 25.82866 385.8029 25.68748 386.2850 25.43788 386.7671 24.91051 387.2492 23.64188 387.7313 21.94717 388.2134 20.56932 388.6956 19.79851 389.1777 19.54065 389.6598 20.15701 390.1419 21.55473 390.6240 22.26939 391.1061 20.79631 391.5883 18.44305 392.0704 16.56544 392.5525 15.62379 393.0346 15.10666 393.5167 15.01137 393.9988 15.17842 394.4810 15.15692 394.9631 14.52216 395.4452 13.86824 395.9273 13.47675 396.4094 13.39444 396.8915 13.52773 397.3737 14.04797 397.8558 14.71057 398.3379 15.21401 398.8200 15.42458 399.3021 15.57597 399.7842 15.58803 400.2664 15.46091 400.7485 15.75465 401.2306 16.72681 401.7127 17.85939 402.1948 18.82404 402.6769 19.53152 403.1591 20.24522 403.6412 20.91989 404.1233 21.63306 404.6054 22.72917 405.0875 24.46494 405.5696 25.77812 406.0518 25.89575 406.5339 24.76335 407.0160 24.82428 407.4981 26.35921 407.9802 28.46742 408.4623 30.08379 408.9445 31.21658 409.4266 32.26862 409.9087 33.36612 410.3908 34.42947 410.8729 35.31866 411.3550 36.02702 411.8372 36.44899 412.3193 36.43307 412.8014 36.08710 413.2835 35.60951 413.7656 34.97559 414.2477 34.30969 414.7299 33.74951 415.2120 33.31050 415.6941 32.96606 416.1762 32.90965 416.6583 32.66460 417.1404 31.74306 417.6226 30.26863 418.1047 28.83797 418.5868 27.44225 419.0689 26.38583 419.5510 25.92949 420.0331 26.49596 420.5153 27.14850 420.9974 27.63103 421.4795 27.93199 421.9616 28.00903 422.4437 27.27940 422.9258 26.85823 423.4080 27.38008 423.8901 29.28624 424.3722 30.70390 424.8543 31.09686 425.3364 31.13167 425.8185 31.44969 426.3007 32.19170 426.7828 33.02487 427.2649 33.91422 427.7470 34.85446 428.2291 35.91592 428.7112 37.33214 429.1934 38.44229 429.6755 38.74812 430.1576 37.99426 430.6397 37.77809 431.1218 38.30524 431.6039 39.11111 432.0861 39.46236 432.5682 39.33191 433.0503 39.11693 433.5324 38.95435 434.0145 38.81421 434.4966 38.55528 434.9788 38.17438 435.4609 37.82852 435.9430 37.73891 436.4251 37.79144 436.9072 37.68811 437.3893 37.40146 437.8715 36.88156 438.3536 35.83366 438.8357 34.46977 439.3178 33.38129 439.7999 33.02542 440.2820 32.98221 440.7642 32.79057 441.2463 32.42030 441.7284 32.38907 442.2105 33.49567 442.6926 34.83438 443.1747 35.52513 443.6569 34.87724 444.1390 34.09120 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