#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:12 +0300 (Thu, 26 Apr 2018) $ #$Revision: 634 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000168.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_1000168 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 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 R140275.rod _rod_data_source.block 3500000 _rod_database.code 1000168 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 100.2380 0.0000000E+00 100.7201 0.9225080 101.2023 1.198997 101.6844 0.5945820 102.1665 0.5486150 102.6486 1.717331 103.1307 2.568741 103.6128 2.462654 104.0950 1.829895 104.5771 1.351410 105.0592 1.663162 105.5413 2.570465 106.0234 4.061005 106.5055 6.181175 106.9877 9.382103 107.4698 13.47661 107.9519 16.84297 108.4340 18.22874 108.9161 17.93434 109.3982 16.35021 109.8804 14.09320 110.3625 11.56400 110.8446 8.622208 111.3267 6.303757 111.8088 5.187035 112.2909 4.292839 112.7731 3.058289 113.2552 1.460159 113.7373 9.2896000E-02 114.2194 1.006386 114.7015 1.064651 115.1836 0.7302860 115.6658 0.3867870 116.1479 1.714325 116.6300 2.671677 117.1121 3.064430 117.5942 3.102180 118.0763 3.261536 118.5584 3.518486 119.0406 3.873909 119.5227 4.325279 120.0048 4.873222 120.4869 5.515656 120.9690 6.223595 121.4511 7.073196 121.9333 8.106361 122.4154 9.263596 122.8975 10.70004 123.3796 12.74518 123.8617 15.50864 124.3438 17.98458 124.8260 19.84012 125.3081 21.08356 125.7902 21.55578 126.2723 21.08279 126.7544 19.94196 127.2365 18.60780 127.7187 16.45238 128.2008 15.25732 128.6829 15.79968 129.1650 17.38993 129.6471 19.16055 130.1292 20.62561 130.6114 21.81357 131.0935 22.94561 131.5756 23.63959 132.0577 24.56639 132.5398 26.05846 133.0219 28.33939 133.5041 30.99493 133.9862 33.03975 134.4683 34.76814 134.9504 36.72123 135.4325 38.45043 135.9146 40.59911 136.3968 43.69923 136.8789 47.70654 137.3610 52.08427 137.8431 56.43674 138.3252 61.00192 138.8073 63.79529 139.2895 64.16602 139.7716 62.92933 140.2537 60.90569 140.7358 58.22152 141.2179 54.96909 141.7000 50.83688 142.1821 45.89158 142.6643 41.63017 143.1464 38.74164 143.6285 37.05215 144.1106 35.99313 144.5927 35.84473 145.0748 35.87032 145.5570 35.37635 146.0391 34.35791 146.5212 33.23876 147.0033 32.40845 147.4854 31.90502 147.9675 31.30410 148.4497 30.39430 148.9318 29.43622 149.4139 28.49186 149.8960 27.59457 150.3781 26.86134 150.8602 26.42812 151.3424 26.16327 151.8245 26.56554 152.3066 27.89371 152.7887 29.63033 153.2708 31.57740 153.7529 33.61904 154.2351 35.49331 154.7172 36.54561 155.1993 36.82770 155.6814 36.00648 156.1635 33.70792 156.6456 30.43016 157.1278 26.64516 157.6099 22.55394 158.0920 18.44012 158.5741 14.63782 159.0562 10.73470 159.5383 7.515312 160.0205 5.442574 160.5026 4.236961 160.9847 3.244514 161.4668 2.082405 161.9489 0.8742600 162.4310 0.1338350 162.9131 0.1060490 163.3953 0.2801250 163.8774 0.5607760 164.3595 0.9090960 164.8416 0.8516880 165.3237 0.2950710 165.8058 1.957153 166.2880 2.808170 166.7701 2.242184 167.2522 1.181335 167.7343 0.6986660 168.2164 0.9164430 168.6985 1.136639 169.1807 0.9457280 169.6628 0.5135040 170.1449 8.9039998E-03 170.6270 0.5596350 171.1091 1.112667 171.5912 1.430622 172.0734 1.347019 172.5555 1.371864 173.0376 1.690498 173.5197 2.277466 174.0018 2.999653 174.4839 3.759125 174.9661 4.581482 175.4482 5.686066 175.9303 7.416607 176.4124 9.064434 176.8945 10.41284 177.3766 11.54775 177.8588 12.61813 178.3409 13.73520 178.8230 14.90208 179.3051 16.04034 179.7872 17.51975 180.2693 18.61761 180.7515 19.00515 181.2336 18.79308 181.7157 18.27981 182.1978 17.69763 182.6799 17.03792 183.1620 16.38925 183.6441 15.84157 184.1263 15.22575 184.6084 14.49052 185.0905 13.62054 185.5726 12.56775 186.0547 11.22794 186.5368 9.535606 187.0190 8.284523 187.5011 7.633476 187.9832 7.294308 188.4653 7.136711 188.9474 7.134342 189.4296 7.158791 189.9117 7.032112 190.3938 6.771698 190.8759 6.771347 191.3580 7.073505 191.8401 7.656944 192.3223 8.594467 192.8044 9.956303 193.2865 11.35844 193.7686 12.36251 194.2507 13.08791 194.7328 13.87505 195.2150 14.76507 195.6971 15.80445 196.1792 17.26173 196.6613 19.55975 197.1434 21.39695 197.6255 21.52746 198.1077 20.44261 198.5898 19.33639 199.0719 18.98835 199.5540 19.19847 200.0361 18.96407 200.5182 17.77335 201.0004 16.80459 201.4825 16.87651 201.9646 17.66627 202.4467 18.35849 202.9288 18.21115 203.4109 17.31030 203.8930 17.00455 204.3752 17.78307 204.8573 18.66762 205.3394 19.18617 205.8215 19.49588 206.3036 20.03891 206.7857 21.26379 207.2679 23.22283 207.7500 24.84120 208.2321 25.46064 208.7142 26.32938 209.1963 27.88063 209.6784 30.03780 210.1606 32.51548 210.6427 35.12747 211.1248 37.91537 211.6069 40.31578 212.0890 41.95486 212.5711 43.58792 213.0533 45.53027 213.5354 47.74871 214.0175 50.09401 214.4996 52.49532 214.9817 55.06992 215.4638 56.76911 215.9460 57.49100 216.4281 57.66223 216.9102 57.32592 217.3923 56.57989 217.8744 55.66124 218.3565 54.79111 218.8387 53.98358 219.3208 53.07958 219.8029 52.09764 220.2850 51.00384 220.7671 49.56487 221.2492 47.88255 221.7314 46.57815 222.2135 46.27335 222.6956 47.05170 223.1777 47.52100 223.6598 47.38932 224.1419 47.11044 224.6240 47.10809 225.1062 47.42108 225.5883 47.74283 226.0704 47.79678 226.5525 47.60344 227.0346 47.44404 227.5167 47.50976 227.9989 47.53479 228.4810 47.33332 228.9631 46.89463 229.4452 46.04276 229.9273 44.41474 230.4094 42.26057 230.8916 40.27428 231.3737 38.83635 231.8558 37.47120 232.3379 35.51540 232.8200 32.86699 233.3021 30.35037 233.7843 28.62040 234.2664 27.33220 234.7485 25.98847 235.2306 24.38891 235.7127 22.74625 236.1948 21.32494 236.6770 20.12664 237.1591 19.11473 237.6412 18.41375 238.1233 17.84090 238.6054 17.18105 239.0875 16.32134 239.5697 15.41431 240.0518 14.72751 240.5339 14.32156 241.0160 13.93454 241.4981 13.39264 241.9802 12.84787 242.4624 12.49914 242.9445 12.46522 243.4266 12.49662 243.9087 12.09563 244.3908 11.03578 244.8729 10.16605 245.3550 9.901955 245.8372 9.819939 246.3193 9.588356 246.8014 9.096153 247.2835 8.402287 247.7656 7.554119 248.2477 6.432934 248.7299 5.452103 249.2120 4.670349 249.6941 4.045040 250.1762 3.646221 250.6583 3.478546 251.1404 3.303692 251.6226 2.629711 252.1047 1.028233 252.5868 7.2757997E-02 253.0689 0.2470930 253.5510 0.1578330 254.0331 0.2993620 254.5153 0.7837980 254.9974 1.348370 255.4795 1.562466 255.9616 1.170959 256.4437 0.9757160 256.9258 1.146568 257.4080 1.368958 257.8901 1.427971 258.3722 1.290379 258.8543 1.079906 259.3364 0.9680520 259.8185 1.019897 260.3007 1.005432 260.7828 1.155254 261.2649 1.085381 261.7470 0.4320490 262.2291 0.7687110 262.7112 2.100616 263.1934 3.091110 263.6755 3.640594 264.1576 4.185825 264.6397 4.665134 265.1218 5.188789 265.6039 5.842270 266.0861 6.608864 266.5682 7.375240 267.0503 7.989563 267.5324 8.353653 268.0145 9.254211 268.4966 11.01445 268.9788 12.89674 269.4609 14.57495 269.9430 16.04500 270.4251 17.46839 270.9072 19.01566 271.3893 20.69639 271.8715 21.86628 272.3536 22.02465 272.8357 22.27567 273.3178 23.05357 273.7999 24.30860 274.2820 25.84209 274.7642 27.55835 275.2463 29.43544 275.7284 31.15955 276.2105 32.50634 276.6926 33.98178 277.1747 35.78907 277.6568 37.86206 278.1389 40.02323 278.6211 42.17068 279.1032 44.34019 279.5853 46.72977 280.0674 49.43311 280.5495 52.20240 281.0316 55.21806 281.5138 58.23348 281.9959 60.80471 282.4780 62.72800 282.9601 64.14027 283.4422 65.31528 283.9243 66.32102 284.4065 67.03897 284.8886 67.37538 285.3707 67.42653 285.8528 67.21917 286.3349 66.71486 286.8170 66.24384 287.2992 66.42106 287.7813 67.39227 288.2634 68.43057 288.7455 69.35956 289.2276 70.32226 289.7097 71.54475 290.1919 73.08835 290.6740 74.67524 291.1561 75.86222 291.6382 76.52359 292.1203 77.82442 292.6024 80.36650 293.0846 83.33346 293.5667 85.98339 294.0488 88.24197 294.5309 90.27476 295.0130 92.17271 295.4951 93.94353 295.9773 96.01577 296.4594 98.86807 296.9415 101.6645 297.4236 103.7854 297.9057 105.2107 298.3878 106.2457 298.8700 107.1737 299.3521 107.8452 299.8342 107.7392 300.3163 106.2849 300.7984 104.5897 301.2805 103.3259 301.7627 102.3736 302.2448 101.1553 302.7269 99.26175 303.2090 96.96455 303.6911 95.11552 304.1732 94.15206 304.6554 92.91019 305.1375 90.56206 305.6196 87.51601 306.1017 84.81041 306.5838 82.83200 307.0659 81.38982 307.5481 80.25433 308.0302 79.55620 308.5123 78.61961 308.9944 76.76091 309.4765 74.61774 309.9586 73.45943 310.4408 73.73826 310.9229 74.47622 311.4050 74.39399 311.8871 73.48697 312.3692 72.46317 312.8513 71.26746 313.3335 70.12207 313.8156 69.51290 314.2977 69.52862 314.7798 69.26430 315.2619 67.85987 315.7440 65.33038 316.2262 62.48399 316.7083 58.96130 317.1904 55.44151 317.6725 52.49779 318.1546 50.12236 318.6367 47.98531 319.1188 45.90682 319.6010 43.94711 320.0831 42.14203 320.5652 40.45506 321.0473 38.91287 321.5294 37.54233 322.0115 36.33443 322.4937 35.24403 322.9758 34.27857 323.4579 33.39798 323.9400 32.55177 324.4221 31.85372 324.9042 30.95220 325.3864 29.50621 325.8685 27.80103 326.3506 26.42177 326.8327 25.60410 327.3148 24.95952 327.7969 23.82632 328.2791 22.11809 328.7612 20.54413 329.2433 19.33824 329.7254 18.29041 330.2075 17.07806 330.6896 15.64528 331.1718 14.37051 331.6539 13.69769 332.1360 13.68768 332.6181 13.48722 333.1002 12.94202 333.5823 12.29790 334.0645 11.67241 334.5466 11.09407 335.0287 10.64621 335.5108 10.44524 335.9929 10.42659 336.4750 10.14105 336.9572 9.374947 337.4393 8.595894 337.9214 7.857533 338.4035 7.248142 338.8856 7.037998 339.3677 7.409042 339.8499 8.120144 340.3320 8.521965 340.8141 8.564606 341.2962 8.451553 341.7783 8.252831 342.2604 7.907215 342.7426 7.306873 343.2247 6.423759 343.7068 5.354919 344.1889 4.156109 344.6710 2.571835 345.1531 1.765270 345.6353 2.505173 346.1174 3.504581 346.5995 3.751495 347.0816 3.194351 347.5637 2.407166 348.0458 1.898785 348.5280 1.686813 349.0101 1.342598 349.4922 0.5859600 349.9743 1.1750000E-03 350.4564 1.2383000E-02 350.9385 0.4008790 351.4207 0.6129910 351.9028 0.3101310 352.3849 0.3741650 352.8670 0.8730200 353.3491 1.143742 353.8312 1.283524 354.3134 1.220467 354.7955 1.064110 355.2776 0.9149210 355.7597 0.8117450 356.2418 0.7799870 356.7239 0.8712010 357.2061 1.180313 357.6882 1.422745 358.1703 1.680710 358.6524 1.820545 359.1345 1.717052 359.6166 1.382637 360.0987 0.9431300 360.5808 0.5152700 361.0630 0.1028940 361.5451 0.3377610 362.0272 0.9363400 362.5093 1.427635 362.9914 1.608917 363.4735 1.626289 363.9557 1.785873 364.4378 2.294910 364.9199 3.024632 365.4020 3.413948 365.8841 3.124554 366.3662 2.944412 366.8484 2.771896 367.3305 2.840572 367.8126 3.565899 368.2947 5.022388 368.7768 6.607582 369.2589 7.274261 369.7411 6.489361 370.2232 6.240505 370.7053 6.961082 371.1874 7.887306 371.6695 8.673557 372.1516 9.289627 372.6338 9.869724 373.1159 10.51418 373.5980 11.22134 374.0801 11.99282 374.5622 12.92320 375.0443 13.80122 375.5265 14.53179 376.0086 15.17502 376.4907 15.83597 376.9728 16.59115 377.4549 17.34181 377.9370 17.84488 378.4192 18.01023 378.9013 18.18162 379.3834 18.58427 379.8655 18.95182 380.3476 19.00530 380.8297 18.69491 381.3119 18.35861 381.7940 18.44085 382.2761 18.92793 382.7582 19.07121 383.2403 18.48398 383.7224 17.87563 384.2046 17.78032 384.6867 18.08197 385.1688 18.34298 385.6509 18.24474 386.1330 17.95741 386.6151 17.97062 387.0973 18.44501 387.5794 18.63317 388.0615 17.67319 388.5436 16.26997 389.0257 15.49192 389.5078 15.84101 389.9900 16.30127 390.4721 15.82047 390.9542 14.53603 391.4363 13.59577 391.9184 13.55978 392.4005 13.79709 392.8827 13.32730 393.3648 12.08622 393.8469 11.08274 394.3290 10.89566 394.8111 11.13276 395.2932 11.17639 395.7754 10.92761 396.2575 10.60075 396.7396 10.28673 397.2217 10.03166 397.7038 10.14633 398.1859 11.10769 398.6681 12.03765 399.1501 12.32087 399.6323 12.06969 400.1144 11.69132 400.5965 11.33814 401.0786 11.07059 401.5607 11.10813 402.0428 11.67974 402.5250 12.10412 403.0071 12.09314 403.4892 11.95162 403.9713 11.99237 404.4534 12.29590 404.9355 12.83842 405.4177 13.62426 405.8998 14.72117 406.3819 15.72706 406.8640 16.57475 407.3461 17.40051 407.8282 18.35227 408.3104 19.33882 408.7925 20.11167 409.2746 20.48975 409.7567 20.53106 410.2388 20.50402 410.7209 20.08696 411.2031 20.07981 411.6852 20.91475 412.1673 22.00645 412.6494 22.82503 413.1315 23.24351 413.6136 23.44488 414.0958 23.70899 414.5779 24.16084 415.0600 24.18942 415.5421 23.36825 416.0242 22.47224 416.5063 21.74053 416.9885 21.18987 417.4706 20.79336 417.9527 20.55982 418.4348 20.46814 418.9169 20.48217 419.3990 20.67535 419.8812 20.71503 420.3633 20.35366 420.8454 19.90505 421.3275 19.61941 421.8096 19.55288 422.2917 19.71163 422.7739 20.21017 423.2560 21.02519 423.7381 21.65222 424.2202 21.80578 424.7023 22.05418 425.1844 22.99004 425.6666 24.41321 426.1487 25.59653 426.6308 26.11351 427.1129 26.27197 427.5950 26.42767 428.0771 26.56998 428.5593 26.96795 429.0414 27.90469 429.5235 29.12741 430.0056 30.07882 430.4877 30.74999 430.9698 31.16946 431.4520 31.19200 431.9341 30.99530 432.4162 31.00079 432.8983 31.34797 433.3804 31.65085 433.8625 31.40202 434.3447 30.50425 434.8268 29.81669 435.3089 29.55336 435.7910 29.34904 436.2731 29.04604 436.7552 28.60582 437.2374 27.93147 437.7195 26.93310 438.2016 25.72710 438.6837 24.77661 439.1658 24.44182 439.6479 23.89947 440.1301 22.86358 440.6122 21.73050 441.0943 20.85839 441.5764 20.33002 442.0585 20.03184 442.5406 19.86716 443.0227 19.86572 443.5049 19.77874 443.9870 19.68682 444.4691 19.42237 444.9512 18.90098 445.4333 18.17837 445.9154 17.29394 446.3976 16.25022 446.8797 15.17886 447.3618 14.40121 447.8439 14.02687 448.3260 13.62154 448.8081 13.12399 449.2903 12.55247 449.7724 11.90880 450.2545 11.19576 450.7366 10.42247 451.2187 9.574226 451.7008 8.666798 452.1830 7.760212 452.6651 6.797497 453.1472 5.991726 453.6293 5.592453 454.1114 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