#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:43:14 +0300 (Thu, 26 Apr 2018) $ #$Revision: 528 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000080.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_1000080 loop_ _publ_author_name 'Pertlik, F.' _publ_section_title ; The crystal structure of cechite, Pb(Fe,Mn)(VO4)(OH) with Fe>Mn. A mineral of the descloizite group Locality: Vrancice, Bohemian pluton, Pribram, Czechoslovakia (Czech Republic) ; _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_page_first 34 _journal_page_last 40 _journal_volume 1989 _journal_year 1989 _chemical_compound_source R070363 _chemical_formula_sum 'Fe0.8 H Mn0.2 O5 Pb V' _chemical_name_mineral Cechite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2n' _symmetry_space_group_name_H-M 'P n a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.605 _cell_length_b 9.435 _cell_length_c 6.099 _cell_volume 437.623 _exptl_crystal_density_diffrn 5.992 _cod_original_formula_sum 'Pb (Fe.8 Mn.2) V O5 H' _cod_database_code 9009356 _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 R070363.rod _rod_data_source.block 3500000 _rod_database.code 1000080 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 9009356 COD http://www.crystallography.net/cod/9009356.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 93.84985 0.0000000E+00 94.33197 0.8173220 94.81409 2.504242 95.29620 3.061310 95.77832 2.648956 96.26044 1.337463 96.74255 0.2416990 97.22467 0.3232120 97.70679 2.172180 98.18890 4.332611 98.67102 6.251923 99.15314 7.407501 99.63525 7.521088 100.1174 6.493408 100.5995 4.682495 101.0816 3.464844 101.5637 3.499451 102.0458 4.565643 102.5280 5.276855 103.0101 5.977142 103.4922 6.744446 103.9743 7.464874 104.4564 8.561981 104.9385 9.578979 105.4207 10.53500 105.9028 11.25702 106.3849 12.13382 106.8670 12.95746 107.3491 12.65689 107.8312 9.997437 108.3134 5.165527 108.7955 1.436493 109.2776 0.3214720 109.7597 0.7102970 110.2418 0.6532590 110.7239 0.1903690 111.2061 0.5223390 111.6882 0.8161930 112.1703 0.8551940 112.6524 1.278564 113.1345 2.771606 113.6166 5.108246 114.0988 6.783539 114.5809 7.201538 115.0630 7.069595 115.5451 7.028442 116.0272 7.206985 116.5093 7.442505 116.9915 7.626602 117.4736 7.859787 117.9557 7.747482 118.4378 6.742905 118.9199 5.913712 119.4020 5.874924 119.8842 6.801788 120.3663 8.337036 120.8484 9.492157 121.3305 10.02992 121.8126 10.39893 122.2947 10.81284 122.7769 11.02100 123.2590 10.60934 123.7411 9.287521 124.2232 7.269852 124.7053 5.576889 125.1874 3.989166 125.6696 2.844177 126.1517 2.537384 126.6338 2.883133 127.1159 3.096222 127.5980 2.528870 128.0801 1.519363 128.5623 1.233841 129.0444 2.380554 129.5265 3.786469 130.0086 4.282593 130.4907 3.763870 130.9728 2.921936 131.4550 1.877792 131.9371 0.8305820 132.4192 0.1009520 132.9013 4.0359002E-02 133.3834 0.2045750 133.8655 0.1919100 134.3477 0.3511960 134.8298 0.7524870 135.3119 0.7022250 135.7940 0.3310240 136.2761 0.1454320 136.7582 0.5970310 137.2404 1.036331 137.7225 1.479767 138.2046 2.171494 138.6867 2.663345 139.1688 2.701782 139.6509 2.358368 140.1331 1.903824 140.6152 1.622757 141.0973 1.643555 141.5794 1.468445 142.0615 0.9223940 142.5436 0.3394930 143.0258 0.1290740 143.5079 0.4336550 143.9900 0.5676420 144.4721 0.5036930 144.9542 0.1277010 145.4363 0.2412260 145.9185 0.6233060 146.4006 0.9722900 146.8827 1.217514 147.3648 1.329361 147.8469 1.378586 148.3290 1.434509 148.8112 1.462173 149.2933 1.678528 149.7754 2.358459 150.2575 3.322495 150.7396 4.022903 151.2217 4.234680 151.7039 5.110962 152.1860 5.856705 152.6681 6.452347 153.1502 7.092316 153.6323 8.041672 154.1144 9.326004 154.5966 10.34183 155.0787 10.72466 155.5608 10.92177 156.0429 11.26630 156.5250 11.83189 157.0071 12.35242 157.4893 12.36267 157.9714 11.56548 158.4535 11.05846 158.9356 11.18645 159.4177 11.54126 159.8998 11.83368 160.3820 11.96230 160.8641 12.00891 161.3462 12.19099 161.8283 12.90144 162.3104 13.17358 162.7925 12.58893 163.2747 11.67366 163.7568 10.96404 164.2389 10.73561 164.7210 10.90182 165.2031 11.12030 165.6852 11.59216 166.1674 11.84990 166.6495 11.61317 167.1316 11.09341 167.6137 10.76514 168.0958 10.93692 168.5779 11.52814 169.0601 11.85271 169.5422 11.69142 170.0243 11.50435 170.5064 11.49820 170.9885 11.65083 171.4706 11.81134 171.9528 11.87608 172.4349 11.84540 172.9170 11.81087 173.3991 11.73715 173.8812 11.69388 174.3633 11.77573 174.8455 11.98558 175.3276 12.12401 175.8097 11.94336 176.2918 11.61652 176.7739 11.48112 177.2560 11.76892 177.7382 12.19165 178.2203 12.36845 178.7024 12.28813 179.1845 11.95612 179.6666 11.03654 180.1487 9.961670 180.6309 9.339279 181.1130 9.583405 181.5951 10.34184 182.0772 10.64178 182.5593 10.24223 183.0414 9.738480 183.5236 9.265106 184.0057 8.862473 184.4878 8.574066 184.9699 8.405579 185.4520 8.355164 185.9341 8.497955 186.4163 9.263153 186.8984 9.776566 187.3805 9.717255 187.8626 9.262497 188.3447 8.723511 188.8268 8.305649 189.3090 8.005661 189.7911 7.751785 190.2732 7.611511 190.7553 7.455338 191.2374 7.275330 191.7195 7.057404 192.2017 6.743637 192.6838 6.287186 193.1659 5.690582 193.6480 5.562988 194.1301 6.338974 194.6122 7.055740 195.0944 7.288788 195.5765 7.070068 196.0586 6.688477 196.5407 6.345413 197.0228 6.044312 197.5049 5.847519 197.9871 5.737335 198.4692 5.746445 198.9513 5.926041 199.4334 6.245224 199.9155 6.557251 200.3976 6.742188 200.8798 6.801636 201.3619 6.895218 201.8440 7.207764 202.3261 7.479523 202.8082 7.399017 203.2903 6.925354 203.7725 6.490128 204.2546 6.529999 204.7367 6.887955 205.2188 7.117249 205.7009 7.142349 206.1830 6.983780 206.6652 6.605133 207.1473 5.926239 207.6294 5.369705 208.1115 5.328278 208.5936 5.585251 209.0757 5.832703 209.5579 5.937073 210.0400 5.970139 210.5221 6.102219 211.0042 6.400345 211.4863 6.657074 211.9685 6.784843 212.4506 6.820404 212.9327 6.792221 213.4148 6.650635 213.8969 6.451691 214.3790 6.450035 214.8612 6.777832 215.3433 7.119171 215.8254 7.402702 216.3075 7.619858 216.7896 7.749710 217.2717 7.765648 217.7539 7.698166 218.2360 7.689316 218.7181 7.883484 219.2002 7.936325 219.6823 7.666664 220.1644 7.237396 220.6466 6.888496 221.1287 6.778915 221.6108 6.847755 222.0929 6.745872 222.5750 6.284576 223.0571 5.849640 223.5393 5.559990 224.0214 5.329559 224.5035 4.983337 224.9856 4.397888 225.4677 3.662560 225.9498 3.358322 226.4320 4.075333 226.9141 4.593094 227.3962 4.582054 227.8783 4.259949 228.3604 3.971298 228.8425 3.913528 229.3247 4.050690 229.8068 4.178932 230.2889 4.439117 230.7710 4.533424 231.2531 4.287491 231.7352 3.842400 232.2174 3.416351 232.6995 3.110909 233.1816 2.940735 233.6637 2.998466 234.1458 3.526665 234.6279 3.957741 235.1101 4.040825 235.5922 3.932671 236.0743 3.971672 236.5564 4.354965 237.0385 4.932327 237.5206 5.202713 238.0028 5.110207 238.4849 4.891129 238.9670 4.487907 239.4491 4.018822 239.9312 3.794212 240.4133 4.034760 240.8955 4.456551 241.3776 4.379791 241.8597 3.605347 242.3418 2.926643 242.8239 2.753632 243.3060 2.943710 243.7882 3.099464 244.2703 3.070084 244.7524 2.969383 245.2345 3.005882 245.7166 3.213821 246.1987 3.362183 246.6809 3.282875 247.1630 3.043854 247.6451 2.887466 248.1272 2.941124 248.6093 3.014771 249.0914 2.870087 249.5736 2.507027 250.0557 2.115845 250.5378 1.841934 251.0199 1.637985 251.5020 1.249168 251.9841 0.3824310 252.4663 0.3107760 252.9484 8.0269001E-02 253.4305 0.9550930 253.9126 1.768776 254.3947 1.595627 254.8768 0.6393360 255.3590 0.1594770 255.8411 0.7479860 256.3232 1.070930 256.8053 1.095779 257.2874 0.8639450 257.7695 0.5229720 258.2516 9.5992997E-02 258.7338 0.3883820 259.2159 0.7679210 259.6980 1.040558 260.1801 1.193268 260.6622 1.246613 261.1443 1.195084 261.6265 1.017448 262.1086 0.5954440 262.5907 3.0159000E-02 263.0728 0.1696400 263.5549 0.2833400 264.0370 0.6635210 264.5192 0.5964580 265.0013 0.2784420 265.4834 3.1792000E-02 265.9655 4.1625999E-02 266.4476 0.2454300 266.9297 0.4457400 267.4119 0.7741390 267.8940 0.8559950 268.3761 0.4566120 268.8582 0.1688540 269.3403 0.7402730 269.8224 1.139870 270.3046 1.355988 270.7867 1.326485 271.2688 0.8899460 271.7509 0.4856410 272.2330 0.2401350 272.7151 4.9690001E-02 273.1973 0.1940990 273.6794 0.5352550 274.1615 0.9275510 274.6436 1.281853 275.1257 1.602493 275.6078 1.866241 276.0900 1.899239 276.5721 1.981377 277.0542 2.450249 277.5363 3.373413 278.0184 4.383705 278.5005 4.798866 278.9827 4.191261 279.4648 3.947639 279.9469 4.356903 280.4290 4.930862 280.9111 5.316322 281.3932 5.468704 281.8754 5.619247 282.3575 6.093201 282.8396 7.036255 283.3217 7.881485 283.8038 8.766922 284.2859 9.468208 284.7681 9.720718 285.2502 9.601952 285.7323 9.484711 286.2144 9.795433 286.6965 10.66390 287.1786 11.21363 287.6608 11.08098 288.1429 11.00192 288.6250 11.38366 289.1071 12.09909 289.5892 12.72878 290.0714 12.91779 290.5535 12.65867 291.0356 12.49556 291.5177 12.61823 291.9998 12.64376 292.4819 12.33546 292.9641 11.85786 293.4462 11.53565 293.9283 11.59028 294.4104 11.95946 294.8925 12.20784 295.3746 12.29994 295.8568 12.29367 296.3389 12.19052 296.8210 11.99111 297.3031 11.68247 297.7852 11.25700 298.2673 10.74889 298.7495 10.25938 299.2316 9.690002 299.7137 9.261055 300.1958 8.979332 300.6779 8.839973 301.1600 8.901085 301.6422 9.165024 302.1243 9.472816 302.6064 9.520348 303.0885 9.015800 303.5706 8.771896 304.0527 9.006691 304.5349 9.332054 305.0170 9.406319 305.4991 9.198242 305.9812 8.974594 306.4633 9.076477 306.9454 9.628662 307.4276 10.07934 307.9097 10.54461 308.3918 10.83106 308.8739 10.68841 309.3560 10.21624 309.8381 9.785980 310.3203 9.703293 310.8024 9.997704 311.2845 10.53388 311.7666 11.52287 312.2487 12.49266 312.7308 13.31960 313.2130 13.99652 313.6951 14.51573 314.1772 14.88003 314.6593 15.12830 315.1414 15.43513 315.6235 15.80003 316.1057 16.23621 316.5878 16.92133 317.0699 17.62252 317.5520 17.92514 318.0341 17.62170 318.5162 17.04108 318.9984 17.07899 319.4805 18.38537 319.9626 19.59332 320.4447 20.69775 320.9268 21.60467 321.4089 22.22726 321.8911 22.58356 322.3732 22.83116 322.8553 23.18938 323.3374 23.76881 323.8195 24.16611 324.3016 24.11548 324.7838 24.09154 325.2659 24.48364 325.7480 25.25462 326.2301 26.03261 326.7122 26.45327 327.1943 26.46375 327.6765 26.43394 328.1586 26.31802 328.6407 26.24158 329.1228 26.34540 329.6049 26.51956 330.0870 26.50707 330.5692 26.11406 331.0513 25.43156 331.5334 25.11740 332.0155 25.94880 332.4976 26.27431 332.9797 25.34674 333.4619 23.93735 333.9440 23.18124 334.4261 23.58710 334.9082 24.50003 335.3904 24.29913 335.8725 21.83253 336.3546 20.03112 336.8367 19.33861 337.3188 19.07590 337.8009 18.75139 338.2831 18.23567 338.7652 17.64318 339.2473 17.15080 339.7294 16.85585 340.2115 16.33695 340.6936 15.18158 341.1758 14.19217 341.6579 13.91782 342.1400 14.21413 342.6221 14.49879 343.1042 14.23598 343.5863 13.42654 344.0685 12.94724 344.5506 13.17401 345.0327 13.37423 345.5148 13.38872 345.9969 13.27235 346.4790 13.13385 346.9612 13.03320 347.4433 12.94372 347.9254 12.76531 348.4075 12.40228 348.8896 12.11063 349.3717 11.97967 349.8539 11.89938 350.3360 11.78115 350.8181 11.59719 351.3002 11.35760 351.7823 11.04838 352.2644 10.60702 352.7466 10.30600 353.2287 10.34312 353.7108 10.37010 354.1929 10.22643 354.6750 9.900612 355.1571 9.449448 355.6393 8.888466 356.1214 8.216637 356.6035 7.611862 357.0856 7.007050 357.5677 6.573509 358.0498 6.503433 358.5320 6.616852 359.0141 6.614143 359.4962 6.333412 359.9783 5.836159 360.4604 5.228874 360.9425 4.341469 361.4247 3.747841 361.9068 3.958565 362.3889 4.335854 362.8710 4.242325 363.3531 3.492363 363.8352 2.579674 364.3174 2.112259 364.7995 2.136002 365.2816 2.129929 365.7637 1.998642 366.2458 1.815033 366.7279 1.590210 367.2101 1.341782 367.6922 1.148659 368.1743 1.113182 368.6564 1.191048 369.1385 1.165398 369.6206 0.9678420 370.1028 0.7836460 370.5849 0.7833630 371.0670 0.8659060 371.5491 0.8401720 372.0312 0.5699390 372.5133 0.2283940 372.9955 9.2093997E-02 373.4776 0.1884460 373.9597 0.2223130 374.4418 2.5443999E-02 374.9239 0.3453980 375.4060 0.4224780 375.8882 0.1541210 376.3703 2.6077000E-02 376.8524 0.3880230 377.3345 1.196068 377.8166 1.503494 378.2987 0.9237210 378.7809 0.1301880 379.2630 0.1158070 379.7451 0.1155550 380.2272 0.3811570 380.7093 0.6112060 381.1914 0.7614900 381.6736 0.7408680 382.1557 0.5372470 382.6378 0.2921450 383.1199 6.5567002E-02 383.6020 0.1154790 384.0841 0.1755680 384.5663 4.2946000E-02 385.0484 0.1405330 385.5305 0.3654400 386.0126 0.5870360 386.4947 0.6491320 386.9768 0.4647220 387.4590 0.1334000 387.9411 0.1569210 388.4232 0.4346540 388.9053 0.6090090 389.3874 0.5918200 389.8695 0.4950790 390.3517 0.4004900 390.8338 0.3317570 391.3159 0.3983080 391.7980 0.7723920 392.2801 1.523727 392.7622 1.871811 393.2444 1.367645 393.7265 0.9229890 394.2086 1.014595 394.6907 1.552124 395.1728 2.285248 395.6549 3.102341 396.1371 3.911964 396.6192 4.319519 397.1013 3.753036 397.5834 3.489204 398.0655 3.787773 398.5476 4.346184 399.0298 4.942139 399.5119 5.484642 399.9940 5.870949 400.4761 5.892494 400.9582 5.280472 401.4403 5.272057 401.9225 6.391769 402.4046 7.536507 402.8867 8.180611 403.3688 8.418800 403.8509 8.616989 404.3330 9.028870 404.8152 9.608994 405.2973 10.09378 405.7794 10.39654 406.2615 10.73247 406.7436 11.19047 407.2257 11.67368 407.7079 12.08507 408.1900 12.39612 408.6721 12.63972 409.1542 12.78738 409.6363 12.76538 410.1184 13.07452 410.6006 14.09990 411.0827 15.17911 411.5648 15.95344 412.0469 16.48141 412.5290 17.02277 413.0111 17.77390 413.4933 18.66171 413.9754 19.43435 414.4575 20.03960 414.9396 20.66826 415.4217 21.42142 415.9038 22.24548 416.3860 23.07156 416.8681 23.86864 417.3502 24.72192 417.8323 25.78563 418.3144 27.02232 418.7965 28.08096 419.2787 28.87450 419.7608 29.45706 420.2429 29.79240 420.7250 29.90746 421.2071 30.19820 421.6892 30.90520 422.1714 31.81671 422.6535 32.72858 423.1356 33.62579 423.6177 34.30113 424.0998 34.54201 424.5819 34.44685 425.0641 34.49167 425.5462 34.58415 426.0283 34.92227 426.5104 35.78784 426.9925 36.93288 427.4746 37.90924 427.9568 38.57954 428.4389 38.96652 428.9210 39.07512 429.4031 38.75316 429.8852 38.57264 430.3673 38.61113 430.8495 38.72686 431.3316 38.82619 431.8137 38.91151 432.2958 39.03931 432.7779 39.25578 433.2600 39.55490 433.7422 39.81024 434.2243 40.04271 434.7064 40.16359 435.1885 40.22728 435.6706 40.13794 436.1527 39.71283 436.6349 38.92937 437.1170 38.08315 437.5991 37.64703 438.0812 37.76778 438.5633 37.74799 439.0454 37.64671 439.5276 37.36142 440.0097 36.76440 440.4918 35.95714 440.9739 35.15227 441.4560 34.49917 441.9381 33.90904 442.4203 33.07008 442.9024 31.81146 443.3845 30.75421 443.8666 30.36739 444.3487 30.09924 444.8308 29.47008 445.3130 28.40446 445.7951 27.27871 446.2772 26.41283 446.7593 25.74029 447.2414 24.98418 447.7235 24.09004 448.2057 23.17394 448.6878 22.28823 449.1699 21.43413 449.6520 20.65950 450.1341 19.98115 450.6162 19.38093 451.0984 18.92200 451.5805 18.57848 452.0626 18.06370 452.5447 17.16277 453.0268 16.11132 453.5089 15.36732 453.9911 14.96377 454.4732 14.59386 454.9553 14.16383 455.4374 13.77390 455.9195 13.53774 456.4016 13.43474 456.8838 13.31789 457.3659 13.07871 457.8480 12.71529 458.3301 12.22626 458.8122 11.39280 459.2943 10.72569 459.7765 10.48731 460.2586 10.45207 460.7407 10.29713 461.2228 9.901321 461.7049 9.375488 462.1870 8.888863 462.6692 8.414017 463.1513 8.101936 463.6334 8.146919 464.1155 8.196739 464.5976 8.050110 465.0797 7.746506 465.5619 7.459221 466.0440 7.306030 466.5261 7.201828 467.0082 6.861176 467.4903 6.127235 467.9724 5.577354 468.4546 5.458755 468.9367 5.509209 469.4188 5.626091 469.9009 5.778053 470.3830 5.814240 470.8651 5.525612 471.3473 5.007263 471.8294 4.622826 472.3115 4.435249 472.7936 4.251656 473.2757 3.827301 473.7578 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