#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:51 +0300 (Thu, 26 Apr 2018) $ #$Revision: 570 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000114.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_1000114 loop_ _publ_author_name 'Kolitsch, U.' 'Giester, G.' _publ_section_title ; The crystal structure of namibite, Cu(BiO)2VO4(OH), and a revision of its symmetry ; _journal_name_full 'American Mineralogist' _journal_page_first 1298 _journal_page_last 1301 _journal_volume 85 _journal_year 2000 _chemical_compound_source R100182 _chemical_formula_sum 'Bi2 Cu H O7 V' _chemical_name_mineral Namibite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.10 _cell_angle_beta 108.73 _cell_angle_gamma 107.47 _cell_length_a 6.210 _cell_length_b 7.398 _cell_length_c 7.471 _cell_volume 308.224 _exptl_crystal_density_diffrn 6.955 _cod_original_formula_sum 'Bi2 Cu V O7 H' _cod_database_code 9002427 _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 R100182.rod _rod_data_source.block 3500000 _rod_database.code 1000114 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 9002427 COD http://www.crystallography.net/cod/9002427.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 98.80145 0.0000000E+00 99.28356 0.8490910 99.76568 1.396896 100.2478 1.299957 100.7299 8.4197998E-02 101.2120 0.2895970 101.6941 0.8760830 102.1763 2.117325 102.6584 3.361496 103.1405 4.609039 103.6226 5.758118 104.1047 6.660645 104.5868 7.512558 105.0690 9.568512 105.5511 13.99811 106.0332 18.20564 106.5153 20.72714 106.9974 21.71201 107.4795 22.65646 107.9617 24.81862 108.4438 27.81386 108.9259 30.24811 109.4080 31.70016 109.8901 32.63632 110.3722 33.77928 110.8544 35.58878 111.3365 36.45209 111.8186 35.04991 112.3007 32.06877 112.7828 28.60208 113.2649 25.09010 113.7471 21.53830 114.2292 18.27831 114.7113 15.29579 115.1934 12.66400 115.6755 10.33426 116.1576 8.336487 116.6397 6.804214 117.1219 5.906189 117.6040 5.837189 118.0861 5.832825 118.5682 6.121124 119.0503 6.292465 119.5324 5.971771 120.0146 5.137848 120.4967 4.165436 120.9788 3.696548 121.4609 4.228958 121.9430 4.574631 122.4251 4.398727 122.9073 4.140244 123.3894 4.309036 123.8715 5.103226 124.3536 6.407135 124.8357 8.015610 125.3178 10.02095 125.8000 12.03413 126.2821 13.95235 126.7642 15.77144 127.2463 17.44438 127.7284 18.91364 128.2105 20.25157 128.6927 21.61444 129.1748 22.90445 129.6569 24.41481 130.1390 26.65669 130.6211 29.03830 131.1032 31.68036 131.5854 35.21614 132.0675 39.17537 132.5496 42.27374 133.0317 44.67867 133.5138 46.90739 133.9959 49.36328 134.4781 51.80821 134.9602 53.88181 135.4423 55.51804 135.9244 56.71232 136.4065 57.51614 136.8886 58.62344 137.3708 60.17922 137.8529 60.71306 138.3350 58.76740 138.8171 57.30981 139.2992 57.53108 139.7813 58.93312 140.2635 60.18301 140.7456 60.05096 141.2277 58.28479 141.7098 57.34830 142.1919 57.41730 142.6740 57.94116 143.1561 58.79590 143.6383 59.89478 144.1204 61.05063 144.6025 62.07558 145.0846 62.95006 145.5667 63.68976 146.0488 64.38187 146.5310 64.89184 147.0131 64.97128 147.4952 64.54127 147.9773 64.09680 148.4594 64.45673 148.9415 65.46294 149.4237 66.07932 149.9058 65.71082 150.3879 64.61527 150.8700 63.64059 151.3521 63.26547 151.8342 62.52120 152.3164 60.87080 152.7985 58.31650 153.2806 54.84427 153.7627 50.11757 154.2448 44.09399 154.7269 38.18956 155.2091 32.23597 155.6912 26.78029 156.1733 22.16972 156.6554 18.60348 157.1375 15.66309 157.6196 13.11655 158.1018 11.02585 158.5839 9.184662 159.0660 7.822945 159.5481 6.513672 160.0302 4.732933 160.5123 2.442513 160.9945 0.2390140 161.4766 0.7450640 161.9587 0.8063130 162.4408 1.647766 162.9229 1.468437 163.4050 0.7698140 163.8871 0.1774520 164.3693 1.261650 164.8514 2.213821 165.3335 2.329018 165.8156 0.6257320 166.2977 0.5415650 166.7798 0.6934970 167.2620 0.2060240 167.7441 0.4513400 168.2262 1.145210 168.7083 1.729713 169.1904 1.691917 169.6725 0.6075820 170.1547 0.2204130 170.6368 7.3546998E-02 171.1189 0.7973860 171.6010 1.583267 172.0831 2.021370 172.5652 2.029068 173.0474 1.529961 173.5295 0.1900100 174.0116 1.020729 174.4937 1.173599 174.9758 0.2716450 175.4579 0.4749370 175.9401 0.4189830 176.4222 1.4732000E-02 176.9043 0.3739780 177.3864 0.5503540 177.8685 0.7043000 178.3506 1.095871 178.8328 1.843391 179.3149 2.410576 179.7970 2.533051 180.2791 2.435616 180.7612 2.252205 181.2433 2.006332 181.7255 1.793961 182.2076 1.860901 182.6897 2.469414 183.1718 2.854294 183.6539 2.701637 184.1360 2.347542 184.6181 2.167084 185.1003 2.352791 185.5824 2.758751 186.0645 2.862007 186.5466 2.307854 187.0287 1.863007 187.5108 1.640854 187.9930 1.580185 188.4751 1.572784 188.9572 1.550499 189.4393 1.564888 189.9214 1.931984 190.4035 3.307526 190.8857 4.313354 191.3678 4.571274 191.8499 4.290131 192.3320 3.756958 192.8141 3.072502 193.2962 2.333046 193.7784 2.349525 194.2605 3.892365 194.7426 5.188637 195.2247 5.459290 195.7068 4.962540 196.1889 4.460030 196.6711 4.391907 197.1532 4.692360 197.6353 4.978622 198.1174 5.472214 198.5995 5.758247 199.0816 5.361137 199.5638 4.407387 200.0459 3.764381 200.5280 4.035889 201.0101 4.996475 201.4922 5.845055 201.9743 6.697571 202.4565 7.292282 202.9386 7.278778 203.4207 6.641891 203.9028 6.018997 204.3849 5.645653 204.8670 5.539520 205.3492 5.810081 205.8313 6.734932 206.3134 7.721207 206.7955 7.867569 207.2776 6.943565 207.7597 6.255959 208.2419 6.710007 208.7240 7.589050 209.2061 8.254311 209.6882 8.504333 210.1703 8.449615 210.6524 8.180161 211.1346 7.493668 211.6167 7.138916 212.0988 7.722702 212.5809 8.558220 213.0630 8.935143 213.5451 8.525780 214.0273 7.699181 214.5094 7.299294 214.9915 7.568687 215.4736 7.852287 215.9557 8.000420 216.4378 8.092384 216.9200 8.227623 217.4021 8.452690 217.8842 8.696915 218.3663 8.764832 218.8484 8.575706 219.3305 8.210052 219.8127 7.676445 220.2948 7.122498 220.7769 6.742104 221.2590 6.619652 221.7411 6.663368 222.2232 6.669388 222.7054 6.601181 223.1875 6.622772 223.6696 7.069984 224.1517 7.610832 224.6338 7.726799 225.1159 7.180527 225.5980 6.301483 226.0802 6.104828 226.5623 7.953369 227.0444 8.917259 227.5265 8.089119 228.0086 6.519432 228.4907 5.546196 228.9729 5.724785 229.4550 6.621384 229.9371 7.150948 230.4192 7.374451 230.9013 7.278664 231.3834 6.484291 231.8656 5.481239 232.3477 5.122719 232.8298 5.807419 233.3119 6.874474 233.7940 6.831978 234.2761 5.248253 234.7583 3.967468 235.2404 3.575745 235.7225 3.752052 236.2046 3.907570 236.6867 3.803131 237.1688 3.728081 237.6510 4.411140 238.1331 6.057106 238.6152 7.158234 239.0973 6.792557 239.5794 5.548210 240.0615 4.713638 240.5437 4.719116 241.0258 5.055878 241.5079 5.026619 241.9900 4.635918 242.4721 4.302422 242.9542 4.189796 243.4364 4.270386 243.9185 4.514442 244.4006 5.016083 244.8827 5.477684 245.3648 5.640762 245.8469 5.531776 246.3290 5.201836 246.8112 4.506889 247.2933 3.595940 247.7754 2.916283 248.2575 2.569611 248.7396 2.417809 249.2217 2.493980 249.7039 2.694893 250.1860 2.649559 250.6681 1.927162 251.1502 0.7572940 251.6323 2.3414999E-02 252.1144 2.8587000E-02 252.5966 6.3773997E-02 253.0787 0.1200710 253.5608 0.4324950 254.0429 0.5172880 254.5250 2.0111000E-02 255.0071 0.9559630 255.4893 1.367676 255.9714 0.9252010 256.4535 0.4679410 256.9356 0.4416730 257.4177 0.6431350 257.8998 0.7349620 258.3820 0.4901050 258.8641 3.0609000E-02 259.3462 0.1967240 259.8283 1.3939000E-02 260.3104 0.1154940 260.7925 0.2243120 261.2747 0.7258300 261.7568 1.015816 262.2389 0.8979490 262.7210 0.4748610 263.2031 3.9369999E-03 263.6852 0.7672120 264.1674 1.167953 264.6495 0.6206820 265.1316 0.1401370 265.6137 0.2242740 266.0958 0.7878190 266.5779 2.370979 267.0601 3.240265 267.5422 2.913712 268.0243 2.696526 268.5064 2.920219 268.9885 3.247696 269.4706 3.356026 269.9528 3.139694 270.4349 2.773621 270.9170 2.544373 271.3991 2.300629 271.8812 2.533653 272.3633 3.740318 272.8455 5.059982 273.3276 5.842903 273.8097 5.932861 274.2918 5.595505 274.7739 5.167465 275.2560 4.419609 275.7382 4.101387 276.2202 4.348785 276.7024 4.821800 277.1845 5.303543 277.6666 5.767845 278.1487 6.342438 278.6308 7.236122 279.1129 8.661636 279.5951 9.649254 280.0772 9.908615 280.5593 10.06900 281.0414 10.47982 281.5235 11.12803 282.0056 11.77110 282.4878 12.15775 282.9699 12.23153 283.4520 12.45273 283.9341 12.98930 284.4162 13.50117 284.8983 13.84506 285.3805 14.03980 285.8626 14.16212 286.3447 14.25722 286.8268 14.33147 287.3089 14.49899 287.7910 14.66446 288.2732 15.01032 288.7553 15.89951 289.2374 16.99118 289.7195 17.61745 290.2016 17.34530 290.6837 16.35165 291.1659 15.60192 291.6480 14.83637 292.1301 14.61868 292.6122 15.49176 293.0943 16.85921 293.5764 17.90597 294.0586 18.25964 294.5407 18.10746 295.0228 17.95551 295.5049 17.83403 295.9870 17.67381 296.4691 17.42937 296.9513 17.16387 297.4334 16.93842 297.9155 16.77493 298.3976 16.66705 298.8797 16.61816 299.3618 16.77422 299.8440 16.68784 300.3261 15.99812 300.8082 15.29691 301.2903 15.25363 301.7724 15.91373 302.2545 16.52982 302.7367 16.14568 303.2188 14.32525 303.7009 13.20818 304.1830 12.90532 304.6651 13.12682 305.1472 14.02812 305.6294 15.41252 306.1115 16.55312 306.5936 16.77293 307.0757 16.00383 307.5578 15.57671 308.0399 15.49332 308.5221 15.67437 309.0042 16.37921 309.4863 17.35142 309.9684 17.91826 310.4505 17.58403 310.9326 16.52666 311.4148 16.02695 311.8969 16.52303 312.3790 16.98930 312.8611 17.20841 313.3432 17.22384 313.8253 17.05388 314.3075 16.68572 314.7896 16.27962 315.2717 16.26562 315.7538 17.22431 316.2359 17.73398 316.7180 17.24348 317.2001 16.44083 317.6823 16.12560 318.1644 16.51854 318.6465 17.21925 319.1286 17.64645 319.6107 17.73180 320.0928 17.64781 320.5750 17.29063 321.0571 16.84509 321.5392 16.33104 322.0213 15.80937 322.5034 15.54392 322.9855 15.89234 323.4677 17.03168 323.9498 17.38614 324.4319 16.32653 324.9140 15.19130 325.3961 14.59306 325.8782 14.49613 326.3604 14.67818 326.8425 15.01947 327.3246 15.44313 327.8067 15.37035 328.2888 14.37531 328.7709 13.44947 329.2531 12.93502 329.7352 12.65148 330.2173 12.25121 330.6994 11.57996 331.1815 10.84993 331.6636 10.53326 332.1458 11.53244 332.6279 11.61926 333.1100 9.838531 333.5921 7.643471 334.0742 6.566078 334.5563 7.018295 335.0385 8.191086 335.5206 8.827850 336.0027 8.562103 336.4848 8.437698 336.9669 8.760773 337.4490 9.050179 337.9312 8.834999 338.4133 8.102440 338.8954 7.268131 339.3775 6.783081 339.8596 6.690201 340.3417 6.594471 340.8239 6.563942 341.3060 6.481216 341.7881 6.201714 342.2702 5.825214 342.7523 5.566196 343.2344 5.570457 343.7166 5.827614 344.1987 6.186558 344.6808 7.145775 345.1629 7.550865 345.6450 6.856419 346.1271 5.736389 346.6093 4.849468 347.0914 4.446899 347.5735 4.387318 348.0556 4.427021 348.5377 4.596306 349.0198 4.821541 349.5020 5.110649 349.9841 5.497692 350.4662 5.986626 350.9483 6.507881 351.4304 6.975834 351.9125 7.271137 352.3947 7.378681 352.8768 7.441174 353.3589 7.255089 353.8410 7.207687 354.3231 7.621201 354.8052 8.279362 355.2874 8.699463 355.7695 8.509575 356.2516 7.858635 356.7337 7.593307 357.2158 7.930897 357.6979 8.402378 358.1800 9.134987 358.6621 9.849968 359.1443 10.17556 359.6264 9.972477 360.1085 9.566475 360.5906 9.579678 361.0727 10.23152 361.5548 10.73477 362.0370 10.73419 362.5191 10.77231 363.0012 11.22303 363.4833 12.10113 363.9654 13.13525 364.4475 14.07877 364.9297 14.92171 365.4118 15.65365 365.8939 16.27943 366.3760 16.78934 366.8581 17.23243 367.3402 17.56086 367.8224 17.68099 368.3045 17.53078 368.7866 17.14214 369.2687 16.57077 369.7508 15.72186 370.2329 14.90145 370.7151 14.30811 371.1972 13.74650 371.6793 12.98474 372.1614 11.94682 372.6435 10.82745 373.1256 9.877384 373.6078 9.111084 374.0899 8.329269 374.5720 7.417953 375.0541 6.548405 375.5362 5.786453 376.0183 5.147865 376.5005 4.735771 376.9826 4.810753 377.4647 5.195007 377.9468 5.199615 378.4289 4.688808 378.9110 4.008015 379.3932 3.255669 379.8753 2.510620 380.3574 1.946270 380.8395 1.682068 381.3216 1.560760 381.8037 1.457760 382.2859 1.377674 382.7680 1.120434 383.2501 0.4151190 383.7322 0.3939670 384.2143 0.7668910 384.6964 0.6044460 385.1786 0.3086320 385.6607 5.4170000E-03 386.1428 0.2599450 386.6249 0.3695980 387.1070 0.2972110 387.5891 5.8075000E-02 388.0713 0.5738370 388.5534 1.549141 389.0355 1.898438 389.5176 0.8227390 389.9997 0.5935360 390.4818 1.297897 390.9640 1.244720 391.4461 0.8159980 391.9282 9.4581999E-02 392.4103 0.7665180 392.8924 1.020496 393.3745 0.1086200 393.8567 0.9492030 394.3388 0.4882510 394.8209 0.6156160 395.3030 1.184177 395.7851 0.7543600 396.2672 0.1769030 396.7494 0.7319640 397.2315 0.7994650 397.7136 0.7452240 398.1957 0.4598460 398.6778 0.1422960 399.1599 7.3589999E-03 399.6420 5.3710002E-03 400.1241 1.7952001E-02 400.6063 0.2830850 401.0884 0.8045460 401.5705 0.9964900 402.0526 0.9195400 402.5347 0.5092240 403.0168 0.6654660 403.4990 2.108818 403.9811 2.999493 404.4632 2.936913 404.9453 2.251312 405.4274 1.741306 405.9095 1.629539 406.3917 1.326130 406.8738 0.3857730 407.3559 0.4193150 407.8380 0.3580740 408.3201 0.5293430 408.8022 1.480518 409.2844 1.680882 409.7665 1.060879 410.2486 0.8022270 410.7307 1.253231 411.2128 1.716461 411.6949 1.926361 412.1771 2.004807 412.6592 2.241131 413.1413 2.832306 413.6234 3.475353 414.1055 3.371773 414.5876 2.114399 415.0698 1.399662 415.5519 2.015919 416.0340 2.963821 416.5161 3.777454 416.9982 4.398994 417.4803 4.634449 417.9625 4.078403 418.4446 2.886597 418.9267 2.167915 419.4088 2.227100 419.8909 2.345272 420.3730 1.967094 420.8552 1.319557 421.3373 0.8604850 421.8194 0.7172200 422.3015 0.8526460 422.7836 1.336006 423.2657 2.161179 423.7479 2.883087 424.2300 3.250389 424.7121 3.486530 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