#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:52 +0300 (Thu, 24 May 2018) $ #$Revision: 852 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000339.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_1000339 loop_ _publ_author_name 'Krause, W.' 'Bernhardt, H. J.' 'McCammon, C.' 'Effenberger, H.' _publ_section_title ; Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from Schneeberg, Germany: description and crystal structure Locality: Schneeberg, Germany ; _journal_name_full 'Mineralogy and Petrology' _journal_page_first 263 _journal_page_last 277 _journal_paper_doi 10.1007/BF01164154 _journal_volume 63 _journal_year 1998 _chemical_compound_source R130059 _chemical_formula_sum 'Bi Fe H O7 P Pb' _chemical_name_mineral Brendelite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 111.14 _cell_angle_gamma 90 _cell_length_a 12.278 _cell_length_b 3.815 _cell_length_c 6.899 _cell_volume 301.406 _exptl_crystal_density_diffrn 6.788 _cod_original_formula_sum '(Bi Pb) Fe P O7 H' _cod_database_code 9009847 _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 R130059.rod _rod_data_source.block 3500000 _rod_database.code 1000339 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 9009847 COD http://www.crystallography.net/cod/9009847.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 187.7134 0.0000000E+00 188.1956 2.245087 188.6777 0.6218110 189.1598 0.8566130 189.6419 0.5283050 190.1240 0.6057130 190.6061 2.382828 191.0883 5.188110 191.5704 9.539948 192.0525 15.33594 192.5346 21.59763 193.0167 28.11417 193.4988 34.69315 193.9810 40.21381 194.4631 44.30710 194.9452 48.35785 195.4273 52.07950 195.9094 55.46994 196.3915 59.41138 196.8737 64.35718 197.3558 69.81567 197.8379 74.00485 198.3200 76.69022 198.8021 79.15875 199.2842 82.43933 199.7664 86.56033 200.2485 91.03592 200.7306 95.93771 201.2127 101.1498 201.6948 106.1648 202.1769 110.9975 202.6591 115.6649 203.1412 119.9817 203.6233 123.8814 204.1054 128.0805 204.5875 132.5073 205.0696 137.2665 205.5518 143.6506 206.0339 152.0390 206.5160 161.1366 206.9981 169.7069 207.4802 177.6111 207.9623 185.2693 208.4445 192.5328 208.9266 199.4881 209.4087 207.4791 209.8908 216.7140 210.3729 226.6241 210.8550 236.6591 211.3372 246.6919 211.8193 256.9545 212.3014 267.6507 212.7835 278.6909 213.2656 289.3859 213.7477 299.7446 214.2299 309.8028 214.7120 319.3442 215.1941 328.1723 215.6762 337.2609 216.1583 347.0320 216.6404 357.4307 217.1226 367.6978 217.6047 377.9874 218.0868 387.9793 218.5689 397.4640 219.0510 406.5624 219.5331 414.9860 220.0153 422.6772 220.4974 429.6075 220.9795 436.6683 221.4616 444.3654 221.9437 451.7722 222.4258 457.8292 222.9080 462.1789 223.3901 465.9081 223.8722 469.2584 224.3543 472.3199 224.8364 474.5960 225.3185 476.0489 225.8007 476.7277 226.2828 476.7906 226.7649 476.6240 227.2470 475.1627 227.7291 472.0981 228.2112 467.2605 228.6934 461.6129 229.1755 455.1462 229.6576 448.1644 230.1397 441.0703 230.6218 434.0073 231.1039 425.7430 231.5861 416.0884 232.0682 404.7981 232.5503 393.2390 233.0324 381.3114 233.5145 369.2889 233.9966 357.2076 234.4788 345.0396 234.9609 333.0334 235.4430 321.3186 235.9251 309.9680 236.4072 298.3677 236.8893 286.3424 237.3715 274.1965 237.8536 262.3211 238.3357 250.4992 238.8178 239.0621 239.2999 228.0309 239.7820 217.5030 240.2642 207.2950 240.7463 197.2821 241.2284 187.6680 241.7105 178.7797 242.1926 171.0740 242.6747 163.2618 243.1569 154.9872 243.6390 146.1003 244.1211 137.7076 244.6032 129.8207 245.0853 122.3439 245.5674 114.6604 246.0496 107.1469 246.5317 100.1704 247.0138 93.89868 247.4959 88.39896 247.9780 82.79294 248.4601 76.85178 248.9423 70.97574 249.4244 65.62799 249.9065 61.00711 250.3886 56.51730 250.8707 51.91083 251.3528 47.19211 251.8350 43.17609 252.3171 40.22092 252.7992 37.62222 253.2813 34.53485 253.7634 30.35651 254.2455 27.08105 254.7277 25.42026 255.2098 25.40115 255.6919 24.55225 256.1740 22.58105 256.6561 20.13828 257.1382 17.81830 257.6204 15.54282 258.1025 13.53732 258.5846 11.96393 259.0667 10.78476 259.5488 9.274658 260.0309 7.183746 260.5131 5.178406 260.9952 3.989716 261.4773 4.001740 261.9594 3.714966 262.4415 2.762787 262.9236 1.233948 263.4058 0.1574710 263.8879 0.3243100 264.3700 0.6117250 264.8521 1.033386 265.3342 1.621094 265.8163 2.210327 266.2985 2.750244 266.7806 3.263885 267.2627 3.978912 267.7448 5.062988 268.2269 5.989716 268.7090 6.257843 269.1912 5.650940 269.6733 5.374084 270.1554 5.679291 270.6375 6.402008 271.1196 6.932281 271.6017 7.346832 272.0839 7.366882 272.5660 6.627411 273.0481 4.958282 273.5302 3.633759 274.0123 2.776459 274.4944 2.324829 274.9766 2.190979 275.4587 2.470459 275.9408 2.682922 276.4229 2.537750 276.9050 2.022247 277.3871 1.282715 277.8693 0.2591860 278.3514 0.9075620 278.8335 1.882904 279.3156 2.639862 279.7977 3.408569 280.2798 4.404785 280.7620 5.627228 281.2441 6.501221 281.7262 6.921967 282.2083 7.157104 282.6904 7.561401 283.1725 8.111542 283.6547 9.072388 284.1368 10.73523 284.6189 13.02414 285.1010 15.18042 285.5831 17.23611 286.0652 19.12469 286.5474 20.65112 287.0295 21.80722 287.5116 22.97733 287.9937 24.19443 288.4758 25.53641 288.9579 27.48804 289.4401 30.14673 289.9222 32.97708 290.4043 35.33417 290.8864 37.26346 291.3685 39.09540 291.8506 40.83182 292.3328 42.55124 292.8149 44.52902 293.2970 46.79984 293.7791 49.06714 294.2612 50.95493 294.7433 52.55118 295.2255 54.18594 295.7076 55.98212 296.1897 57.86636 296.6718 59.56479 297.1539 61.08514 297.6360 62.83313 298.1182 65.52170 298.6003 68.69940 299.0824 71.22864 299.5645 72.54248 300.0466 73.38422 300.5287 74.78894 301.0109 76.69733 301.4930 78.72009 301.9751 80.70035 302.4572 82.57199 302.9393 84.17068 303.4214 85.44803 303.9036 86.54462 304.3857 87.52643 304.8678 88.43341 305.3499 89.41837 305.8320 90.59714 306.3141 91.89349 306.7963 93.25809 307.2784 94.78461 307.7605 96.13013 308.2426 96.93286 308.7247 97.32565 309.2068 97.63000 309.6890 97.74741 310.1711 97.98801 310.6532 98.85028 311.1353 100.5858 311.6174 101.8362 312.0995 101.4106 312.5817 99.95490 313.0638 98.51221 313.5459 97.68921 314.0280 96.85745 314.5101 95.58191 314.9922 93.82181 315.4744 92.01785 315.9565 90.38681 316.4386 88.84314 316.9207 87.31354 317.4028 86.10287 317.8849 84.59552 318.3671 82.38507 318.8492 79.48975 319.3313 76.72870 319.8134 74.57135 320.2955 72.54108 320.7776 70.28638 321.2598 67.43924 321.7419 64.62698 322.2240 62.07639 322.7061 59.70956 323.1882 57.14636 323.6703 53.86874 324.1525 50.66068 324.6346 48.00140 325.1167 46.46472 325.5988 44.69302 326.0809 42.56995 326.5630 40.15959 327.0452 37.58867 327.5273 34.36549 328.0094 31.40450 328.4915 29.05128 328.9736 27.66295 329.4557 26.17740 329.9379 24.70816 330.4200 23.15068 330.9021 21.31879 331.3842 18.77144 331.8663 16.45135 332.3484 14.56714 332.8306 13.16093 333.3127 12.08650 333.7948 11.68811 334.2769 11.32127 334.7590 10.17737 335.2411 7.706985 335.7233 5.709732 336.2054 4.633102 336.6875 4.395935 337.1696 4.230225 337.6517 4.228683 338.1339 4.132996 338.6160 3.680923 339.0981 2.776978 339.5802 1.965881 340.0623 1.299774 340.5444 0.7903140 341.0266 0.6157530 341.5087 0.8518680 341.9908 1.009323 342.4729 0.6492610 342.9550 0.2228850 343.4371 0.7618410 343.9193 0.8398280 344.4014 0.6689610 344.8835 0.6010280 345.3656 0.6349640 345.8477 0.6722110 346.3298 0.5845790 346.8120 0.4384920 347.2941 0.6143190 347.7762 1.185440 348.2583 1.727615 348.7404 1.667206 349.2225 1.115250 349.7047 0.5495450 350.1868 0.1450810 350.6689 0.1555480 351.1510 0.4340060 351.6331 0.6895450 352.1152 0.9564060 352.5974 1.252762 353.0795 1.579712 353.5616 1.960037 354.0437 2.500366 354.5258 2.965057 355.0079 2.899414 355.4901 2.462296 355.9722 2.357361 356.4543 3.464447 356.9364 4.915054 357.4185 5.760468 357.9006 5.627182 358.3828 5.434799 358.8649 5.680420 359.3470 6.286041 359.8291 7.090439 360.3112 8.547516 360.7933 9.788055 361.2755 10.13029 361.7576 9.364990 362.2397 8.788162 362.7218 8.892288 363.2039 9.440842 363.6860 10.17023 364.1682 11.18947 364.6503 12.21175 365.1324 13.01611 365.6145 13.62766 366.0966 14.58171 366.5787 16.52856 367.0609 18.49495 367.5430 19.85756 368.0251 19.86824 368.5072 20.10352 368.9893 20.70830 369.4714 21.61754 369.9536 22.62338 370.4357 23.79160 370.9178 24.99181 371.3999 26.12827 371.8820 27.05101 372.3641 28.34563 372.8463 30.22537 373.3284 32.32129 373.8105 34.07007 374.2926 35.36250 374.7747 36.53970 375.2568 37.59073 375.7390 38.51366 376.2211 40.05911 376.7032 42.50031 377.1853 45.01898 377.6674 46.70532 378.1495 47.41928 378.6317 48.63550 379.1138 50.79533 379.5959 53.55396 380.0780 55.95493 380.5601 57.97629 381.0422 59.77394 381.5244 61.38309 382.0065 62.84901 382.4886 64.29410 382.9707 65.71570 383.4528 67.21716 383.9349 69.16142 384.4171 71.43414 384.8992 73.38910 385.3813 74.53113 385.8634 75.24017 386.3455 76.28058 386.8276 77.67694 387.3098 78.93326 387.7919 79.60483 388.2740 79.82925 388.7561 79.87460 389.2382 79.79105 389.7203 79.65836 390.2025 79.50244 390.6846 79.26898 391.1667 78.99542 391.6488 79.08740 392.1309 79.02919 392.6130 78.24045 393.0952 76.22237 393.5773 74.24084 394.0594 73.19812 394.5415 72.56081 395.0236 71.32318 395.5057 68.53833 395.9879 65.67294 396.4700 63.26773 396.9521 61.37450 397.4342 59.64314 397.9163 58.37589 398.3984 57.09966 398.8806 55.37041 399.3627 52.52286 399.8448 49.94917 400.3269 47.85507 400.8090 46.16095 401.2911 44.50896 401.7733 43.08496 402.2554 41.61006 402.7375 39.83073 403.2196 37.41806 403.7017 35.45312 404.1838 34.13422 404.6660 33.15643 405.1481 31.91983 405.6302 30.33163 406.1123 28.77422 406.5944 27.45619 407.0765 26.39192 407.5587 25.17435 408.0408 23.70712 408.5229 22.38289 409.0050 21.77435 409.4871 21.81636 409.9692 21.56815 410.4514 20.68452 410.9335 19.54501 411.4156 19.03418 411.8977 19.10381 412.3798 19.10748 412.8619 18.41302 413.3441 17.35777 413.8262 16.67633 414.3083 16.54938 414.7904 16.55565 415.2725 16.33121 415.7546 15.88831 416.2368 15.28682 416.7189 14.17209 417.2010 13.21204 417.6831 13.10574 418.1652 13.81377 418.6473 14.43578 419.1295 14.41104 419.6116 14.09160 420.0937 13.79025 420.5758 13.56548 421.0579 13.40967 421.5400 13.38947 422.0222 13.43842 422.5043 13.38786 422.9864 13.01396 423.4685 12.69830 423.9506 12.66054 424.4327 13.09921 424.9149 13.18190 425.3970 12.52980 425.8791 11.70619 426.3612 11.27682 426.8433 11.54800 427.3254 11.72664 427.8076 11.68503 428.2897 11.44490 428.7718 11.16336 429.2539 10.82173 429.7360 10.47083 430.2181 10.12033 430.7003 9.750214 431.1824 9.508423 431.6645 9.423904 432.1466 9.430099 432.6287 9.457672 433.1108 9.510635 433.5930 9.470749 434.0751 9.316376 434.5572 9.037491 435.0393 8.532028 435.5214 7.799072 436.0035 7.065598 436.4857 6.586227 436.9678 6.268570 437.4499 5.831772 437.9320 5.098419 438.4141 4.459412 438.8962 4.533981 439.3784 5.088440 439.8605 5.440598 440.3426 4.980774 440.8247 4.311676 441.3068 4.045395 441.7889 4.286270 442.2711 4.246414 442.7532 3.195908 443.2353 1.794174 443.7174 0.7258610 444.1995 0.3294530 444.6816 0.1350710 445.1638 0.1556240 445.6459 0.3137050 446.1280 0.2683560 446.6101 0.4041440 447.0922 0.9804530 447.5743 1.061050 448.0565 0.2148900 448.5386 2.2537000E-02 449.0207 0.7423860 449.5028 1.870041 449.9849 2.502060 450.4670 2.401978 450.9492 2.341492 451.4313 2.480087 451.9134 2.795212 452.3955 3.188293 452.8776 3.708694 453.3597 4.108994 453.8419 4.150208 454.3240 3.842484 454.8061 3.647095 455.2882 3.655869 455.7703 3.651566 456.2524 3.240723 456.7346 2.475128 457.2167 1.747192 457.6988 1.048248 458.1809 0.5573880 458.6630 0.7562410 459.1451 1.601685 459.6273 2.377075 460.1094 2.538025 460.5915 2.301208 461.0736 1.933426 461.5557 1.467133 462.0378 0.9254760 462.5200 0.1119840 463.0021 0.7609710 463.4842 1.257538 463.9663 0.4188230 464.4484 0.1429600 464.9305 0.6255950 465.4127 2.867844 465.8948 4.596527 466.3769 5.063522 466.8590 5.069565 467.3411 5.186874 467.8232 5.399017 468.3054 5.803497 468.7875 6.506149 469.2696 7.376740 469.7517 8.096771 470.2338 8.594376 470.7159 9.051331 471.1981 9.455841 471.6802 9.790253 472.1623 10.59764 472.6444 12.00722 473.1265 13.50275 473.6086 14.50514 474.0908 15.02257 474.5729 15.60159 475.0550 16.36630 475.5371 17.19543 476.0192 17.80717 476.5013 18.23752 476.9835 18.75494 477.4656 19.63484 477.9477 20.65598 478.4298 21.39479 478.9119 21.82344 479.3940 22.31535 479.8762 23.35315 480.3583 24.57248 480.8404 25.48276 481.3225 25.76732 481.8046 25.97086 482.2867 26.40494 482.7689 26.98285 483.2510 27.47488 483.7331 27.87395 484.2152 28.12448 484.6973 28.12375 485.1794 27.77281 485.6616 27.67435 486.1437 28.11977 486.6258 28.69296 487.1079 29.07516 487.5900 29.13168 488.0721 29.21689 488.5543 29.29588 489.0364 29.43716 489.5185 29.95091 490.0006 31.03171 490.4827 31.82698 490.9648 31.82532 491.4470 31.07562 491.9291 30.65787 492.4112 30.63638 492.8933 30.64760 493.3754 30.21878 493.8575 29.47519 494.3397 28.96236 494.8218 28.81252 495.3039 28.93755 495.7860 29.43317 496.2681 30.15703 496.7502 30.61407 497.2324 30.40402 497.7145 29.89542 498.1966 29.35826 498.6787 28.80400 499.1608 28.36897 499.6429 28.03548 500.1251 27.89096 500.6072 28.03152 501.0893 28.95285 501.5714 29.46172 502.0535 28.95070 502.5356 27.87669 503.0178 27.28545 503.4999 27.84305 503.9820 28.25378 504.4641 28.16313 504.9462 27.57091 505.4283 26.81075 505.9105 25.84784 506.3926 24.89221 506.8747 24.09148 507.3568 23.46463 507.8389 22.69592 508.3210 21.67841 508.8032 20.77541 509.2853 20.87970 509.7674 21.90176 510.2495 22.53723 510.7316 22.06265 511.2137 20.92221 511.6959 20.05695 512.1780 19.47064 512.6601 18.91010 513.1422 18.03516 513.6243 17.12598 514.1064 16.62939 514.5886 16.75085 515.0707 16.89648 515.5528 16.71051 516.0349 16.29749 516.5170 15.80560 516.9991 14.87192 517.4813 14.24240 517.9634 14.37271 518.4455 15.18762 518.9276 15.86435 519.4097 16.34924 519.8918 16.63281 520.3740 16.63742 520.8561 16.14905 521.3382 16.00284 521.8203 16.23935 522.3024 16.76007 522.7845 17.49496 523.2667 18.46234 523.7488 19.50037 524.2309 20.56561 524.7130 21.67496 525.1951 22.90088 525.6772 24.24725 526.1594 25.64456 526.6415 26.97089 527.1236 28.35602 527.6057 30.04803 528.0878 32.04980 528.5699 34.38022 529.0521 37.33685 529.5342 40.51303 530.0163 43.30148 530.4984 45.17926 530.9805 47.27478 531.4626 50.30042 531.9448 53.95834 532.4269 57.65659 532.9090 61.13159 533.3911 64.73474 533.8732 68.66585 534.3553 72.90479 534.8375 77.12512 535.3196 80.99921 535.8017 85.11789 536.2838 89.84416 536.7659 95.51778 537.2480 100.9053 537.7302 105.8011 538.2123 110.6594 538.6944 116.2268 539.1765 122.6301 539.6586 128.6157 540.1407 133.7762 540.6229 138.3177 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