#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:02:21 +0300 (Thu, 26 Apr 2018) $ #$Revision: 621 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000158.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_1000158 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 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 R130059.rod _rod_data_source.block 3500000 _rod_database.code 1000158 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 110.9664 0.0000000E+00 111.4485 3.358154 111.9306 0.6179200 112.4127 1.450195 112.8948 0.3334960 113.3769 2.503906 113.8591 5.153809 114.3412 6.268799 114.8233 8.974365 115.3054 13.35376 115.7875 18.97705 116.2696 25.55005 116.7517 32.96436 117.2339 40.95190 117.7160 48.81567 118.1981 55.83374 118.6802 63.93921 119.1623 74.30640 119.6444 86.26807 120.1266 98.04053 120.6087 108.6804 121.0908 118.5203 121.5729 128.5447 122.0550 138.7588 122.5371 149.0337 123.0193 159.1345 123.5014 169.0437 123.9835 178.9656 124.4656 188.4033 124.9477 198.0679 125.4298 208.8843 125.9120 221.3967 126.3941 234.8677 126.8762 247.5269 127.3583 258.7310 127.8404 270.4360 128.3225 284.2712 128.8047 298.6545 129.2868 311.3169 129.7689 320.6445 130.2510 326.9290 130.7331 334.2720 131.2152 343.5161 131.6974 353.1487 132.1795 363.1758 132.6616 373.3564 133.1437 383.0981 133.6258 391.7314 134.1079 398.8325 134.5901 408.1814 135.0722 420.8191 135.5543 434.3906 136.0364 447.5811 136.5185 460.2456 137.0006 472.9436 137.4828 485.9968 137.9649 499.3801 138.4470 514.2361 138.9291 531.1575 139.4112 549.4319 139.8933 568.6035 140.3755 588.7283 140.8576 608.8679 141.3397 627.3521 141.8218 644.9736 142.3039 664.9976 142.7860 688.2124 143.2681 712.7302 143.7503 734.8982 144.2324 754.2803 144.7145 771.4949 145.1966 787.3821 145.6787 801.0198 146.1608 811.5764 146.6430 816.1575 147.1251 814.4399 147.6072 808.2717 148.0893 796.3916 148.5714 780.6770 149.0535 761.4907 149.5357 739.0488 150.0178 713.5256 150.4999 684.9382 150.9820 651.0051 151.4641 618.3523 151.9462 588.0146 152.4284 558.6221 152.9105 528.5461 153.3926 497.4072 153.8747 466.1584 154.3568 437.3030 154.8389 412.7468 155.3211 388.7896 155.8032 364.5918 156.2853 341.0276 156.7674 319.4380 157.2495 300.5081 157.7316 283.7961 158.2138 267.5725 158.6959 251.5876 159.1780 236.2227 159.6601 221.5615 160.1422 207.6372 160.6243 194.5181 161.1065 182.3923 161.5886 171.1619 162.0707 160.3953 162.5528 150.6196 163.0349 140.8269 163.5170 130.1101 163.9991 118.6013 164.4813 107.8877 164.9634 99.29053 165.4455 92.16797 165.9276 84.88110 166.4097 77.09326 166.8918 69.15356 167.3740 61.33643 167.8561 53.55981 168.3382 46.36963 168.8203 40.37988 169.3024 35.12231 169.7845 30.00562 170.2667 24.97607 170.7488 19.95508 171.2309 14.55103 171.7130 8.321533 172.1951 2.531494 172.6772 2.761719 173.1594 7.371582 173.6415 11.04346 174.1236 13.57959 174.6057 15.03882 175.0878 15.69336 175.5699 14.66846 176.0521 13.74072 176.5342 13.37744 177.0163 13.44019 177.4984 13.74023 177.9805 14.30103 178.4626 15.13525 178.9448 14.36719 179.4269 9.677002 179.9090 5.665283 180.3911 4.536377 180.8732 5.415283 181.3553 5.867188 181.8375 3.749512 182.3196 1.250244 182.8017 5.817627 183.2838 9.238770 183.7659 12.91211 184.2480 17.76318 184.7301 23.64087 185.2123 29.54419 185.6944 34.47803 186.1765 38.25195 186.6586 42.55249 187.1407 47.08130 187.6228 52.27954 188.1050 58.87842 188.5871 66.86157 189.0692 74.91113 189.5513 81.60522 190.0334 86.97046 190.5155 92.75586 190.9977 98.95142 191.4798 105.7363 191.9619 113.6621 192.4440 123.0225 192.9261 132.4038 193.4082 140.4543 193.8904 147.4656 194.3725 153.9060 194.8546 158.8289 195.3367 163.4688 195.8188 170.7117 196.3009 181.9119 196.7831 193.2820 197.2652 201.8464 197.7473 208.3987 198.2294 214.6611 198.7115 221.4817 199.1936 228.8015 199.6758 236.2583 200.1579 243.8743 200.6400 251.5957 201.1221 260.0132 201.6042 268.5701 202.0863 275.8074 202.5685 280.1169 203.0506 281.8328 203.5327 284.7471 204.0148 288.7412 204.4969 294.1399 204.9790 302.1052 205.4612 311.5422 205.9433 320.0886 206.4254 325.8193 206.9075 328.6545 207.3896 331.6904 207.8717 333.9541 208.3539 337.3474 208.8360 343.4668 209.3181 351.4546 209.8002 358.9895 210.2823 363.5994 210.7644 364.5984 211.2466 368.3132 211.7287 377.3577 212.2108 386.4385 212.6929 393.4399 213.1750 398.5408 213.6571 403.2141 214.1393 408.8647 214.6214 415.8235 215.1035 421.3533 215.5856 425.6021 216.0677 428.7080 216.5498 429.9436 217.0320 429.7874 217.5141 430.0637 217.9962 432.6614 218.4783 438.0046 218.9604 441.6328 219.4425 443.4875 219.9247 443.9194 220.4068 442.6594 220.8889 439.9080 221.3710 436.7798 221.8531 434.3076 222.3352 432.5073 222.8174 429.7043 223.2995 425.9275 223.7816 421.1494 224.2637 415.3423 224.7458 408.5017 225.2279 400.6907 225.7100 391.5652 226.1922 381.3396 226.6743 371.6707 227.1564 362.6721 227.6385 354.2822 228.1206 347.3994 228.6027 342.1729 229.0849 335.4653 229.5670 323.6521 230.0491 308.5701 230.5312 295.0811 231.0133 285.0801 231.4954 276.5876 231.9776 267.6685 232.4597 258.4167 232.9418 248.6924 233.4239 238.0159 233.9060 226.9131 234.3881 216.1155 234.8703 205.7307 235.3524 195.7380 235.8345 186.0625 236.3166 176.6296 236.7987 167.5884 237.2808 159.2354 237.7630 151.4336 238.2451 143.9836 238.7272 137.0012 239.2093 129.8962 239.6914 121.5178 240.1735 111.2476 240.6557 102.2222 241.1378 95.80664 241.6199 90.92334 242.1020 86.82373 242.5841 83.37256 243.0662 80.34082 243.5484 77.44873 244.0305 74.89795 244.5126 71.95361 244.9947 68.42285 245.4768 64.46997 245.9589 60.05688 246.4410 55.12939 246.9232 50.13794 247.4053 45.80908 247.8874 42.41650 248.3695 39.08496 248.8516 35.13721 249.3337 31.47192 249.8159 29.08545 250.2980 28.22583 250.7801 27.85669 251.2622 26.10132 251.7443 22.10400 252.2264 18.65576 252.7086 16.65845 253.1907 14.79028 253.6728 11.52417 254.1549 6.707031 254.6370 2.085693 255.1191 0.6486820 255.6013 4.720947 256.0834 7.016113 256.5655 6.500488 257.0476 5.183350 257.5297 4.344482 258.0118 4.227051 258.4940 4.236572 258.9761 3.561523 259.4582 1.931396 259.9403 0.2600100 260.4224 1.896729 260.9045 3.776367 261.3867 5.011719 261.8688 5.517090 262.3509 5.229004 262.8330 3.924316 263.3151 0.9916990 263.7972 0.6564940 264.2794 0.3811040 264.7615 0.3613280 265.2436 0.9362790 265.7257 1.228760 266.2078 1.396484 266.6899 1.680420 267.1721 2.272705 267.6542 1.533691 268.1363 1.431641 268.6184 4.618408 269.1005 7.352783 269.5826 9.478271 270.0648 10.85059 270.5469 11.24170 271.0290 10.60156 271.5111 10.45435 271.9932 11.23389 272.4753 11.96069 272.9575 11.84937 273.4396 11.29053 273.9217 11.54639 274.4038 13.69458 274.8859 17.44482 275.3680 19.07690 275.8501 16.98804 276.3322 15.06445 276.8144 14.27979 277.2965 14.63135 277.7786 16.25903 278.2607 19.50244 278.7428 23.70508 279.2249 25.93774 279.7071 24.20435 280.1892 23.27173 280.6713 25.25879 281.1534 28.75098 281.6355 31.14600 282.1176 31.28101 282.5998 30.03735 283.0819 29.55127 283.5640 29.38354 284.0461 30.24609 284.5282 33.39233 285.0103 37.50708 285.4925 40.30981 285.9746 41.01147 286.4567 40.96118 286.9388 42.49023 287.4209 46.09082 287.9030 49.33496 288.3852 51.49585 288.8673 53.15527 289.3494 55.09106 289.8315 57.50635 290.3136 59.97559 290.7957 61.88306 291.2779 63.15161 291.7600 64.58325 292.2421 66.15259 292.7242 67.92822 293.2063 69.81372 293.6884 71.76514 294.1706 74.25732 294.6527 78.20654 295.1348 83.63501 295.6169 87.22705 296.0990 87.57788 296.5811 86.99756 297.0633 87.16187 297.5454 88.12671 298.0275 89.26685 298.5096 90.22778 298.9917 91.00659 299.4738 91.69458 299.9560 91.88281 300.4381 92.36328 300.9202 94.07983 301.4023 96.66504 301.8844 98.35229 302.3665 97.87866 302.8487 96.11060 303.3308 95.70044 303.8129 97.15894 304.2950 98.94531 304.7771 100.6487 305.2592 102.1733 305.7414 103.2585 306.2235 103.7871 306.7056 103.8582 307.1877 103.5547 307.6698 102.7493 308.1519 102.1458 308.6341 102.3601 309.1162 102.8533 309.5983 102.7854 310.0804 102.0004 310.5625 100.4133 311.0446 97.29028 311.5268 92.47070 312.0089 89.16309 312.4910 89.25537 312.9731 90.61108 313.4552 90.90173 313.9373 89.76514 314.4195 87.55688 314.9016 84.21313 315.3837 79.80823 315.8658 75.88696 316.3479 72.51489 316.8300 69.70483 317.3121 67.75439 317.7943 66.56824 318.2764 65.13770 318.7585 62.87378 319.2406 59.90027 319.7227 56.83252 320.2048 53.18091 320.6870 50.07715 321.1691 48.67493 321.6512 48.42700 322.1333 47.60571 322.6154 45.30200 323.0975 42.09705 323.5797 39.59717 324.0618 38.03259 324.5439 36.52295 325.0260 34.78503 325.5081 32.94702 325.9902 30.97534 326.4724 28.64661 326.9545 26.50525 327.4366 25.61829 327.9187 26.19543 328.4008 26.46497 328.8829 26.14014 329.3651 25.31445 329.8472 23.94165 330.3293 22.00842 330.8114 19.96021 331.2935 18.14111 331.7756 16.57922 332.2578 15.45264 332.7399 14.98315 333.2220 14.78223 333.7041 14.75696 334.1862 14.82129 334.6683 14.57971 335.1505 13.71667 335.6326 12.30762 336.1147 11.01221 336.5968 10.11475 337.0789 9.007202 337.5610 7.312134 338.0432 5.210205 338.5253 3.100952 339.0074 1.133789 339.4895 0.6280520 339.9716 2.015503 340.4537 3.454346 340.9359 3.848511 341.4180 1.832275 341.9001 0.9337160 342.3822 2.172974 342.8643 1.232788 343.3464 0.7292480 343.8286 2.193604 344.3107 3.054688 344.7928 3.570557 345.2749 3.804565 345.7570 3.641968 346.2391 2.688477 346.7213 1.070923 347.2034 0.3988040 347.6855 1.002197 348.1676 0.6995850 348.6497 9.5825002E-02 349.1318 1.183228 349.6140 2.323975 350.0961 3.173462 350.5782 3.597290 351.0603 3.269653 351.5424 1.926392 352.0245 0.1652830 352.5067 1.864136 352.9888 2.790039 353.4709 3.795044 353.9530 4.756226 354.4351 5.928711 354.9172 7.814453 355.3994 10.55103 355.8815 13.48132 356.3636 15.51807 356.8457 16.40405 357.3278 16.74866 357.8099 15.60461 358.2920 14.65405 358.7741 15.27161 359.2563 17.40808 359.7384 19.94031 360.2205 21.80676 360.7026 22.95728 361.1847 23.90613 361.6668 23.89612 362.1490 24.47827 362.6311 26.88489 363.1132 30.22266 363.5953 32.55554 364.0774 32.56873 364.5595 31.11646 365.0417 31.93811 365.5238 37.75012 366.0059 42.14258 366.4880 42.81824 366.9701 42.56409 367.4522 44.69226 367.9344 50.08081 368.4165 56.11963 368.8986 58.26880 369.3807 54.20435 369.8628 52.62048 370.3449 55.62012 370.8271 59.47559 371.3092 62.31250 371.7913 64.11707 372.2734 66.01294 372.7555 69.26172 373.2376 73.78284 373.7198 76.73267 374.2019 76.54590 374.6840 76.68103 375.1661 78.34753 375.6482 81.04822 376.1303 84.05212 376.6125 87.10510 377.0946 90.04041 377.5767 92.32104 378.0588 93.49695 378.5409 95.28479 379.0230 98.63794 379.5052 102.4689 379.9873 105.9908 380.4694 109.0377 380.9515 111.9178 381.4336 115.1223 381.9157 118.6299 382.3979 121.2190 382.8800 122.0736 383.3621 122.7075 383.8442 124.2263 384.3263 126.4180 384.8084 128.5262 385.2906 129.9800 385.7727 131.0785 386.2548 132.6748 386.7369 135.0145 387.2190 136.9509 387.7011 137.8640 388.1833 137.9285 388.6654 137.2062 389.1475 135.3679 389.6296 133.6001 390.1117 132.9181 390.5938 133.2230 391.0760 134.0256 391.5581 135.7849 392.0402 137.2719 392.5223 136.6230 393.0044 133.7269 393.4865 130.5374 393.9687 127.7433 394.4508 125.2335 394.9329 123.0120 395.4150 121.0538 395.8971 118.6118 396.3792 114.7755 396.8614 109.7069 397.3435 105.2769 397.8256 102.1295 398.3077 99.10535 398.7898 95.66003 399.2719 91.89600 399.7540 87.52649 400.2361 81.93262 400.7183 76.08374 401.2004 73.07678 401.6825 74.95410 402.1646 75.61914 402.6467 73.16980 403.1288 69.39099 403.6110 66.31567 404.0931 64.47473 404.5752 63.28772 405.0573 62.13440 405.5394 61.10010 406.0215 59.15735 406.5037 55.04297 406.9858 51.39099 407.4679 49.66138 407.9500 49.29333 408.4321 48.98315 408.9142 48.24255 409.3964 47.20239 409.8785 46.21045 410.3606 44.98804 410.8427 43.96643 411.3248 43.38855 411.8069 42.89075 412.2891 41.99707 412.7712 40.63953 413.2533 39.31873 413.7354 38.66052 414.2175 38.68640 414.6996 39.24219 415.1818 41.44458 415.6639 43.13110 416.1460 42.96277 416.6281 41.57654 417.1102 40.57275 417.5923 41.03418 418.0745 42.55981 418.5566 43.83301 419.0387 44.91345 419.5208 45.58862 420.0029 46.01892 420.4850 45.93359 420.9672 44.68787 421.4493 42.08252 421.9314 39.67664 422.4135 39.37305 422.8956 41.05811 423.3777 42.33398 423.8599 42.96375 424.3420 42.91943 424.8241 41.92859 425.3062 40.25952 425.7883 38.85986 426.2704 37.78784 426.7526 37.37634 427.2347 38.47766 427.7168 41.19763 428.1989 43.87512 428.6810 46.31116 429.1631 47.68811 429.6453 46.27979 430.1274 40.35022 430.6095 35.56006 431.0916 35.87195 431.5737 39.12964 432.0558 41.12415 432.5380 40.80127 433.0201 39.06323 433.5022 36.58813 433.9843 33.18457 434.4664 30.76001 434.9485 30.12842 435.4307 29.83447 435.9128 28.86438 436.3949 27.37158 436.8770 26.19336 437.3591 25.92603 437.8412 26.12964 438.3234 25.13318 438.8055 21.11572 439.2876 18.24097 439.7697 17.30054 440.2518 17.35596 440.7339 17.88232 441.2160 18.61072 441.6982 19.03711 442.1803 18.56958 442.6624 17.12207 443.1445 15.42468 443.6266 13.36816 444.1087 11.18494 444.5909 8.863770 445.0730 6.494751 445.5551 4.098022 446.0372 1.667358 446.5193 0.5823970 447.0014 2.141968 447.4836 2.873535 447.9657 3.320923 448.4478 3.173706 448.9299 3.074341 449.4120 3.725098 449.8941 5.017212 450.3763 5.862061 450.8584 4.756226 451.3405 2.382935 451.8226 2.014038 452.3047 4.640259 452.7868 6.953613 453.2690 6.499390 453.7511 4.630371 454.2332 3.154053 454.7153 2.508911 455.1974 2.234741 455.6795 2.183228 456.1617 2.245972 456.6438 1.865601 457.1259 0.7554930 457.6080 0.5800780 458.0901 1.604736 458.5722 2.363647 459.0544 2.580444 459.5365 1.366455 460.0186 0.2108150 460.5007 0.7486570 460.9828 2.755249 461.4649 4.669678 461.9471 5.636230 462.4292 5.686890 462.9113 4.897339 463.3934 2.615479 463.8755 0.4112550 464.3576 2.684082 464.8398 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