#\#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
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473.6086 14.50514
474.0908 15.02257
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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
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1301.403 9.6496999E-02
1301.885 0.0000000E+00
