#\#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
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