#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:09 +0300 (Thu, 26 Apr 2018) $
#$Revision: 572 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000116.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_1000116
loop_
_publ_author_name
'Hofmeister, W.'
'Tillmanns, E.'
_publ_section_title
;
 Strukturelle untersuchungen an arsenbrackebuschit
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              153
_journal_page_last               163
_journal_volume                  25
_journal_year                    1978
_chemical_compound_source        R100184
_chemical_formula_sum            'As2 Fe0.65 H2.65 O9 Pb2 Zn0.35'
_chemical_name_mineral           Arsenbrackebuschite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.5
_cell_angle_gamma                90
_cell_length_a                   7.763
_cell_length_b                   6.046
_cell_length_c                   9.022
_cell_volume                     391.215
_exptl_crystal_density_diffrn    6.537
_cod_original_formula_sum        'Pb2 (Fe.65 Zn.35) As2 O9 H2.65'
_cod_database_code               9009598
_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            R100184.rod
_rod_data_source.block           3500000
_rod_database.code               1000116
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 9009598 COD http://www.crystallography.net/cod/9009598.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
151.8342 0.0000000E+00
152.3164 0.7608640
152.7985 2.686279
153.2806 5.035217
153.7627 7.519531
154.2448 10.08679
154.7269 12.51105
155.2091 15.56555
155.6912 18.21698
156.1733 19.49109
156.6554 18.89026
157.1375 17.46112
157.6196 16.83319
158.1018 17.43597
158.5839 18.06689
159.0660 18.42310
159.5481 20.73010
160.0302 22.05920
160.5123 19.80542
160.9945 18.15942
161.4766 16.69171
161.9587 14.79364
162.4408 12.47125
162.9229 9.822510
163.4050 7.196411
163.8871 4.929443
164.3693 3.224731
164.8514 2.067993
165.3335 1.165771
165.8156 0.8998410
166.2977 0.3618160
166.7798 1.387756
167.2620 3.323730
167.7441 3.519470
168.2262 0.8145750
168.7083 3.375183
169.1904 4.845459
169.6725 2.261230
170.1547 3.8451999E-02
170.6368 1.0132000E-02
171.1189 1.813843
171.6010 4.264038
172.0831 7.033936
172.5652 9.933105
173.0474 12.59558
173.5295 14.91132
174.0116 17.14282
174.4937 19.49438
174.9758 21.97009
175.4579 24.40271
175.9401 26.78131
176.4222 29.04858
176.9043 31.14917
177.3864 33.10217
177.8685 34.83667
178.3506 36.12421
178.8328 36.74481
179.3149 37.73291
179.7970 39.55389
180.2791 41.83075
180.7612 44.22406
181.2433 46.59363
181.7255 49.18274
182.2076 52.70300
182.6897 58.14496
183.1718 62.63129
183.6539 64.90704
184.1360 66.36157
184.6181 68.33014
185.1003 71.45154
185.5824 75.54340
186.0645 79.97052
186.5466 85.46277
187.0287 90.45709
187.5108 94.15942
187.9930 97.38562
188.4751 101.2043
188.9572 106.5861
189.4393 112.6658
189.9214 119.2169
190.4035 127.4503
190.8857 135.0984
191.3678 141.1619
191.8499 145.7508
192.3320 149.6932
192.8141 153.7258
193.2962 157.5761
193.7784 160.8127
194.2605 164.5655
194.7426 167.8251
195.2247 170.0234
195.7068 171.3928
196.1889 172.6039
196.6711 174.2086
197.1532 175.8677
197.6353 176.1512
198.1174 173.9590
198.5995 171.5446
199.0816 170.3442
199.5638 170.1548
200.0459 169.6302
200.5280 167.9169
201.0101 165.2401
201.4922 162.5853
201.9743 160.1100
202.4565 157.5237
202.9386 154.5144
203.4207 151.0670
203.9028 147.6067
204.3849 144.6673
204.8670 141.7474
205.3492 138.0868
205.8313 133.2458
206.3134 128.0145
206.7955 123.3945
207.2776 119.4813
207.7597 115.7431
208.2419 112.4257
208.7240 108.9668
209.2061 104.6548
209.6882 99.66168
210.1703 94.15582
210.6524 89.55408
211.1346 86.15460
211.6167 82.99683
212.0988 79.78131
212.5809 76.63544
213.0630 73.74335
213.5451 71.25061
214.0273 68.84399
214.5094 65.75934
214.9915 61.46063
215.4736 57.44617
215.9557 54.35803
216.4378 51.49329
216.9200 47.98755
217.4021 43.44757
217.8842 38.38892
218.3663 34.36871
218.8484 32.41351
219.3305 30.08472
219.8127 26.70441
220.2948 22.98590
220.7769 19.57257
221.2590 16.75885
221.7411 14.56335
222.2232 13.09222
222.7054 14.10968
223.1875 13.69672
223.6696 10.70007
224.1517 6.498352
224.6338 2.429260
225.1159 0.9097290
225.5980 3.410522
226.0802 4.859924
226.5623 4.209595
227.0444 3.920776
227.5265 4.421570
228.0086 5.395142
228.4907 6.429260
228.9729 7.340210
229.4550 8.045227
229.9371 8.236755
230.4192 7.753845
230.9013 7.071594
231.3834 5.886353
231.8656 4.629822
232.3477 4.064026
232.8298 4.557129
233.3119 5.554871
233.7940 5.937744
234.2761 5.965942
234.7583 5.045288
235.2404 2.158630
235.7225 1.647644
236.2046 4.449829
236.6867 5.464844
237.1688 5.652100
237.6510 6.857605
238.1331 9.320618
238.6152 11.20245
239.0973 10.96210
239.5794 9.755920
240.0615 10.24249
240.5437 13.51587
241.0258 17.90027
241.5079 21.25415
241.9900 23.63666
242.4721 25.75574
242.9542 27.90143
243.4364 30.00256
243.9185 31.71063
244.4006 32.58643
244.8827 33.78027
245.3648 36.65967
245.8469 41.00305
246.3290 45.34058
246.8112 49.03003
247.2933 52.15601
247.7754 54.91058
248.2575 56.91162
248.7396 59.23682
249.2217 63.05200
249.7039 67.93365
250.1860 72.41620
250.6681 75.45575
251.1502 77.41370
251.6323 79.63794
252.1144 82.09808
252.5966 84.99274
253.0787 88.77710
253.5608 93.03290
254.0429 96.81799
254.5250 99.04108
255.0071 100.3326
255.4893 103.3973
255.9714 109.5670
256.4535 115.3841
256.9356 119.3323
257.4177 121.9593
257.8998 124.1247
258.3820 126.1643
258.8641 128.1257
259.3462 130.1107
259.8283 131.7829
260.3104 134.1002
260.7925 137.9813
261.2747 142.4244
261.7568 146.0292
262.2389 148.0013
262.7210 148.9282
263.2031 150.6437
263.6852 154.0248
264.1674 156.6612
264.6495 157.6581
265.1316 157.8862
265.6137 158.2917
266.0958 159.2971
266.5779 160.5552
267.0601 161.2499
267.5422 161.2405
268.0243 160.8433
268.5064 160.3784
268.9885 159.4968
269.4706 157.8002
269.9528 155.1636
270.4349 151.9351
270.9170 148.7885
271.3991 146.0049
271.8812 142.7560
272.3633 138.9941
272.8455 134.8430
273.3276 130.3704
273.8097 125.5993
274.2918 120.6036
274.7739 115.4313
275.2560 109.7761
275.7382 104.6166
276.2202 100.1003
276.7024 95.84161
277.1845 91.57922
277.6666 87.26855
278.1487 83.03687
278.6308 79.02643
279.1129 75.26294
279.5951 71.63812
280.0772 67.67499
280.5593 64.21301
281.0414 62.00769
281.5235 60.82910
282.0056 59.66357
282.4878 57.44153
282.9699 53.75714
283.4520 51.15472
283.9341 50.08594
284.4162 49.68927
284.8983 49.25061
285.3805 49.03925
285.8626 50.06378
286.3447 53.32483
286.8268 58.76001
287.3089 62.69891
287.7910 63.77325
288.2732 65.05554
288.7553 67.01788
289.2374 69.87646
289.7195 73.85406
290.2016 79.07501
290.6837 85.31268
291.1659 91.85968
291.6480 99.26300
292.1301 106.3866
292.6122 112.8984
293.0943 119.2446
293.5764 125.7275
294.0586 132.4374
294.5407 139.4178
295.0228 146.8411
295.5049 155.0754
295.9870 163.3593
296.4691 171.5413
296.9513 179.8018
297.4334 188.2438
297.9155 196.8831
298.3976 205.9606
298.8797 215.9337
299.3618 227.9031
299.8440 238.6621
300.3261 246.7538
300.8082 254.4949
301.2903 264.1053
301.7724 275.8405
302.2545 288.1327
302.7367 299.1639
303.2188 308.3948
303.7009 318.2637
304.1830 329.1749
304.6651 340.3572
305.1472 351.4674
305.6294 362.4272
306.1115 373.2443
306.5936 383.9788
307.0757 394.6940
307.5578 404.3848
308.0399 413.2955
308.5221 421.1827
309.0042 427.6318
309.4863 432.9365
309.9684 438.0170
310.4505 443.7125
310.9326 449.4865
311.4148 451.1501
311.8969 446.6155
312.3790 441.1265
312.8611 435.7632
313.3432 430.2892
313.8253 424.3168
314.3075 417.7443
314.7896 410.4073
315.2717 401.6296
315.7538 390.3219
316.2359 378.8043
316.7180 366.8147
317.2001 355.0349
317.6823 344.4317
318.1644 335.2252
318.6465 326.5531
319.1286 316.9703
319.6107 305.6110
320.0928 295.7764
320.5750 287.5947
321.0571 280.4783
321.5392 274.1972
322.0213 268.8004
322.5034 264.2432
322.9855 260.5661
323.4677 257.8560
323.9498 254.4748
324.4319 249.2569
324.9140 244.5390
325.3961 241.5717
325.8782 240.1226
326.3604 239.2732
326.8425 238.4664
327.3246 237.6980
327.8067 236.7734
328.2888 234.9890
328.7709 233.9138
329.2531 234.1595
329.7352 235.3551
330.2173 237.0287
330.6994 238.9678
331.1815 240.9027
331.6636 242.2101
332.1458 242.3373
332.6279 242.6574
333.1100 243.1274
333.5921 243.7836
334.0742 244.5886
334.5563 245.5933
335.0385 247.0782
335.5206 249.4383
336.0027 253.1099
336.4848 256.2386
336.9669 259.0746
337.4490 261.4203
337.9312 263.1889
338.4133 264.2327
338.8954 264.2335
339.3775 262.8328
339.8596 259.9536
340.3417 258.0097
340.8239 258.1599
341.3060 257.9204
341.7881 256.6654
342.2702 254.3298
342.7523 250.9408
343.2344 246.5135
343.7166 241.1143
344.1987 235.1063
344.6808 227.8520
345.1629 220.6465
345.6450 214.4497
346.1271 208.0650
346.6093 199.7798
347.0914 189.1090
347.5735 177.3959
348.0556 167.5798
348.5377 161.9185
349.0198 153.9142
349.5020 141.9376
349.9841 129.1770
350.4662 117.7603
350.9483 107.9935
351.4304 98.95789
351.9125 89.69501
352.3947 80.06317
352.8768 71.28217
353.3589 63.26501
353.8410 56.18622
354.3231 50.49969
354.8052 45.82172
355.2874 41.31659
355.7695 36.38196
356.2516 31.24188
356.7337 27.10010
357.2158 24.89417
357.6979 22.45758
358.1800 19.00555
358.6621 15.29559
359.1443 12.23322
359.6264 10.14423
360.1085 8.609436
360.5906 6.755493
361.0727 4.165527
361.5548 2.382935
362.0370 2.018250
362.5191 2.107239
363.0012 2.179749
363.4833 2.134521
363.9654 2.026062
364.4475 1.774597
364.9297 1.336548
365.4118 1.532043
365.8939 3.501709
366.3760 4.822998
366.8581 3.974670
367.3402 1.801025
367.8224 8.4656000E-02
368.3045 9.1549996E-03
368.7866 1.001038
369.2687 1.328003
369.7508 0.6645510
370.2329 4.8950002E-02
370.7151 7.4340999E-02
371.1972 0.2050170
371.6793 0.2919920
372.1614 1.712219
372.6435 3.042358
373.1256 2.705261
373.6078 0.5350950
374.0899 0.9349980
374.5720 0.8643800
375.0541 0.1514280
375.5362 0.6227420
376.0183 1.429260
376.5005 2.259644
376.9826 3.487976
377.4647 4.798950
377.9468 4.778137
378.4289 2.658691
378.9110 0.7351070
379.3932 0.9774780
379.8753 2.474243
380.3574 3.534485
380.8395 3.494446
381.3216 2.920593
381.8037 2.454346
382.2859 2.098938
382.7680 1.687683
383.2501 1.075073
383.7322 0.4117430
384.2143 9.8693997E-02
384.6964 0.4755860
385.1786 0.6356200
385.6607 0.4204100
386.1428 4.2479999E-02
386.6249 0.4665530
387.1070 0.8234250
387.5891 0.9993290
388.0713 0.6213990
388.5534 0.2485350
389.0355 0.5760500
389.5176 0.2783810
389.9997 1.501038
390.4818 2.252502
390.9640 2.513855
391.4461 2.803192
391.9282 3.594055
392.4103 4.683472
392.8924 5.042297
393.3745 3.945892
393.8567 2.985626
394.3388 3.227356
394.8209 3.999359
395.3030 3.976318
395.7851 2.653595
396.2672 0.4328920
396.7494 2.128326
397.2315 5.612915
397.7136 7.931244
398.1957 7.958313
398.6778 7.486298
399.1599 7.912445
399.6420 9.393982
400.1241 11.44235
400.6063 13.68463
401.0884 16.13806
401.5705 18.39407
402.0526 20.27917
402.5347 22.19742
403.0168 24.37598
403.4990 26.65607
403.9811 28.70551
404.4632 30.35574
404.9453 31.85120
405.4274 33.77679
405.9095 36.28049
406.3917 39.00745
406.8738 42.35349
407.3559 45.59558
407.8380 47.89420
408.3201 49.36646
408.8022 51.11697
409.2844 54.33215
409.7665 59.08865
410.2486 63.96057
410.7307 69.88943
411.2128 74.82532
411.6949 77.39420
412.1771 78.72940
412.6592 80.55411
413.1413 83.66547
413.6234 87.89398
414.1055 93.21216
414.5876 100.3412
415.0698 106.4124
415.5519 109.3724
416.0340 111.9443
416.5161 116.1805
416.9982 122.2694
417.4803 128.4941
417.9625 133.3298
418.4446 136.9756
418.9267 140.8591
419.4088 144.9179
419.8909 149.4962
420.3730 155.2364
420.8552 161.5757
421.3373 167.2832
421.8194 171.6353
422.3015 175.4987
422.7836 180.0411
423.2657 185.2409
423.7479 190.0032
424.2300 193.7949
424.7121 196.9706
425.1942 200.2315
425.6763 203.6697
426.1584 206.7127
426.6406 208.6891
427.1227 210.2392
427.6048 212.5818
428.0869 215.9838
428.5690 219.4811
429.0511 222.2818
429.5333 224.3178
430.0154 225.8113
430.4975 227.3481
430.9796 227.8495
431.4617 226.0295
431.9438 222.6216
432.4260 219.6985
432.9081 218.2898
433.3902 217.7808
433.8723 216.7932
434.3544 215.1211
434.8365 213.2342
435.3187 211.2101
435.8008 208.9960
436.2829 206.5908
436.7650 203.9771
437.2471 201.1591
437.7292 198.1760
438.2114 195.0339
438.6935 191.8221
439.1756 187.7257
439.6577 184.5359
440.1398 183.3401
440.6219 183.0916
441.1040 182.3218
441.5862 180.4194
442.0683 178.1212
442.5504 176.8951
443.0325 177.1842
443.5146 177.1195
443.9967 176.2465
444.4789 175.2141
444.9610 174.1083
445.4431 173.1140
445.9252 172.6694
446.4073 173.2202
446.8894 174.5353
447.3716 175.9167
447.8537 177.5374
448.3358 178.7080
448.8179 178.5552
449.3000 178.1346
449.7821 178.6656
450.2643 180.5196
450.7464 182.3875
451.2285 182.6339
451.7106 181.7328
452.1927 182.4497
452.6748 185.8031
453.1570 189.8684
453.6391 192.6959
454.1212 194.7128
454.6033 197.2379
455.0854 200.5221
455.5675 204.0616
456.0497 207.4570
456.5318 210.8077
457.0139 214.5809
457.4960 219.1376
457.9781 224.0852
458.4602 228.3362
458.9424 231.5300
459.4245 234.7717
459.9066 238.2482
460.3887 241.9980
460.8708 246.0452
461.3529 250.3599
461.8351 254.8320
462.3172 259.4090
462.7993 264.0830
463.2814 268.5104
463.7635 272.5218
464.2456 276.5214
464.7278 280.5905
465.2099 284.6997
465.6920 288.7942
466.1741 292.8712
466.6562 296.9310
467.1383 301.0718
467.6205 305.5755
468.1026 309.3781
468.5847 312.4041
469.0668 314.7377
469.5489 316.1532
470.0310 316.8649
470.5132 317.4007
470.9953 318.1778
471.4774 318.9248
471.9595 319.0124
472.4416 318.4991
472.9237 317.1331
473.4059 314.7787
473.8880 311.4987
474.3701 307.2968
474.8522 302.1977
475.3343 296.2428
475.8164 289.2599
476.2986 281.4958
476.7807 273.5093
477.2628 265.4493
477.7449 256.8598
478.2270 247.0638
478.7091 236.3882
479.1913 226.4009
479.6734 217.7718
480.1555 209.2012
480.6376 200.0382
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