#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:10 +0300 (Thu, 26 Apr 2018) $
#$Revision: 495 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000050.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_1000050
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 Local Pb-_ disorder in the crystal structure of jamesite,
 Pb2ZnFe2(Fe2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O.8], and revision of the
 chemical formula
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              53
_journal_page_last               60
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        R060274
_chemical_formula_sum            'As4 Fe4.8 H10 O26 Pb4 Zn2.2'
_chemical_name_mineral           Jamesite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.81
_cell_angle_beta                 90.57
_cell_angle_gamma                97.71
_cell_length_a                   5.583
_cell_length_b                   9.542
_cell_length_c                   10.219
_cell_volume                     506.653
_exptl_crystal_density_diffrn    6.445
_cod_original_formula_sum        'Pb4 As4 Zn2.2 Fe4.8 O26 H10'
_cod_database_code               9004515
_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            R060274.rod
_rod_data_source.block           3500000
_rod_database.code               1000050
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 9004515 COD http://www.crystallography.net/cod/9004515.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
178.3142 0.0000000E+00
178.7963 0.2268070
179.2784 1.600342
179.7606 3.459351
180.2427 5.242188
180.7248 3.276123
181.2069 0.8727420
181.6890 0.4647830
182.1711 0.6354370
182.6533 7.7941999E-02
183.1354 1.828735
183.6175 4.840149
184.0996 7.055176
184.5817 6.701965
185.0638 6.179504
185.5460 7.132202
186.0281 9.870300
186.5102 13.06177
186.9923 14.84589
187.4744 14.82733
187.9565 14.34351
188.4387 12.10474
188.9208 10.38129
189.4029 11.42981
189.8850 15.79639
190.3671 21.43610
190.8492 24.39764
191.3314 22.45886
191.8135 21.24109
192.2956 21.27441
192.7777 21.99164
193.2598 22.98999
193.7419 24.09576
194.2241 25.25116
194.7062 26.31995
195.1883 27.72388
195.6704 28.48608
196.1525 28.14417
196.6346 27.29205
197.1168 26.66882
197.5989 26.60828
198.0810 26.82220
198.5631 26.44617
199.0452 24.90271
199.5273 23.57214
200.0095 22.98743
200.4916 22.71265
200.9737 21.98157
201.4558 20.38776
201.9379 18.24133
202.4200 16.37213
202.9022 14.75397
203.3843 13.37585
203.8664 12.39844
204.3485 11.68152
204.8306 10.80743
205.3127 9.499634
205.7949 8.043274
206.2770 7.087769
206.7591 6.813110
207.2412 6.580444
207.7233 5.918213
208.2054 4.912292
208.6876 4.140991
209.1697 3.947449
209.6518 4.041199
210.1339 3.884277
210.6160 3.297546
211.0981 2.931091
211.5803 3.595337
212.0624 5.295715
212.5445 6.524414
213.0266 6.069641
213.5087 5.330078
213.9908 5.634155
214.4730 7.254089
214.9551 9.487244
215.4372 11.68842
215.9193 13.89435
216.4014 15.89124
216.8836 17.43140
217.3657 18.84326
217.8478 20.22552
218.3299 21.58411
218.8120 23.17737
219.2941 25.62640
219.7763 29.48700
220.2584 32.31134
220.7405 33.09503
221.2226 33.11652
221.7047 32.96375
222.1868 32.84058
222.6690 33.04596
223.1511 34.17633
223.6332 36.79834
224.1153 39.07416
224.5974 40.88287
225.0795 42.31329
225.5617 43.34644
226.0438 44.00171
226.5259 44.43036
227.0080 44.91205
227.4901 45.64624
227.9722 46.04810
228.4544 45.87628
228.9365 45.55878
229.4186 45.35767
229.9007 45.37238
230.3828 45.62714
230.8649 46.17645
231.3471 47.16882
231.8292 48.26056
232.3113 49.46863
232.7934 50.74994
233.2755 52.09003
233.7576 53.47406
234.2398 54.88239
234.7219 56.28235
235.2040 57.80847
235.6861 59.03961
236.1682 59.75385
236.6503 60.25903
237.1325 60.75952
237.6146 61.30493
238.0967 61.75323
238.5788 61.85693
239.0609 61.28357
239.5430 61.14899
240.0252 62.13110
240.5073 63.30975
240.9894 63.59833
241.4715 62.74597
241.9536 61.50726
242.4357 60.77307
242.9179 60.51532
243.4000 61.03137
243.8821 63.72571
244.3642 66.62518
244.8463 67.25244
245.3284 65.01953
245.8106 61.86322
246.2927 59.94214
246.7748 59.27704
247.2569 59.02209
247.7390 59.35541
248.2211 60.02576
248.7033 60.89880
249.1854 61.99634
249.6675 62.59064
250.1496 61.32794
250.6317 58.55212
251.1138 56.91461
251.5960 57.97589
252.0781 60.00943
252.5602 60.57764
253.0423 59.25278
253.5244 57.81656
254.0065 58.09799
254.4887 59.54135
254.9708 60.65753
255.4529 60.72952
255.9350 60.39978
256.4171 60.67670
256.8992 61.71002
257.3813 62.54227
257.8635 62.37076
258.3456 61.61417
258.8277 60.81671
259.3098 59.91333
259.7919 59.21155
260.2740 59.34021
260.7562 60.53119
261.2383 61.67441
261.7204 62.02704
262.2025 61.97232
262.6846 61.94128
263.1667 62.06641
263.6489 62.25055
264.1310 62.20334
264.6131 61.74881
265.0952 61.83200
265.5773 63.85519
266.0594 66.24982
266.5416 67.28320
267.0237 66.12097
267.5058 64.47403
267.9879 64.83093
268.4700 67.64795
268.9521 70.38370
269.4343 72.11304
269.9164 73.45459
270.3985 74.85217
270.8806 76.42618
271.3627 77.93771
271.8448 78.99457
272.3270 79.47052
272.8091 80.15558
273.2912 80.93762
273.7733 82.19360
274.2554 84.50793
274.7375 87.93103
275.2197 91.39301
275.7018 93.73434
276.1839 94.84033
276.6660 95.50964
277.1481 95.07608
277.6302 94.77667
278.1124 95.54831
278.5945 97.29910
279.0766 98.91458
279.5587 99.09344
280.0408 97.62805
280.5229 96.63275
281.0051 96.40485
281.4872 96.53516
281.9693 97.28403
282.4514 98.36136
282.9335 98.94550
283.4156 98.12402
283.8978 95.85635
284.3799 94.12433
284.8620 93.78281
285.3441 93.12033
285.8262 91.33194
286.3083 88.75482
286.7905 86.17615
287.2726 84.19263
287.7547 82.72287
288.2368 81.06293
288.7189 79.41827
289.2010 77.26761
289.6832 74.07227
290.1653 70.39667
290.6474 67.11545
291.1295 64.82782
291.6116 63.19217
292.0938 60.82907
292.5759 57.40625
293.0580 53.66620
293.5401 49.46085
294.0222 45.16568
294.5043 41.14261
294.9865 37.53897
295.4686 34.42194
295.9507 32.04419
296.4328 31.03033
296.9149 29.65906
297.3970 27.84903
297.8792 25.58777
298.3613 22.64966
298.8434 19.01880
299.3255 15.27921
299.8076 12.47269
300.2897 11.11945
300.7719 9.536316
301.2540 7.135406
301.7361 4.869476
302.2182 3.406799
302.7003 2.814789
303.1824 2.595520
303.6646 2.226868
304.1467 1.793549
304.6288 0.8777160
305.1109 1.182709
305.5930 3.132477
306.0751 4.393707
306.5573 4.980957
307.0394 5.213867
307.5215 5.359283
308.0036 5.422150
308.4857 5.357330
308.9678 4.884613
309.4500 4.558899
309.9321 4.600433
310.4142 4.916016
310.8963 5.309113
311.3784 5.666107
311.8605 5.979462
312.3427 6.193756
312.8248 6.744232
313.3069 6.623871
313.7890 5.418518
314.2711 3.523499
314.7532 1.308167
315.2354 1.065704
315.7175 3.395050
316.1996 4.957611
316.6817 4.648224
317.1638 5.387024
317.6459 8.348999
318.1281 11.91626
318.6102 14.43011
319.0923 15.42838
319.5744 15.99075
320.0565 17.99500
320.5386 22.21811
321.0208 26.11356
321.5029 29.41125
321.9850 32.52264
322.4671 35.83652
322.9492 39.32806
323.4313 42.53290
323.9135 44.77902
324.3956 45.67969
324.8777 47.59311
325.3598 51.50842
325.8419 55.52219
326.3240 59.06296
326.8062 62.10294
327.2883 64.85193
327.7704 67.49274
328.2525 70.00919
328.7346 72.17120
329.2167 73.48929
329.6989 75.01855
330.1810 77.49127
330.6631 80.23792
331.1452 82.23895
331.6273 82.92279
332.1094 82.60699
332.5916 82.05365
333.0737 79.98999
333.5558 80.05353
334.0379 84.63812
334.5200 90.37198
335.0021 93.99179
335.4843 94.47293
335.9664 93.31573
336.4485 92.78268
336.9306 92.92813
337.4127 93.55115
337.8948 94.45996
338.3770 95.93576
338.8591 98.48465
339.3412 101.9791
339.8233 105.5183
340.3055 108.3092
340.7876 110.3295
341.2697 111.6939
341.7518 111.4592
342.2339 111.4698
342.7160 112.5752
343.1982 114.5099
343.6803 116.5734
344.1624 118.3728
344.6445 119.9085
345.1266 121.1268
345.6087 121.7399
346.0909 122.5115
346.5730 123.5630
347.0551 124.9325
347.5372 126.8292
348.0193 129.5047
348.5014 132.2293
348.9836 133.6094
349.4657 133.3080
349.9478 132.7682
350.4299 131.8798
350.9120 131.1906
351.3941 131.2523
351.8763 132.1495
352.3584 133.2499
352.8405 133.8323
353.3226 133.8762
353.8047 134.2622
354.2868 135.8770
354.7690 137.0103
355.2511 136.0717
355.7332 133.5474
356.2153 131.5549
356.6974 131.7984
357.1795 133.7321
357.6617 135.3082
358.1438 136.5916
358.6259 137.2964
359.1080 136.9647
359.5901 136.0060
360.0722 135.0509
360.5544 134.3137
361.0365 133.7383
361.5186 133.1385
362.0007 132.4662
362.4828 132.1722
362.9649 133.0641
363.4471 133.9322
363.9292 133.3514
364.4113 131.0103
364.8934 128.1925
365.3755 125.6040
365.8576 123.2921
366.3398 121.6009
366.8219 120.9545
367.3040 120.4849
367.7861 119.1050
368.2682 116.9010
368.7503 114.9534
369.2325 113.9800
369.7146 113.4556
370.1967 112.4850
370.6788 110.9376
371.1609 109.1496
371.6430 107.2415
372.1252 105.3721
372.6073 103.9821
373.0894 103.9651
373.5715 103.7122
374.0536 101.3720
374.5357 97.33435
375.0179 94.18521
375.5000 93.45352
375.9821 94.17432
376.4642 94.04886
376.9463 92.76208
377.4284 91.49670
377.9106 90.82217
378.3927 90.42853
378.8748 89.93054
379.3569 89.27872
379.8390 88.07233
380.3211 85.44067
380.8033 80.93219
381.2854 77.80670
381.7675 77.49240
382.2496 77.80228
382.7317 77.00180
383.2138 75.04358
383.6960 72.89136
384.1781 71.29654
384.6602 70.18747
385.1423 68.40463
385.6244 65.75571
386.1065 62.78384
386.5887 59.25812
387.0708 55.69000
387.5529 52.90430
388.0350 51.28091
388.5171 50.36557
388.9992 49.14340
389.4814 47.51657
389.9635 45.49924
390.4456 42.79361
390.9277 39.91220
391.4098 37.43277
391.8919 35.39459
392.3741 33.17157
392.8562 30.01514
393.3383 25.71335
393.8204 22.19601
394.3025 19.66653
394.7846 17.65427
395.2668 16.05756
395.7489 14.85675
396.2310 14.13522
396.7131 13.98062
397.1952 14.13745
397.6773 13.82535
398.1595 12.88132
398.6416 11.71735
399.1237 10.11606
399.6058 8.509064
400.0879 7.212158
400.5700 6.314453
401.0522 5.780090
401.5343 5.731140
402.0164 6.341675
402.4985 6.379974
402.9806 4.870911
403.4627 3.666748
403.9449 3.950623
404.4270 5.219177
404.9091 6.085846
405.3912 5.512756
405.8733 4.004272
406.3554 3.119415
406.8376 2.934875
407.3197 3.172668
407.8018 4.072083
408.2839 5.167206
408.7660 5.969147
409.2481 6.339874
409.7303 6.563843
410.2124 7.012085
410.6945 7.651825
411.1766 7.911438
411.6587 7.433746
412.1408 6.843597
412.6230 6.592133
413.1051 6.685150
413.5872 7.251160
414.0693 8.757935
414.5514 10.61853
415.0335 11.82437
415.5157 12.27072
415.9978 12.61490
416.4799 13.33340
416.9620 14.25217
417.4441 14.84497
417.9262 14.96982
418.4084 14.92761
418.8905 14.57990
419.3726 14.18460
419.8547 14.57019
420.3368 16.16556
420.8189 18.16055
421.3011 19.19403
421.7832 19.02777
422.2653 18.99066
422.7474 19.10855
423.2295 19.49216
423.7116 20.49576
424.1938 22.00040
424.6759 23.23459
425.1580 23.57840
425.6401 23.07419
426.1222 22.48578
426.6043 20.99487
427.0865 20.37164
427.5686 22.05475
428.0507 24.55252
428.5328 25.68622
429.0149 24.63736
429.4970 22.42337
429.9792 20.77588
430.4613 19.76752
430.9434 19.19815
431.4255 19.47925
431.9076 19.75775
432.3897 19.54791
432.8719 18.88437
433.3540 18.10959
433.8361 17.57312
434.3182 17.15234
434.8003 15.80173
435.2824 12.46460
435.7646 9.855652
436.2467 9.046448
436.7288 9.026917
437.2109 8.733276
437.6930 7.829071
438.1751 6.780457
438.6573 6.174957
439.1394 6.042267
439.6215 5.987274
440.1036 6.358856
440.5857 6.312775
441.0678 4.945313
441.5500 2.631805
442.0321 0.8006590
442.5142 0.6935420
442.9963 1.310425
443.4784 0.5603940
443.9605 1.784363
444.4427 3.694916
444.9248 3.743317
445.4069 2.926239
445.8890 3.172180
446.3711 5.162964
446.8532 6.534210
447.3354 4.933441
447.8175 1.886047
448.2996 1.112427
448.7817 3.700714
449.2638 6.916168
449.7459 7.739929
450.2281 5.989136
450.7102 4.613708
451.1923 3.949066
451.6744 3.483887
452.1565 2.945892
452.6386 2.343079
453.1208 1.850952
453.6029 1.623932
454.0850 1.360138
454.5671 0.2057500
455.0492 3.439728
455.5313 5.772430
456.0135 5.622559
456.4956 4.905243
456.9777 4.998962
457.4598 6.163300
457.9419 8.074341
458.4240 10.52457
458.9062 13.52292
459.3883 16.28271
459.8704 18.42020
460.3525 20.76730
460.8346 23.63657
461.3167 26.76715
461.7989 29.78027
462.2810 32.53757
462.7631 35.28842
463.2452 38.53888
463.7273 42.43802
464.2094 45.90768
464.6916 48.04797
465.1737 50.46451
465.6558 54.28851
466.1379 59.22729
466.6200 64.16068
467.1021 68.42990
467.5843 72.32086
468.0664 76.24353
468.5485 80.14645
469.0306 84.57501
469.5127 90.05078
469.9948 96.07162
470.4770 101.7504
470.9591 106.9882
471.4412 112.1601
471.9233 117.2486
472.4054 122.4577
472.8875 128.2279
473.3697 134.6682
473.8518 141.2545
474.3339 147.6172
474.8160 153.7077
475.2981 159.2943
475.7802 164.0645
476.2624 168.6547
476.7445 173.0491
477.2266 177.5320
477.7087 182.6802
478.1908 188.7639
478.6729 195.2795
479.1551 201.3331
479.6372 206.9198
480.1193 212.0146
480.6014 216.8880
481.0835 221.1200
481.5656 223.7945
482.0478 225.5698
482.5299 228.2018
483.0120 232.9777
483.4941 239.2145
483.9762 244.2263
484.4583 247.6998
484.9405 250.5388
485.4226 252.6442
485.9047 254.4460
486.3868 256.0069
486.8689 257.4390
487.3510 259.3546
487.8332 263.1851
488.3153 268.1745
488.7974 270.2517
489.2795 268.1295
489.7616 265.8997
490.2437 265.9016
490.7259 267.4493
491.2080 269.8696
491.6901 273.7137
492.1722 277.0724
492.6543 278.0540
493.1364 277.4171
493.6186 277.4610
494.1007 278.8777
494.5828 280.5983
495.0649 281.3448
495.5470 280.9973
496.0291 280.9790
496.5113 281.5196
496.9934 282.2270
497.4755 282.8660
497.9576 283.4881
498.4397 284.2749
498.9218 285.3227
499.4040 286.5133
499.8861 287.5595
500.3682 288.2495
500.8503 289.1802
501.3324 290.8142
501.8145 292.2096
502.2967 292.5598
502.7788 292.2664
503.2609 292.2089
503.7430 292.9130
504.2251 294.2628
504.7072 296.1363
505.1894 299.1732
505.6715 301.6450
506.1536 302.5369
506.6357 302.7914
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1285.254 1.485340
1285.736 0.0000000E+00
