#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:17 +0300 (Thu, 24 May 2018) $
#$Revision: 718 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000224.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_1000224
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 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            R060274.rod
_rod_data_source.block           3500000
_rod_database.code               1000224
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
176.7911 0.0000000E+00
177.2732 2.656555
177.7553 4.328827
178.2374 3.742493
178.7195 2.635132
179.2017 1.126373
179.6838 0.1481930
180.1659 0.3678890
180.6480 0.5027160
181.1301 0.3078920
181.6122 0.1479190
182.0944 0.9553530
182.5765 1.912262
183.0586 2.711151
183.5407 3.328552
184.0228 3.909729
184.5049 4.479828
184.9871 5.084808
185.4692 5.876770
185.9513 7.069672
186.4334 8.419708
186.9155 9.195313
187.3976 9.323700
187.8798 9.651581
188.3619 11.48660
188.8440 14.54947
189.3261 16.88040
189.8082 17.41470
190.2903 16.73282
190.7725 16.98788
191.2546 18.28067
191.7367 19.99426
192.2188 21.32675
192.7009 22.32834
193.1830 23.79730
193.6652 26.56198
194.1473 30.24915
194.6294 32.13971
195.1115 31.96576
195.5936 30.90863
196.0757 30.24564
196.5579 29.96417
197.0400 30.35861
197.5221 31.86435
198.0042 34.37314
198.4863 36.30966
198.9684 37.61435
199.4506 38.46271
199.9327 39.05933
200.4148 39.40170
200.8969 39.55600
201.3790 39.44110
201.8611 39.03735
202.3433 38.92050
202.8254 39.12698
203.3075 39.54840
203.7896 40.13071
204.2717 40.97604
204.7538 41.45615
205.2360 41.04953
205.7181 39.57095
206.2002 38.90253
206.6823 39.18262
207.1644 40.09799
207.6465 41.17175
208.1287 42.47470
208.6108 43.66757
209.0929 44.64896
209.5750 45.45914
210.0571 45.81451
210.5392 45.51169
211.0214 44.95752
211.5035 45.08237
211.9856 46.14758
212.4677 47.18524
212.9498 47.73209
213.4319 47.66095
213.9140 47.61081
214.3962 47.51706
214.8783 47.49106
215.3604 47.81744
215.8425 48.59592
216.3246 49.50330
216.8067 50.47449
217.2889 51.63489
217.7710 52.35757
218.2531 52.60016
218.7352 52.40900
219.2173 51.72427
219.6994 49.95047
220.1816 48.79956
220.6637 49.25705
221.1458 52.20792
221.6279 54.23407
222.1100 55.23624
222.5921 55.32962
223.0743 54.72632
223.5564 53.14731
224.0385 51.38925
224.5206 49.83456
225.0027 48.47586
225.4848 47.28119
225.9670 46.21558
226.4491 45.34207
226.9312 44.88647
227.4133 45.21033
227.8954 45.36978
228.3775 44.85373
228.8597 43.20181
229.3418 42.01041
229.8239 41.65359
230.3060 41.65488
230.7881 40.63345
231.2702 37.90112
231.7524 35.13596
232.2345 33.09201
232.7166 31.83536
233.1987 31.10184
233.6808 31.24863
234.1629 31.82538
234.6451 31.45862
235.1272 29.84912
235.6093 28.05960
236.0914 26.58377
236.5735 25.68478
237.0556 24.45743
237.5378 22.44980
238.0199 20.24234
238.5020 19.52057
238.9841 21.57626
239.4662 23.21561
239.9483 22.91995
240.4305 19.56281
240.9126 16.86356
241.3947 14.57846
241.8768 13.01413
242.3589 13.16312
242.8410 16.29770
243.3232 19.17776
243.8053 20.32101
244.2874 18.83884
244.7695 17.73743
245.2516 17.01495
245.7337 16.66113
246.2159 16.70251
246.6980 17.37692
247.1801 18.07864
247.6622 18.59888
248.1443 18.94479
248.6264 19.05862
249.1086 18.71619
249.5907 18.25394
250.0728 18.39755
250.5549 19.41833
251.0370 20.58682
251.5191 21.64105
252.0013 22.54291
252.4834 23.55270
252.9655 25.05756
253.4476 26.41159
253.9297 26.14386
254.4118 22.98251
254.8940 20.77942
255.3761 21.12598
255.8582 24.80139
256.3403 27.65289
256.8224 29.44244
257.3046 30.42401
257.7867 30.83987
258.2688 30.47052
258.7509 30.70963
259.2330 31.99274
259.7151 34.52374
260.1973 36.01257
260.6794 36.21948
261.1615 35.95853
261.6436 36.30054
262.1257 37.24545
262.6078 38.48123
263.0900 40.01971
263.5721 41.95734
264.0542 43.53519
264.5363 44.81650
265.0184 45.73596
265.5005 46.07410
265.9827 45.48563
266.4648 45.32877
266.9469 46.14462
267.4290 47.95142
267.9111 49.20761
268.3932 49.62170
268.8754 49.92444
269.3575 51.09775
269.8396 53.53622
270.3217 55.41806
270.8038 56.18604
271.2859 55.90503
271.7681 55.55090
272.2502 54.83459
272.7323 54.64459
273.2144 56.30081
273.6965 60.30780
274.1786 63.41162
274.6608 64.66507
275.1429 64.37781
275.6250 64.81979
276.1071 66.17514
276.5892 67.73752
277.0714 68.95239
277.5535 69.84827
278.0356 70.13626
278.5177 69.44946
278.9998 68.19400
279.4819 68.22134
279.9641 69.78198
280.4462 71.58853
280.9283 72.56287
281.4104 72.67050
281.8925 72.95334
282.3746 73.66599
282.8568 74.58185
283.3389 75.05789
283.8210 75.06860
284.3031 74.82303
284.7852 74.37405
285.2673 73.73779
285.7495 73.21179
286.2316 72.91095
286.7137 72.60892
287.1958 71.78970
287.6779 70.43726
288.1600 68.93185
288.6422 67.53076
289.1243 66.18216
289.6064 64.60941
290.0885 62.70221
290.5706 60.72894
291.0527 59.32843
291.5349 58.44313
292.0170 57.17305
292.4991 54.72258
292.9812 51.44235
293.4633 48.64523
293.9454 46.38123
294.4276 44.60043
294.9097 43.57458
295.3918 43.13562
295.8739 42.41440
296.3560 40.78746
296.8381 38.59698
297.3203 36.75307
297.8024 35.32248
298.2845 33.85001
298.7666 31.42276
299.2487 28.49074
299.7308 26.37003
300.2130 26.52245
300.6951 27.47507
301.1772 26.59573
301.6593 23.90109
302.1414 20.94356
302.6235 19.25279
303.1057 18.29204
303.5878 17.00427
304.0699 14.62840
304.5520 12.06058
305.0341 10.26613
305.5162 9.218628
305.9984 8.637650
306.4805 8.762299
306.9626 9.124451
307.4447 9.077133
307.9268 8.397858
308.4089 7.304718
308.8911 5.709015
309.3732 3.759567
309.8553 2.076187
310.3374 1.341812
310.8195 0.9005430
311.3016 2.3375999E-02
311.7838 1.749725
312.2659 3.316010
312.7480 4.092453
313.2301 4.102463
313.7122 3.438675
314.1943 0.5137790
314.6765 2.038132
315.1586 1.840729
315.6407 2.400101
316.1228 5.965485
316.6049 5.774460
317.0870 3.523697
317.5692 2.009109
318.0513 3.244949
318.5334 4.623428
319.0155 4.832901
319.4976 3.640930
319.9797 2.232849
320.4619 0.6641690
320.9440 0.8005370
321.4261 1.849197
321.9082 2.158066
322.3903 2.290619
322.8724 2.332764
323.3546 2.288818
323.8367 2.392746
324.3188 2.539871
324.8009 2.939346
325.2830 3.748413
325.7651 5.734467
326.2473 7.315659
326.7294 8.178162
327.2115 8.391632
327.6936 8.500809
328.1757 8.178452
328.6578 8.024094
329.1400 8.342422
329.6221 9.672531
330.1042 10.75912
330.5863 11.98131
331.0684 12.96178
331.5505 12.42873
332.0327 8.057358
332.5148 4.897903
332.9969 5.350006
333.4790 11.48315
333.9611 15.41969
334.4432 16.30891
334.9254 15.48892
335.4075 15.19666
335.8896 15.63258
336.3717 16.19556
336.8538 16.60439
337.3359 16.76282
337.8180 17.66319
338.3001 19.68695
338.7823 21.91357
339.2644 23.17331
339.7465 23.23811
340.2286 23.33510
340.7107 23.79771
341.1928 24.60744
341.6750 25.16397
342.1571 25.22931
342.6392 25.49942
343.1213 27.05658
343.6034 29.91907
344.0855 31.61411
344.5677 31.41220
345.0498 30.22847
345.5319 30.27632
346.0140 31.56686
346.4961 32.94960
346.9782 33.79175
347.4604 34.17535
347.9425 34.33636
348.4246 34.28464
348.9067 34.17542
349.3888 34.08528
349.8709 33.96947
350.3531 33.89024
350.8352 33.83511
351.3173 34.01756
351.7994 34.91563
352.2815 36.55006
352.7636 38.20570
353.2458 39.55685
353.7279 40.48073
354.2100 40.64723
354.6921 39.05951
355.1742 37.21941
355.6563 36.75923
356.1385 37.57147
356.6206 38.78383
357.1027 40.19656
357.5848 41.49812
358.0669 42.34457
358.5490 42.62340
359.0312 42.45210
359.5133 41.43848
359.9954 39.93750
360.4775 39.03616
360.9596 39.89656
361.4417 41.11510
361.9239 41.71303
362.4060 41.36810
362.8881 40.89812
363.3702 40.57750
363.8523 40.32968
364.3344 40.03836
364.8166 39.58099
365.2987 39.15332
365.7808 38.86612
366.2629 38.74434
366.7450 38.57335
367.2271 38.22487
367.7093 37.83572
368.1914 37.54796
368.6735 37.65208
369.1556 37.53299
369.6377 36.89545
370.1198 35.82208
370.6020 35.00098
371.0841 34.59039
371.5662 34.42062
372.0483 34.57231
372.5304 35.36610
373.0125 35.53268
373.4947 34.61777
373.9768 32.91765
374.4589 31.26791
374.9410 29.59663
375.4231 28.48076
375.9052 28.16039
376.3874 28.81282
376.8695 28.79463
377.3516 27.99734
377.8337 26.97049
378.3158 26.40649
378.7979 26.34744
379.2801 26.26143
379.7622 25.92703
380.2443 25.43474
380.7264 25.36871
381.2085 25.82433
381.6906 26.00089
382.1728 24.93871
382.6549 22.85907
383.1370 21.19676
383.6191 20.19659
384.1012 19.68091
384.5833 19.54913
385.0655 19.74385
385.5476 19.83417
386.0297 19.68292
386.5118 19.23528
386.9939 18.25932
387.4760 16.67119
387.9582 15.05225
388.4403 13.79997
388.9224 12.91248
389.4045 12.38478
389.8866 13.07224
390.3687 13.50943
390.8509 12.12524
391.3330 9.074493
391.8151 6.063004
392.2972 3.957596
392.7793 2.470978
393.2614 1.326172
393.7436 0.4549410
394.2257 7.0694000E-02
394.7078 6.9889999E-03
395.1899 0.4845430
395.6720 0.8273320
396.1541 0.6969600
396.6363 0.5322720
397.1184 0.7197420
397.6005 1.724457
398.0826 1.739212
398.5647 0.6809840
399.0468 3.834015
399.5290 5.657104
400.0111 5.002823
400.4932 4.082306
400.9753 3.068939
401.4574 1.962509
401.9395 1.402908
402.4217 1.809479
402.9038 2.318420
403.3859 2.304092
403.8680 1.406036
404.3501 0.8422390
404.8322 0.7145840
405.3144 0.9669950
405.7965 1.628067
406.2786 2.979004
406.7607 3.817093
407.2428 3.251236
407.7249 1.205612
408.2071 0.4097290
408.6892 1.130981
409.1713 2.297104
409.6534 2.478485
410.1355 1.728470
410.6176 1.174759
411.0998 1.246780
411.5819 1.660263
412.0640 1.878906
412.5461 1.891342
413.0282 1.443237
413.5103 0.1609650
413.9925 2.300720
414.4746 3.666183
414.9567 3.941772
415.4388 3.705109
415.9209 3.344879
416.4030 2.932419
416.8852 2.634064
417.3673 2.417801
417.8494 2.431046
418.3315 2.822632
418.8136 3.598892
419.2957 4.598007
419.7779 5.988297
420.2600 7.443298
420.7421 8.614120
421.2242 9.446777
421.7063 9.949768
422.1884 9.736908
422.6706 9.106140
423.1527 9.171753
423.6348 11.13300
424.1169 13.09332
424.5990 14.18140
425.0811 13.98396
425.5633 13.68376
426.0454 12.99670
426.5275 12.37004
427.0096 12.42119
427.4917 13.83458
427.9738 14.87770
428.4560 15.04683
428.9381 14.39534
429.4202 14.15680
429.9023 14.43279
430.3844 14.92879
430.8665 15.47397
431.3487 16.08928
431.8308 16.61205
432.3129 16.99995
432.7950 17.31874
433.2771 17.68752
433.7592 18.10226
434.2414 18.56285
434.7235 19.26028
435.2056 20.02557
435.6877 20.06618
436.1698 19.33977
436.6519 18.41197
437.1341 17.59583
437.6162 17.01982
438.0983 17.08023
438.5804 18.23833
439.0625 19.57179
439.5446 20.17509
440.0268 20.08971
440.5089 19.46054
440.9910 17.60291
441.4731 15.69621
441.9552 15.00777
442.4373 15.95683
442.9195 16.61797
443.4016 15.64336
443.8837 13.95119
444.3658 12.65742
444.8479 12.46793
445.3300 12.34814
445.8122 11.71803
446.2943 10.70801
446.7764 10.44890
447.2585 12.27771
447.7406 13.99545
448.2227 14.42947
448.7049 12.63345
449.1870 11.34935
449.6691 10.63742
450.1512 10.41519
450.6333 10.67159
451.1154 11.81387
451.5976 12.53580
452.0797 12.41887
452.5618 11.54384
453.0439 10.53793
453.5260 9.194824
454.0081 8.361481
454.4903 9.089447
454.9724 11.35294
455.4545 12.91985
455.9366 13.34732
456.4187 13.25060
456.9008 13.69669
457.3830 14.66826
457.8651 15.62289
458.3472 16.15820
458.8293 16.52515
459.3114 17.03030
459.7935 17.65327
460.2757 18.76471
460.7578 21.34399
461.2399 24.43806
461.7220 26.60378
462.2041 26.81192
462.6862 27.07906
463.1684 29.11697
463.6505 32.20628
464.1326 34.65010
464.6147 34.88788
465.0968 35.16681
465.5789 36.87781
466.0611 40.28320
466.5432 43.12323
467.0253 44.24892
467.5074 44.99640
467.9895 46.48427
468.4716 49.38138
468.9538 52.22498
469.4359 54.86809
469.9180 57.37144
470.4001 59.89598
470.8822 62.30688
471.3643 65.04074
471.8465 68.28879
472.3286 72.11125
472.8107 75.95865
473.2928 79.92838
473.7749 83.60205
474.2570 86.02431
474.7392 87.21432
475.2213 89.52176
475.7034 93.82126
476.1855 99.08417
476.6676 103.0641
477.1497 105.9084
477.6319 108.8482
478.1140 112.9377
478.5961 117.5298
479.0782 121.5182
479.5603 124.8010
480.0424 127.8470
480.5246 130.8838
481.0067 133.9636
481.4888 137.1677
481.9709 140.6031
482.4530 144.1019
482.9352 147.7434
483.4173 151.4075
483.8994 154.7162
484.3815 157.6686
484.8636 160.1372
485.3457 161.8500
485.8279 162.4269
486.3100 163.6873
486.7921 166.4913
487.2742 169.6555
487.7563 172.1613
488.2384 173.6439
488.7206 175.0790
489.2027 176.4292
489.6848 177.8335
490.1669 179.8583
490.6490 182.6655
491.1311 185.5706
491.6133 188.3212
492.0954 190.9273
492.5775 193.0311
493.0596 194.5372
493.5417 195.9154
494.0238 197.6678
494.5060 199.7402
494.9881 201.9178
495.4702 204.2915
495.9523 206.4896
496.4344 207.6478
496.9165 208.0508
497.3987 208.7660
497.8808 210.9010
498.3629 213.3279
498.8450 214.7813
499.3271 215.1252
499.8092 215.6982
500.2914 217.0263
500.7735 219.0109
501.2556 221.6096
501.7377 226.1174
502.2198 229.6193
502.7019 230.8651
503.1841 230.6179
503.6662 230.9832
504.1483 232.7530
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