#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:50:18 +0300 (Thu, 24 May 2018) $
#$Revision: 816 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000306.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_1000306
loop_
_publ_author_name
'Arlt, T.'
'Armbruster, T.'
_publ_section_title
;
 Single-crystal X-ray structure refinement of cornwallite,
 Cu5(AsO4)2(OH)4: A comparison with its polymorph cornubite and the
 (PO4)-analogue pseudomalachite Locality: Clara mine, Oberwolfach, Black
 Forest, Germany Note: Biso for O2 and O4 switched to match calculated
 values
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              468
_journal_page_last               480
_journal_volume                  1999
_journal_year                    1999
_chemical_compound_source        R110146
_chemical_formula_sum            'As1.8 Cu5 H4 O12 P0.2'
_chemical_name_mineral           Cornwallite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.87
_cell_angle_gamma                90
_cell_length_a                   4.600
_cell_length_b                   5.757
_cell_length_c                   17.380
_cell_volume                     460.016
_exptl_crystal_density_diffrn    4.727
_cod_original_cell_volume        460.015
_cod_original_formula_sum        'Cu5 (As1.8 P.2) O12 H4'
_cod_database_code               9009405
_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            R110146.rod
_rod_data_source.block           3500000
_rod_database.code               1000306
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 9009405 COD http://www.crystallography.net/cod/9009405.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
149.7925 0.0000000E+00
150.2747 2.170893
150.7568 1.897835
151.2389 0.3582950
151.7210 0.8238450
152.2031 0.2884560
152.6852 2.787960
153.1674 6.409595
153.6495 11.31578
154.1316 17.82587
154.6137 26.02548
155.0958 35.66358
155.5779 46.63799
156.0601 58.81712
156.5422 72.44304
157.0243 87.84689
157.5064 104.6085
157.9885 121.9282
158.4706 140.4937
158.9528 158.9237
159.4349 176.5478
159.9170 192.9636
160.3991 209.0779
160.8812 225.9362
161.3633 242.7821
161.8455 257.6344
162.3276 270.0778
162.8097 280.0558
163.2918 287.9203
163.7739 294.5953
164.2560 297.7973
164.7382 296.1487
165.2203 290.0666
165.7024 281.1615
166.1845 268.8369
166.6666 254.5814
167.1487 239.8147
167.6309 224.2184
168.1130 208.7418
168.5951 193.8845
169.0772 179.6342
169.5593 166.3266
170.0414 154.3435
170.5236 143.3181
171.0057 132.9582
171.4878 122.8163
171.9699 113.4142
172.4520 105.3347
172.9341 98.51065
173.4163 92.58967
173.8984 87.52482
174.3805 83.13608
174.8626 79.25293
175.3447 75.66953
175.8268 72.56563
176.3090 70.13187
176.7911 68.38240
177.2732 67.19853
177.7553 65.85354
178.2374 64.21577
178.7195 62.80942
179.2017 61.94173
179.6838 61.40793
180.1659 60.74250
180.6480 59.89228
181.1301 59.54812
181.6122 60.62578
182.0944 62.82896
182.5765 65.14780
183.0586 67.09753
183.5407 68.86781
184.0228 70.94044
184.5049 73.29720
184.9871 75.97496
185.4692 78.97147
185.9513 82.30368
186.4334 85.90576
186.9155 89.79035
187.3976 93.93937
187.8798 98.44699
188.3619 103.3619
188.8440 108.3825
189.3261 113.0322
189.8082 117.3639
190.2903 121.4661
190.7725 125.1425
191.2546 128.6541
191.7367 132.6291
192.2188 136.8936
192.7009 142.0748
193.1830 149.1394
193.6652 158.0062
194.1473 168.0628
194.6294 179.3420
195.1115 191.7621
195.5936 204.2284
196.0757 216.8517
196.5579 229.2045
197.0400 241.1886
197.5221 253.0577
198.0042 262.1121
198.4863 267.1740
198.9684 268.2362
199.4506 265.2444
199.9327 257.9468
200.4148 247.2905
200.8969 234.6042
201.3790 219.3743
201.8611 203.1135
202.3433 186.3268
202.8254 168.9141
203.3075 152.4828
203.7896 137.2030
204.2717 123.1066
204.7538 110.5541
205.2360 99.64197
205.7181 89.84511
206.2002 80.94913
206.6823 73.00105
207.1644 65.57108
207.6465 58.19059
208.1287 51.35281
208.6108 45.34329
209.0929 40.29788
209.5750 35.72420
210.0571 31.29224
210.5392 26.83862
211.0214 23.09720
211.5035 20.27991
211.9856 18.17242
212.4677 15.87516
212.9498 13.14737
213.4319 10.75845
213.9140 9.255661
214.3962 8.912560
214.8783 8.456924
215.3604 7.701859
215.8425 6.766724
216.3246 6.153870
216.8067 5.904472
217.2889 5.881790
217.7710 6.013123
218.2531 6.314629
218.7352 6.725380
219.2173 7.276306
219.6994 7.937019
220.1816 8.495605
220.6637 8.810776
221.1458 9.274437
221.6279 10.17046
222.1100 11.71115
222.5921 13.15073
223.0743 14.48894
223.5564 15.68653
224.0385 16.59657
224.5206 17.10093
225.0027 17.47968
225.4848 17.98033
225.9670 18.92735
226.4491 19.20537
226.9312 18.65434
227.4133 17.37273
227.8954 15.73107
228.3775 13.60003
228.8597 11.34687
229.3418 9.210487
229.8239 7.236328
230.3060 5.262970
230.7881 3.195770
231.2702 1.105461
231.7524 0.5555500
232.2345 1.611160
232.7166 2.469917
233.1987 3.352608
233.6808 4.377419
234.1629 5.169510
234.6451 5.761452
235.1272 6.094910
235.6093 5.941353
236.0914 5.115021
236.5735 4.027985
237.0556 2.941826
237.5378 2.010323
238.0199 0.8049470
238.5020 0.7912220
238.9841 2.692245
239.4662 4.500168
239.9483 6.240952
240.4305 7.835251
240.9126 9.261879
241.3947 10.60970
241.8768 11.50729
242.3589 11.86780
242.8410 11.82834
243.3232 11.83359
243.8053 12.09809
244.2874 12.11900
244.7695 11.57722
245.2516 10.17735
245.7337 8.846176
246.2159 7.743484
246.6980 6.736061
247.1801 5.346642
247.6622 3.183022
248.1443 1.202850
248.6264 5.9455998E-02
249.1086 0.2057950
249.5907 0.6343230
250.0728 1.527725
250.5549 2.670929
251.0370 3.512833
251.5191 4.078819
252.0013 4.298546
252.4834 4.095985
252.9655 3.294296
253.4476 2.532753
253.9297 1.823662
254.4118 1.148239
254.8940 0.4841160
255.3761 4.2702001E-02
255.8582 0.7837910
256.3403 1.879517
256.8224 3.354813
257.3046 5.100937
257.7867 7.200241
258.2688 9.495071
258.7509 11.66118
259.2330 13.58873
259.7151 15.56082
260.1973 17.69347
260.6794 19.95773
261.1615 22.31348
261.6436 24.65051
262.1257 27.14584
262.6078 30.08914
263.0900 33.47511
263.5721 37.27638
264.0542 41.53726
264.5363 46.41254
265.0184 51.04089
265.5005 55.33388
265.9827 59.58286
266.4648 64.30959
266.9469 69.58373
267.4290 75.05678
267.9111 80.77580
268.3932 86.74982
268.8754 92.32468
269.3575 97.30756
269.8396 102.1701
270.3217 107.4827
270.8038 113.3512
271.2859 119.1927
271.7681 124.9241
272.2502 130.5038
272.7323 135.5282
273.2144 140.0293
273.6965 143.7297
274.1786 146.3469
274.6608 147.9151
275.1429 148.3235
275.6250 147.4856
276.1071 145.4642
276.5892 142.5759
277.0714 138.8363
277.5535 134.3185
278.0356 129.0321
278.5177 122.9497
278.9998 116.3538
279.4819 109.2085
279.9641 101.5891
280.4462 94.04907
280.9283 86.52264
281.4104 79.25798
281.8925 72.36137
282.3746 65.83475
282.8568 59.62329
283.3389 53.69473
283.8210 48.09930
284.3031 42.99593
284.7852 38.38182
285.2673 34.15826
285.7495 30.23150
286.2316 26.59996
286.7137 23.22987
287.1958 20.11053
287.6779 17.25835
288.1600 14.73799
288.6422 12.54992
289.1243 10.54644
289.6064 8.606377
290.0885 6.752403
290.5706 5.315788
291.0527 4.389717
291.5349 3.700188
292.0170 2.857300
292.4991 1.880997
292.9812 0.8690570
293.4633 0.2004240
293.9454 1.229897
294.4276 1.931252
294.9097 2.258766
295.3918 2.391693
295.8739 2.553566
296.3560 2.723854
296.8381 2.769386
297.3203 2.683105
297.8024 2.412613
298.2845 1.735100
298.7666 0.6031800
299.2487 0.5293880
299.7308 1.178230
300.2130 1.464218
300.6951 1.717712
301.1772 1.785500
301.6593 2.033691
302.1414 3.140320
302.6235 5.080559
303.1057 7.208061
303.5878 8.914337
304.0699 10.42506
304.5520 12.12795
305.0341 14.23718
305.5162 16.50655
305.9984 18.75876
306.4805 20.96136
306.9626 23.10013
307.4447 24.79435
307.9268 26.48242
308.4089 28.76840
308.8911 32.10355
309.3732 35.66195
309.8553 38.71429
310.3374 41.42906
310.8195 44.41171
311.3016 47.88667
311.7838 51.77303
312.2659 56.07300
312.7480 60.84059
313.2301 65.83431
313.7122 70.95038
314.1943 76.23113
314.6765 81.69437
315.1586 87.42204
315.6407 93.28226
316.1228 99.18916
316.6049 105.0309
317.0870 111.3007
317.5692 118.4218
318.0513 125.9961
318.5334 133.4279
319.0155 140.4146
319.4976 147.3321
319.9797 154.3408
320.4619 161.4653
320.9440 168.3803
321.4261 174.9736
321.9082 181.2587
322.3903 187.2211
322.8724 192.7782
323.3546 198.0510
323.8367 202.8710
324.3188 207.2709
324.8009 212.0038
325.2830 217.2888
325.7651 222.8363
326.2473 228.4474
326.7294 233.7100
327.2115 239.4901
327.6936 246.0642
328.1757 253.2671
328.6578 260.5264
329.1400 268.6005
329.6221 276.0627
330.1042 282.4173
330.5863 287.5376
331.0684 291.9183
331.5505 295.6674
332.0327 298.6311
332.5148 300.4405
332.9969 301.1338
333.4790 300.5758
333.9611 298.6689
334.4432 295.2886
334.9254 290.8869
335.4075 285.0929
335.8896 278.6230
336.3717 272.5404
336.8538 267.2567
337.3359 261.4582
337.8180 254.6335
338.3001 246.8396
338.7823 239.6663
339.2644 233.3609
339.7465 227.3568
340.2286 221.0811
340.7107 214.5219
341.1928 208.0897
341.6750 201.9671
342.1571 196.0799
342.6392 190.5804
343.1213 185.5002
343.6034 180.4093
344.0855 174.8365
344.5677 168.8528
345.0498 163.0350
345.5319 157.5268
346.0140 152.1649
346.4961 146.6007
346.9782 140.8667
347.4604 135.1828
347.9425 129.5523
348.4246 124.0480
348.9067 119.2343
349.3888 115.1875
349.8709 111.6011
350.3531 108.2309
350.8352 105.0293
351.3173 101.8495
351.7994 98.38786
352.2815 94.98079
352.7636 92.23909
353.2458 90.17085
353.7279 88.32270
354.2100 86.40005
354.6921 84.42912
355.1742 82.48844
355.6563 80.85358
356.1385 79.00570
356.6206 76.22691
357.1027 72.68510
357.5848 69.26623
358.0669 66.56589
358.5490 64.16357
359.0312 61.69437
359.5133 59.12016
359.9954 56.39793
360.4775 53.32501
360.9596 50.05404
361.4417 46.97643
361.9239 44.40070
362.4060 41.91736
362.8881 39.24074
363.3702 36.26291
363.8523 33.52001
364.3344 31.35814
364.8166 29.46270
365.2987 27.45869
365.7808 25.17927
366.2629 22.91505
366.7450 20.72401
367.2271 18.60881
367.7093 16.59428
368.1914 14.71371
368.6735 12.91279
369.1556 11.14135
369.6377 9.189102
370.1198 7.576126
370.6020 6.482735
371.0841 5.764053
371.5662 4.887260
372.0483 3.707924
372.5304 2.555405
373.0125 1.569984
373.4947 0.8179320
373.9768 5.1270001E-02
374.4589 0.7820210
374.9410 1.597015
375.4231 2.226585
375.9052 2.603790
376.3874 2.993073
376.8695 3.499382
377.3516 4.119331
377.8337 4.555084
378.3158 4.773697
378.7979 4.906845
379.2801 5.113640
379.7622 5.404152
380.2443 5.532745
380.7264 5.413162
381.2085 5.133171
381.6906 4.928497
382.1728 4.802979
382.6549 4.666382
383.1370 4.479897
383.6191 4.238678
384.1012 3.932945
384.5833 3.558472
385.0655 3.121429
385.5476 2.719139
386.0297 2.287025
386.5118 1.615234
386.9939 0.4997630
387.4760 0.8851010
387.9582 2.395508
388.4403 4.044373
388.9224 5.520119
389.4045 6.332764
389.8866 6.862534
390.3687 7.668854
390.8509 9.171539
391.3330 10.73892
391.8151 11.83682
392.2972 12.59286
392.7793 13.54436
393.2614 15.02364
393.7436 16.74773
394.2257 18.59728
394.7078 20.64918
395.1899 22.54205
395.6720 23.83923
396.1541 24.94775
396.6363 26.52211
397.1184 29.16765
397.6005 31.88637
398.0826 34.28871
398.5647 36.29339
399.0468 38.51483
399.5290 40.95615
400.0111 43.66827
400.4932 46.69563
400.9753 50.19202
401.4574 53.80708
401.9395 57.44514
402.4217 61.15550
402.9038 65.08391
403.3859 69.17635
403.8680 73.56809
404.3501 78.38947
404.8322 83.71531
405.3144 89.05610
405.7965 94.32000
406.2786 99.63040
406.7607 105.1793
407.2428 111.0081
407.7249 116.8847
408.2071 122.7454
408.6892 128.5719
409.1713 134.0170
409.6534 139.0527
410.1355 143.9937
410.6176 149.3767
411.0998 155.0467
411.5819 159.9515
412.0640 163.8625
412.5461 166.9648
413.0282 169.7259
413.5103 172.0607
413.9925 173.5621
414.4746 173.8076
414.9567 173.1445
415.4388 172.0271
415.9209 170.4582
416.4030 168.6737
416.8852 166.9528
417.3673 165.1205
417.8494 162.8917
418.3315 159.8583
418.8136 156.6297
419.2957 153.1836
419.7779 149.6978
420.2600 147.0857
420.7421 146.2758
421.2242 146.2155
421.7063 146.0862
422.1884 145.1956
422.6706 145.2503
423.1527 146.9482
423.6348 149.8395
424.1169 153.0662
424.5990 156.1419
425.0811 159.9175
425.5633 164.4272
426.0454 169.5087
426.5275 176.3996
427.0096 185.6177
427.4917 196.3110
427.9738 207.8076
428.4560 219.8930
428.9381 233.1404
429.4202 247.5769
429.9023 263.0171
430.3844 279.6592
430.8665 297.3324
431.3487 316.4159
431.8308 336.9853
432.3129 358.9113
432.7950 382.9581
433.2771 409.3389
433.7592 437.1861
434.2414 465.6572
434.7235 494.8148
435.2056 525.4943
435.6877 558.0971
436.1698 592.1885
436.6519 627.4526
437.1341 663.9119
437.6162 701.3726
438.0983 741.2571
438.5804 782.1238
439.0625 821.7589
439.5446 860.0964
440.0268 896.1500
440.5089 929.4795
440.9910 959.9990
441.4731 987.0167
441.9552 1012.474
442.4373 1032.899
442.9195 1046.424
443.4016 1052.976
443.8837 1053.423
444.3658 1047.898
444.8479 1036.500
445.3300 1019.335
445.8122 995.0795
446.2943 966.5493
446.7764 932.7299
447.2585 894.8098
447.7406 855.8369
448.2227 814.7764
448.7049 773.8684
449.1870 733.1180
449.6691 692.7232
450.1512 653.3274
450.6333 614.9013
451.1154 578.0409
451.5976 543.2414
452.0797 510.7072
452.5618 480.6999
453.0439 453.2115
453.5260 428.4524
454.0081 405.6205
454.4903 384.7094
454.9724 365.2822
455.4545 346.8996
455.9366 329.7071
456.4187 313.5057
456.9008 298.3967
457.3830 284.3641
457.8651 272.3815
458.3472 261.7951
458.8293 251.0666
459.3114 239.2334
459.7935 227.3358
460.2757 216.5146
460.7578 206.6798
461.2399 197.1419
461.7220 187.4985
462.2041 177.9239
462.6862 168.6804
463.1684 159.8315
463.6505 151.3076
464.1326 143.1011
464.6147 135.3231
465.0968 127.9749
465.5789 121.4101
466.0611 115.1425
466.5432 108.9329
467.0253 102.8332
467.5074 97.11949
467.9895 92.00124
468.4716 87.13263
468.9538 82.37332
469.4359 77.70430
469.9180 73.30225
470.4001 69.11261
470.8822 65.17693
471.3643 61.54166
471.8465 58.23840
472.3286 55.13795
472.8107 52.21358
473.2928 49.48900
473.7749 46.84221
474.2570 44.27348
474.7392 41.85202
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