#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:18 +0300 (Thu, 26 Apr 2018) $
#$Revision: 590 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000130.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_1000130
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 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            R110146.rod
_rod_data_source.block           3500000
_rod_database.code               1000130
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
144.1542 0.0000000E+00
144.6364 0.5923690
145.1185 0.8431240
145.6006 0.2089610
146.0827 0.1319890
146.5648 0.6381610
147.0469 1.774986
147.5291 2.487030
148.0112 2.374168
148.4933 1.791573
148.9754 1.532707
149.4575 1.683510
149.9396 2.031227
150.4218 2.272224
150.9039 2.665581
151.3860 3.586143
151.8681 5.308205
152.3502 7.755295
152.8323 10.14807
153.3145 12.65419
153.7966 14.86130
154.2787 16.33195
154.7608 17.42692
155.2429 18.85005
155.7250 21.19942
156.2072 24.54729
156.6893 27.69395
157.1714 30.73792
157.6535 33.55271
158.1356 35.94135
158.6177 37.99440
159.0999 40.16074
159.5820 43.03278
160.0641 46.86593
160.5462 49.10294
161.0283 48.85825
161.5104 47.41947
161.9926 46.49226
162.4747 46.32021
162.9568 45.90408
163.4389 43.93375
163.9210 40.43714
164.4031 37.12038
164.8853 34.30104
165.3674 31.82409
165.8495 29.55359
166.3316 27.49545
166.8137 25.54268
167.2958 23.51019
167.7780 21.44498
168.2601 19.62162
168.7422 18.39091
169.2243 17.56548
169.7064 16.40063
170.1885 14.67082
170.6707 12.75205
171.1528 10.79353
171.6349 8.842186
172.1170 7.044289
172.5991 5.488670
173.0812 4.178032
173.5634 3.140358
174.0455 2.610916
174.5276 2.211811
175.0097 1.903202
175.4918 1.640007
175.9739 1.355541
176.4561 0.8783000
176.9382 6.1099999E-02
177.4203 0.6269680
177.9024 0.2239840
178.3845 0.8128810
178.8666 1.730385
179.3488 2.582317
179.8309 3.263412
180.3130 3.485653
180.7951 3.048302
181.2772 2.686451
181.7593 2.189579
182.2415 1.923409
182.7236 2.215691
183.2057 3.168114
183.6878 4.391487
184.1699 5.268089
184.6520 5.653587
185.1342 5.995914
185.6163 6.197636
186.0984 6.356083
186.5805 6.651337
187.0626 7.091862
187.5447 7.604328
188.0269 8.122875
188.5090 8.651543
188.9911 9.104820
189.4732 9.432320
189.9553 9.683197
190.4374 9.888744
190.9196 9.979332
191.4017 10.18642
191.8838 11.01357
192.3659 12.51515
192.8480 13.68351
193.3301 13.83911
193.8123 13.24205
194.2944 12.85740
194.7765 13.03751
195.2586 13.37333
195.7407 13.50186
196.2228 13.40205
196.7050 13.00788
197.1871 12.01486
197.6692 10.45626
198.1513 9.366322
198.6334 9.439407
199.1155 9.596493
199.5977 9.085232
200.0798 7.893547
200.5619 6.512394
201.0440 5.319801
201.5261 4.294910
202.0082 3.700794
202.4904 4.000916
202.9725 4.355019
203.4546 4.373932
203.9367 3.996319
204.4188 3.384369
204.9009 2.665424
205.3831 1.743595
205.8652 1.021740
206.3473 0.6234400
206.8294 0.3249890
207.3115 2.2503000E-02
207.7936 0.3089640
208.2758 0.6524960
208.7579 1.023113
209.2400 1.636215
209.7221 1.750607
210.2042 0.8115350
210.6863 0.1531220
211.1685 0.3007510
211.6506 0.4666670
212.1327 1.481716
212.6148 1.759686
213.0969 0.7702180
213.5790 0.1068310
214.0612 4.5929998E-03
214.5433 5.7041001E-02
215.0254 1.5079000E-02
215.5075 0.2879260
215.9896 0.7354470
216.4717 1.354336
216.9539 2.337906
217.4360 2.995811
217.9181 3.233879
218.4002 3.184116
218.8823 2.801731
219.3644 2.073360
219.8466 1.474770
220.3287 1.842285
220.8108 3.458630
221.2929 4.401268
221.7750 3.795422
222.2571 2.616451
222.7393 2.145096
223.2214 2.710392
223.7035 3.603191
224.1856 3.993439
224.6677 3.930725
225.1498 3.689255
225.6320 2.995869
226.1141 2.248581
226.5962 2.298183
227.0783 3.552891
227.5604 4.791882
228.0425 4.454021
228.5247 2.930145
229.0068 1.778839
229.4889 1.918007
229.9710 2.821632
230.4531 3.265404
230.9352 2.932659
231.4174 2.564835
231.8995 2.798428
232.3816 3.454029
232.8637 4.067646
233.3458 4.431282
233.8279 4.610062
234.3101 4.744785
234.7922 4.771156
235.2743 4.683235
235.7564 4.483395
236.2385 4.286156
236.7206 4.300278
237.2028 4.805328
237.6849 5.597160
238.1670 5.793999
238.6491 4.943546
239.1312 4.192432
239.6133 4.013088
240.0955 4.233456
240.5776 4.579872
241.0597 4.953384
241.5418 5.345207
242.0239 5.508759
242.5060 5.314148
242.9882 5.000488
243.4703 4.575474
243.9524 4.098988
244.4345 3.645966
244.9166 3.259724
245.3987 2.931255
245.8809 2.606819
246.3630 2.033092
246.8451 1.827801
247.3272 2.443069
247.8093 3.383297
248.2914 3.952347
248.7736 3.738918
249.2557 3.013187
249.7378 2.900909
250.2199 4.334953
250.7020 5.228531
251.1841 4.865124
251.6663 3.973930
252.1484 3.442787
252.6305 3.702503
253.1126 4.503002
253.5947 5.072205
254.0768 5.595745
254.5590 5.584972
255.0411 4.430611
255.5232 2.959240
256.0053 2.069576
256.4874 2.144783
256.9695 2.912556
257.4517 3.715462
257.9338 4.766018
258.4159 5.584412
258.8980 6.174950
259.3801 6.531116
259.8622 6.565033
260.3444 6.259731
260.8265 5.824200
261.3086 5.652401
261.7907 5.933620
262.2728 6.201244
262.7549 6.377411
263.2371 6.569538
263.7192 6.970955
264.2013 7.622456
264.6834 8.242825
265.1655 8.385143
265.6476 7.770889
266.1298 7.289124
266.6119 6.955177
267.0940 6.742294
267.5761 6.722057
268.0582 6.959583
268.5403 7.320427
269.0225 7.614658
269.5046 7.794846
269.9867 7.773441
270.4688 7.414734
270.9509 7.091106
271.4330 7.111526
271.9152 7.460331
272.3973 7.770271
272.8794 7.692699
273.3615 7.193623
273.8436 6.740761
274.3257 6.181015
274.8079 5.777222
275.2900 5.966305
275.7721 6.698868
276.2542 7.118397
276.7363 6.398392
277.2184 4.700520
277.7006 3.673061
278.1827 3.784592
278.6648 4.228317
279.1469 4.573063
279.6290 4.787094
280.1111 4.747379
280.5933 4.247242
281.0754 3.485550
281.5575 3.125385
282.0396 3.521915
282.5217 3.879395
283.0038 3.583668
283.4860 2.761848
283.9681 2.104862
284.4502 2.001133
284.9323 2.207829
285.4144 2.151222
285.8965 1.685211
286.3787 1.292583
286.8608 1.394932
287.3429 1.836163
287.8250 1.987949
288.3071 1.537201
288.7892 0.8339770
289.2714 0.4111140
289.7535 0.3014340
290.2356 0.1852460
290.7177 0.2301940
291.1998 0.7731060
291.6819 0.9189410
292.1641 0.3964080
292.6462 0.2412610
293.1283 0.3132480
293.6104 0.1076350
294.0925 0.4599380
294.5746 0.5570450
295.0568 0.4268300
295.5389 4.0295001E-02
296.0210 0.7198750
296.5031 1.386600
296.9852 1.496555
297.4673 1.192551
297.9495 0.7839390
298.4316 8.6906001E-02
298.9137 0.5483670
299.3958 0.4611890
299.8779 0.5072250
300.3600 1.486244
300.8422 1.908653
301.3243 1.939846
301.8064 1.799656
302.2885 1.417061
302.7706 0.9958380
303.2527 0.7308430
303.7349 0.6182560
304.2170 0.7064020
304.6991 1.192902
305.1812 1.829281
305.6633 2.265701
306.1454 2.419289
306.6276 2.455578
307.1097 2.489929
307.5918 2.525768
308.0739 2.579014
308.5560 2.606888
309.0381 2.692753
309.5203 2.972076
310.0024 3.476898
310.4845 3.904964
310.9666 3.857414
311.4487 3.487637
311.9308 3.632923
312.4130 4.745052
312.8951 5.990585
313.3772 6.634197
313.8593 6.735138
314.3414 6.595066
314.8235 6.139153
315.3057 5.561756
315.7878 5.439774
316.2699 6.002655
316.7520 6.611523
317.2341 6.554737
317.7162 6.168755
318.1984 6.216751
318.6805 7.394337
319.1626 8.963825
319.6447 9.587250
320.1268 9.072777
320.6089 8.715736
321.0911 9.536591
321.5732 10.89714
322.0553 11.93604
322.5374 12.41482
323.0195 12.61986
323.5016 12.86867
323.9838 13.16814
324.4659 13.41780
324.9480 13.40782
325.4301 13.25999
325.9122 13.17693
326.3943 13.20577
326.8765 13.40931
327.3586 13.86468
327.8407 14.46533
328.3228 14.91366
328.8049 15.03311
329.2870 15.11464
329.7692 15.47227
330.2513 16.08149
330.7334 16.70584
331.2155 17.41171
331.6976 18.03362
332.1797 18.02829
332.6619 17.08125
333.1440 16.23419
333.6261 16.78642
334.1082 18.14190
334.5903 18.84407
335.0724 17.81992
335.5546 16.22469
336.0367 15.62743
336.5188 16.11991
337.0009 16.72331
337.4830 16.95428
337.9651 16.89981
338.4473 16.72666
338.9294 16.41218
339.4115 16.04494
339.8936 15.54418
340.3757 14.96983
340.8578 14.88197
341.3400 15.85312
341.8221 17.02377
342.3042 17.04061
342.7863 15.73002
343.2684 14.35542
343.7505 13.53311
344.2327 13.10129
344.7148 12.67436
345.1969 12.16350
345.6790 11.66682
346.1611 11.44411
346.6432 11.43418
347.1254 11.04667
347.6075 9.631920
348.0896 8.002174
348.5717 7.226551
349.0538 7.399204
349.5359 7.850441
350.0181 8.239346
350.5002 8.530483
350.9823 8.615398
351.4644 8.504425
351.9465 8.135792
352.4286 7.269867
352.9108 6.059128
353.3929 5.209316
353.8750 5.159660
354.3571 5.545982
354.8392 5.432693
355.3214 4.533833
355.8035 3.842983
356.2856 3.963966
356.7677 4.451740
357.2498 4.565121
357.7319 4.079308
358.2141 3.363346
358.6962 2.989529
359.1783 3.040359
359.6604 2.889534
360.1425 1.990654
360.6246 1.150459
361.1068 1.328793
361.5889 2.543518
362.0710 3.827499
362.5531 4.441669
363.0352 4.353249
363.5173 3.842411
363.9995 2.249779
364.4816 0.9217190
364.9637 0.6923030
365.4458 1.256050
365.9279 1.811291
366.4100 1.951122
366.8922 1.779697
367.3743 1.622925
367.8564 1.478661
368.3385 1.350021
368.8206 1.260338
369.3027 1.176414
369.7849 1.004864
370.2670 0.7320060
370.7491 0.5429420
371.2312 0.7494280
371.7133 1.655746
372.1954 1.979874
372.6776 1.301540
373.1597 0.4426800
373.6418 0.1566160
374.1239 0.4668160
374.6060 0.6500050
375.0881 0.8465770
375.5703 0.8074650
376.0524 0.6126480
376.5345 0.4588780
377.0166 5.7739001E-02
377.4987 0.5658260
377.9808 0.9509620
378.4630 0.9807090
378.9451 0.5445020
379.4272 8.5339002E-02
379.9093 0.2044110
380.3914 0.9471740
380.8735 1.304417
381.3557 8.9069996E-03
381.8378 1.490128
382.3199 1.915310
382.8020 1.193413
383.2841 0.1960450
383.7662 2.1805000E-02
384.2484 0.7381820
384.7305 0.8762780
385.2126 0.4982300
385.6947 1.654346
386.1768 1.895203
386.6589 1.503490
387.1411 1.105232
387.6232 1.071167
388.1053 1.311077
388.5874 1.520039
389.0695 1.745758
389.5516 1.839409
390.0338 1.635441
390.5159 1.376068
390.9980 1.303055
391.4801 1.481743
391.9622 1.746788
392.4443 1.888268
392.9265 1.889107
393.4086 1.935257
393.8907 2.131649
394.3728 2.298267
394.8549 2.256901
395.3370 2.073612
395.8192 2.006454
396.3013 2.329788
396.7834 2.893280
397.2655 3.158810
397.7476 3.002949
398.2297 2.868843
398.7119 3.026871
399.1940 3.334255
399.6761 3.611996
400.1582 3.793205
400.6403 3.982567
401.1224 4.360386
401.6046 4.908215
402.0867 5.260544
402.5688 5.283180
403.0509 5.077538
403.5330 4.699028
404.0151 4.137630
404.4973 3.760990
404.9794 3.891171
405.4615 4.265030
405.9436 4.362263
406.4257 4.081955
406.9078 3.850639
407.3900 3.949978
407.8721 4.402290
408.3542 5.209087
408.8363 7.045902
409.3184 8.631428
409.8005 8.925922
410.2827 8.221714
410.7648 7.513290
411.2469 7.221375
411.7290 7.205872
412.2111 7.182377
412.6932 7.187630
413.1754 7.101082
413.6575 6.887280
414.1396 6.579994
414.6217 6.075859
415.1038 5.406555
415.5859 4.971935
416.0681 5.208855
416.5502 6.192291
417.0323 7.072567
417.5144 8.043224
417.9965 8.733479
418.4786 8.899422
418.9608 8.684399
419.4429 8.314049
419.9250 7.890919
420.4071 7.505112
420.8892 7.415443
421.3713 7.850883
421.8535 8.255589
422.3356 8.767849
422.8177 9.142185
423.2998 8.928131
423.7819 8.229496
424.2640 7.830780
424.7462 8.704872
425.2283 10.99394
425.7104 12.47491
426.1925 12.20241
426.6746 12.10738
427.1567 12.64570
427.6389 13.74105
428.1210 15.32966
428.6031 17.46005
429.0852 19.75511
429.5673 21.42777
430.0494 22.33649
430.5316 23.04997
431.0137 23.40197
431.4958 23.80809
431.9779 24.65622
432.4600 25.92874
432.9421 27.10658
433.4243 27.61077
433.9064 27.67081
434.3885 28.30501
434.8706 29.76071
435.3527 31.36266
435.8348 32.83092
436.3170 34.15104
436.7991 35.22925
437.2812 35.79978
437.7633 36.43173
438.2454 38.00011
438.7275 40.29367
439.2097 41.72691
439.6918 41.39253
440.1739 40.36324
440.6560 40.33662
441.1381 41.39554
441.6202 42.17471
442.1024 42.17433
442.5845 41.73711
443.0666 41.15386
443.5487 40.43340
444.0308 39.80521
444.5129 39.47522
444.9951 39.40168
445.4772 39.15770
445.9593 38.78238
446.4414 38.22597
446.9235 37.54885
447.4056 36.65803
447.8878 35.32484
448.3699 33.48183
448.8520 31.44714
449.3341 29.68228
449.8162 28.23060
450.2983 26.97713
450.7805 26.05472
451.2626 25.17901
451.7447 24.08042
452.2268 22.89202
452.7089 22.02414
453.1910 21.81321
453.6732 22.02050
454.1553 21.59510
454.6374 19.99442
455.1195 18.67771
455.6016 17.90199
456.0837 17.44930
456.5659 17.26399
457.0480 17.28411
457.5301 17.24042
458.0122 16.83072
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