#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:56 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1099 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000535.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_1000535
loop_
_publ_author_name
'Giuseppetti, G.'
'Mazzi, F.'
'Tadini, C.'
_publ_section_title
;
 The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O
 Locality: Wheal Phoenix Mine, Cornwall, England
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              227
_journal_page_last               239
_journal_volume                  1989
_journal_year                    1989
_chemical_compound_source        R060007
_chemical_formula_sum            'Al0.54 Cu Fe5.46 H16 O28 P4'
_chemical_name_mineral           Chalcosiderite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.57
_cell_angle_beta                 69.17
_cell_angle_gamma                64.93
_cell_length_a                   7.653
_cell_length_b                   7.873
_cell_length_c                   10.190
_cell_volume                     500.076
_exptl_crystal_density_diffrn    3.224
_cod_original_formula_sum        'Cu (Fe5.46 Al.54) P4 O28 H16'
_cod_database_code               9009359
_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            R060007.rod
_rod_data_source.block           3500000
_rod_database.code               1000535
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 9009359 COD http://www.crystallography.net/cod/9009359.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
121.0265 0.0000000E+00
121.5086 1.423553
121.9907 3.066620
122.4728 4.547729
122.9550 5.793854
123.4371 5.869324
123.9192 4.080872
124.4013 2.201813
124.8834 1.883575
125.3655 3.022705
125.8476 4.414703
126.3298 5.180023
126.8119 4.759521
127.2940 4.502747
127.7761 4.465424
128.2582 4.346283
128.7404 4.747009
129.2225 6.425385
129.7046 8.110626
130.1867 7.712128
130.6688 5.959991
131.1509 6.072479
131.6331 7.142792
132.1152 7.673737
132.5973 7.579315
133.0794 6.627411
133.5615 4.691681
134.0436 3.304535
134.5258 4.005890
135.0079 4.438751
135.4900 4.329559
135.9721 3.816132
136.4542 2.941315
136.9363 1.533783
137.4185 0.3077090
137.9006 0.7481990
138.3827 1.691803
138.8648 3.782562
139.3469 3.643982
139.8290 1.568634
140.3112 0.7221980
140.7933 1.904968
141.2754 1.971069
141.7575 1.746887
142.2396 0.9063720
142.7217 2.8534001E-02
143.2039 0.4579770
143.6860 0.2737430
144.1681 8.4686004E-02
144.6502 0.4927980
145.1323 0.8345030
145.6144 0.7433470
146.0966 0.2773130
146.5787 1.885437
147.0608 2.969788
147.5429 3.172791
148.0250 3.238281
148.5071 3.715637
148.9893 4.450287
149.4714 4.999573
149.9535 4.932037
150.4356 4.198090
150.9177 3.577179
151.3998 2.888123
151.8820 2.483490
152.3641 2.697662
152.8462 3.427917
153.3283 4.204865
153.8104 4.445953
154.2925 3.859436
154.7747 3.548615
155.2568 3.242188
155.7389 3.320984
156.2210 4.244415
156.7031 6.007874
157.1852 8.036713
157.6673 9.412964
158.1495 9.422699
158.6316 9.967346
159.1137 11.40167
159.5958 13.19809
160.0779 14.87613
160.5600 16.28296
161.0422 17.45917
161.5243 18.37802
162.0064 18.65372
162.4885 19.54770
162.9706 22.10941
163.4527 25.45325
163.9349 27.60190
164.4170 27.34332
164.8991 26.23047
165.3812 27.34213
165.8633 31.31332
166.3454 35.28915
166.8276 37.33301
167.3097 37.72098
167.7918 38.64270
168.2739 41.13342
168.7560 44.48184
169.2381 47.82059
169.7203 51.07938
170.2024 54.28983
170.6845 57.50562
171.1666 60.72430
171.6487 63.90076
172.1308 66.89969
172.6130 69.89932
173.0951 73.06842
173.5772 76.47430
174.0593 79.96832
174.5414 83.26468
175.0235 86.13446
175.5057 89.28018
175.9878 92.94452
176.4699 96.84265
176.9520 100.9258
177.4341 105.2019
177.9162 109.3236
178.3984 112.1859
178.8805 112.3456
179.3626 113.3640
179.8447 115.9382
180.3268 119.5363
180.8089 123.6790
181.2911 128.1422
181.7732 132.7322
182.2553 136.3376
182.7374 137.9141
183.2195 139.6765
183.7016 142.2231
184.1838 145.2400
184.6659 148.1135
185.1480 150.4607
185.6301 152.3454
186.1122 154.3852
186.5943 156.7963
187.0765 159.1016
187.5586 160.9958
188.0407 162.5901
188.5228 164.3423
189.0049 166.7341
189.4870 169.5085
189.9692 171.2325
190.4513 170.7089
190.9334 170.1669
191.4155 171.2643
191.8976 173.9224
192.3797 176.6333
192.8619 178.2839
193.3440 179.2228
193.8261 180.5048
194.3082 182.5616
194.7903 184.7747
195.2724 186.5066
195.7546 187.7844
196.2367 188.8229
196.7188 189.8340
197.2009 190.4965
197.6830 190.1565
198.1651 187.9130
198.6473 184.9513
199.1294 183.5500
199.6115 184.4029
200.0936 185.2255
200.5757 184.8259
201.0578 183.7450
201.5400 182.6736
202.0221 181.9597
202.5042 181.3891
202.9863 180.4440
203.4684 179.0136
203.9505 177.6253
204.4327 176.2875
204.9148 175.0112
205.3969 173.9138
205.8790 173.2688
206.3611 172.8604
206.8432 171.3772
207.3254 167.5481
207.8075 164.2251
208.2896 162.2320
208.7717 161.0280
209.2538 159.7983
209.7359 158.0680
210.2181 155.8648
210.7002 153.7673
211.1823 152.1933
211.6644 150.3977
212.1465 147.9086
212.6286 145.0278
213.1108 142.4077
213.5929 140.6458
214.0750 139.6910
214.5571 138.0815
215.0392 135.1826
215.5213 132.2704
216.0035 129.5857
216.4856 127.1773
216.9677 125.1821
217.4498 123.7509
217.9319 122.8186
218.4140 121.1829
218.8962 117.9368
219.3783 115.0784
219.8604 113.7861
220.3425 113.6063
220.8246 113.0858
221.3067 111.2243
221.7889 108.2122
222.2710 105.5884
222.7531 103.4821
223.2352 101.5865
223.7173 99.76740
224.1994 98.02789
224.6816 96.39716
225.1637 94.94513
225.6458 93.60211
226.1279 92.10538
226.6100 90.57724
227.0921 88.78650
227.5743 86.35931
228.0564 83.38052
228.5385 80.62320
229.0206 78.64560
229.5027 77.13773
229.9848 75.44305
230.4670 73.50333
230.9491 71.38199
231.4312 68.88260
231.9133 65.99258
232.3954 63.67300
232.8775 62.83258
233.3597 62.64270
233.8418 62.03006
234.3239 60.77377
234.8060 59.21411
235.2881 57.70453
235.7702 56.26654
236.2524 54.66626
236.7345 52.41248
237.2166 50.17599
237.6987 48.68301
238.1808 48.18442
238.6629 47.98029
239.1451 47.22330
239.6272 45.82037
240.1093 44.36496
240.5914 42.83911
241.0735 41.44553
241.5556 40.40924
242.0378 39.78186
242.5199 39.31891
243.0020 38.77496
243.4841 38.24136
243.9662 37.27402
244.4483 34.99973
244.9305 32.77811
245.4126 31.68594
245.8947 31.91238
246.3768 32.50409
246.8589 32.08517
247.3410 30.23120
247.8232 28.68723
248.3053 28.01767
248.7874 27.39194
249.2695 26.17947
249.7516 24.32941
250.2337 22.38446
250.7159 21.22440
251.1980 21.48987
251.6801 20.76562
252.1622 17.93698
252.6443 15.05789
253.1264 13.44775
253.6086 13.17603
254.0907 13.28900
254.5728 12.56305
255.0549 10.55356
255.5370 9.045288
256.0191 8.460327
256.5013 7.938385
256.9834 6.974182
257.4655 5.565613
257.9476 4.057251
258.4297 2.791687
258.9118 1.716919
259.3940 1.127930
259.8761 1.708008
260.3582 2.084839
260.8403 1.222351
261.3224 0.6607970
261.8045 2.421295
262.2867 2.916382
262.7688 1.883209
263.2509 1.338318
263.7330 1.228455
264.2151 1.525940
264.6972 2.571838
265.1794 4.107758
265.6615 5.395569
266.1436 5.809448
266.6257 5.314056
267.1078 4.658508
267.5899 3.553619
268.0721 2.596649
268.5542 2.279602
269.0363 2.369385
269.5184 2.109436
270.0005 0.8631590
270.4826 1.245422
270.9648 2.298615
271.4469 1.360077
271.9290 0.5902100
272.4111 0.6929320
272.8932 1.579803
273.3753 3.087402
273.8575 5.269073
274.3396 7.866455
274.8217 9.492188
275.3038 9.381470
275.7859 9.395874
276.2680 10.10956
276.7502 11.35611
277.2323 12.83011
277.7144 14.42776
278.1965 16.09387
278.6786 17.66138
279.1607 19.08978
279.6429 20.51309
280.1250 22.08655
280.6071 23.67221
281.0892 24.91428
281.5713 25.60727
282.0534 26.15771
282.5356 27.42566
283.0177 29.49289
283.4998 31.73251
283.9819 34.00381
284.4640 36.34766
284.9461 38.87650
285.4283 41.64990
285.9104 44.46338
286.3925 47.11041
286.8746 49.64572
287.3567 51.73428
287.8388 53.01596
288.3210 53.93567
288.8031 54.97733
289.2852 56.21394
289.7673 57.74095
290.2494 59.79164
290.7315 62.34250
291.2137 64.75632
291.6958 66.84888
292.1779 68.82056
292.6600 70.92381
293.1421 73.18561
293.6242 75.36169
294.1064 77.26804
294.5885 78.90250
295.0706 80.28575
295.5527 81.02304
296.0348 81.78152
296.5169 83.26366
296.9991 85.44846
297.4812 87.59482
297.9633 89.09503
298.4454 90.24292
298.9275 91.98436
299.4096 95.22507
299.8918 98.12076
300.3739 98.83215
300.8560 97.71854
301.3381 97.34082
301.8202 99.18665
302.3023 102.2176
302.7845 104.2482
303.2666 104.9514
303.7487 105.5221
304.2308 106.6526
304.7129 108.1755
305.1950 109.5986
305.6772 110.8520
306.1593 111.8238
306.6414 112.2824
307.1235 112.1726
307.6056 112.0733
308.0877 112.3199
308.5699 112.7966
309.0520 113.2359
309.5341 113.6170
310.0162 113.8035
310.4983 113.4951
310.9804 112.7876
311.4626 112.2795
311.9447 112.2602
312.4268 112.5155
312.9089 112.8589
313.3910 113.3620
313.8731 113.4861
314.3553 112.3134
314.8374 110.3069
315.3195 108.9710
315.8016 109.1931
316.2837 109.8665
316.7658 109.8373
317.2480 109.0796
317.7301 108.0258
318.2122 106.8565
318.6943 105.5086
319.1764 103.9052
319.6585 102.2247
320.1407 100.1099
320.6228 96.79688
321.1049 92.52003
321.5870 89.25995
322.0691 88.33740
322.5512 88.47000
323.0334 87.25388
323.5155 84.33707
323.9976 81.39011
324.4797 79.70419
324.9618 78.78513
325.4439 76.96445
325.9261 73.39497
326.4082 69.42238
326.8903 67.01227
327.3724 66.17926
327.8545 65.11441
328.3366 62.90802
328.8188 60.08670
329.3009 57.58818
329.7830 55.57492
330.2651 53.80716
330.7472 52.25285
331.2293 50.82553
331.7115 48.94849
332.1936 45.86011
332.6757 42.64114
333.1578 40.49185
333.6399 39.46663
334.1220 38.77844
334.6042 38.08411
335.0863 37.29230
335.5684 36.16776
336.0505 34.37318
336.5326 32.57408
337.0147 31.28705
337.4969 30.39996
337.9790 29.35458
338.4611 27.77956
338.9432 26.03107
339.4253 24.87158
339.9074 24.40372
340.3896 24.15454
340.8717 24.27313
341.3538 24.44537
341.8359 23.93405
342.3180 22.42410
342.8001 20.55905
343.2823 19.21225
343.7644 18.38976
344.2465 17.74995
344.7286 17.39857
345.2107 17.11403
345.6928 16.67728
346.1750 16.05432
346.6571 15.25987
347.1392 14.28166
347.6213 13.10326
348.1034 11.93782
348.5855 10.62105
349.0677 9.447891
349.5498 8.513916
350.0319 7.858093
350.5140 7.736755
350.9961 8.531967
351.4782 9.851089
351.9604 9.832596
352.4425 7.252640
352.9246 5.061646
353.4067 4.514008
353.8888 4.907349
354.3709 5.034424
354.8531 4.443359
355.3352 3.341904
355.8173 2.043869
356.2994 0.2223510
356.7815 1.037354
357.2636 1.280716
357.7458 1.120834
358.2279 1.163101
358.7100 1.505875
359.1921 1.827911
359.6742 1.728531
360.1563 1.074570
360.6385 0.8588410
361.1206 1.520981
361.6027 2.177124
362.0848 2.284592
362.5669 1.949432
363.0490 1.635208
363.5312 1.681717
364.0133 2.013870
364.4954 2.000351
364.9775 1.175735
365.4596 0.5790860
365.9417 0.6759030
366.4239 1.044830
366.9060 1.061554
367.3881 0.4738310
367.8702 0.4146730
368.3523 0.9731140
368.8344 0.8718260
369.3166 0.9654080
369.7987 1.244614
370.2808 1.705048
370.7629 2.364258
371.2450 3.211884
371.7271 4.227219
372.2093 5.451767
372.6914 7.019135
373.1735 7.961517
373.6556 7.896988
374.1377 7.632248
374.6198 7.151947
375.1020 6.701248
375.5841 6.736679
376.0662 7.592361
376.5483 9.081940
377.0304 10.30811
377.5125 11.14412
377.9947 11.87259
378.4768 12.32719
378.9589 12.80173
379.4410 13.65454
379.9231 14.98950
380.4052 16.49101
380.8874 17.72043
381.3695 18.68724
381.8516 19.32469
382.3337 19.03525
382.8158 18.89969
383.2979 19.59781
383.7801 21.04276
384.2622 22.62225
384.7443 23.84151
385.2264 24.72513
385.7085 25.62717
386.1906 26.51834
386.6728 27.47951
387.1549 28.74071
387.6370 30.03903
388.1191 30.90033
388.6012 30.99918
389.0833 30.82759
389.5655 31.29916
390.0476 32.54129
390.5297 33.84976
391.0118 35.39529
391.4939 36.66396
391.9760 36.95819
392.4582 36.16241
392.9403 35.52802
393.4224 36.42004
393.9045 38.51945
394.3866 39.84247
394.8687 39.96634
395.3509 39.48413
395.8330 38.43134
396.3151 37.09901
396.7972 36.53053
397.2793 37.73045
397.7614 39.63733
398.2436 40.80086
398.7257 41.17888
399.2078 41.12434
399.6899 40.55280
400.1720 39.77962
400.6541 39.54309
401.1363 40.30200
401.6184 40.79506
402.1005 40.04231
402.5826 38.42632
403.0647 36.98883
403.5468 36.04672
404.0290 35.39041
404.5111 34.75034
404.9932 34.11935
405.4753 33.54477
405.9574 32.92836
406.4395 32.43858
406.9217 32.43886
407.4038 32.88112
407.8859 33.06104
408.3680 32.38785
408.8501 30.92142
409.3322 29.61172
409.8144 28.34941
410.2965 27.32138
410.7786 26.71770
411.2607 26.36801
411.7428 25.94574
412.2249 25.31589
412.7071 24.64270
413.1892 24.28435
413.6713 24.82582
414.1534 24.58374
414.6355 23.03392
415.1176 21.09416
415.5998 19.10727
416.0819 17.29297
416.5640 16.11044
417.0461 16.06909
417.5282 17.20216
418.0103 18.09975
418.4925 18.58260
418.9746 18.94624
419.4567 19.28641
419.9388 19.55830
420.4209 19.64757
420.9030 19.49170
421.3852 19.21231
421.8673 19.10190
422.3494 19.30049
422.8315 19.37906
423.3136 18.91248
423.7957 18.57501
424.2779 18.86201
424.7600 19.74893
425.2421 20.80504
425.7242 21.64706
426.2063 22.29112
426.6884 23.14212
427.1706 24.47577
427.6527 25.59587
428.1348 25.92297
428.6169 25.90854
429.0990 26.26102
429.5811 27.33891
430.0633 28.72462
430.5454 29.93143
431.0275 30.92227
431.5096 31.50027
431.9917 31.33952
432.4738 31.07983
432.9560 31.36417
433.4381 32.15695
433.9202 33.05283
434.4023 34.01317
434.8844 35.01399
435.3665 35.81035
435.8487 36.30902
436.3308 37.00989
436.8129 38.58830
437.2950 40.69962
437.7771 41.87740
438.2592 41.27563
438.7414 40.54208
439.2235 40.64639
439.7056 41.25551
440.1877 41.64922
440.6698 41.59740
441.1519 41.48438
441.6341 41.90326
442.1162 43.13351
442.5983 43.66568
443.0804 42.65472
443.5625 41.64043
444.0446 42.13445
444.5268 43.89886
445.0089 45.29054
445.4910 44.97003
445.9731 43.16542
446.4552 42.15854
446.9373 42.74109
447.4195 43.18195
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