#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:39 +0300 (Thu, 07 Jun 2018) $
#$Revision: 928 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000400.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_1000400
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 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            R060007.rod
_rod_data_source.block           3500000
_rod_database.code               1000400
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
156.0814 0.0000000E+00
156.5635 2.415527
157.0456 3.670288
157.5278 5.971313
158.0099 7.003662
158.4920 3.366455
158.9741 1.222900
159.4562 0.8913570
159.9383 0.5642090
160.4205 2.8320000E-02
160.9026 0.4492190
161.3847 2.004761
161.8668 2.592285
162.3489 1.097168
162.8310 1.601440
163.3132 4.485352
163.7953 6.660156
164.2774 9.320801
164.7595 13.23206
165.2416 18.59082
165.7237 24.08936
166.2059 28.76013
166.6880 33.20935
167.1701 38.36731
167.6522 43.93323
168.1343 50.74634
168.6164 59.79248
169.0986 71.61292
169.5807 83.74463
170.0628 94.13452
170.5449 103.6998
171.0270 114.1267
171.5091 126.1051
171.9913 139.4229
172.4734 154.0370
172.9555 170.2008
173.4376 187.0371
173.9197 203.6138
174.4018 220.2666
174.8840 237.8126
175.3661 256.8521
175.8482 276.8365
176.3303 297.0173
176.8124 317.3984
177.2945 337.8209
177.7767 358.3020
178.2588 378.9003
178.7409 399.0120
179.2230 418.7332
179.7051 437.8876
180.1872 455.8945
180.6694 472.7952
181.1515 488.5869
181.6336 501.9210
182.1157 513.2683
182.5978 525.9480
183.0799 544.1733
183.5621 565.8494
184.0442 584.6687
184.5263 598.8663
185.0084 610.6896
185.4905 624.0476
185.9726 638.8416
186.4547 653.9263
186.9369 668.8303
187.4190 683.4656
187.9011 696.7501
188.3832 708.1320
188.8653 718.5525
189.3474 730.5232
189.8296 744.2275
190.3117 757.4879
190.7938 767.7750
191.2759 775.5786
191.7580 784.6863
192.2401 796.3864
192.7223 809.7948
193.2044 822.5203
193.6865 834.6403
194.1686 846.2722
194.6507 857.3870
195.1328 867.9751
195.6150 878.2401
196.0971 888.2148
196.5792 897.7905
197.0613 906.5605
197.5434 914.4341
198.0255 921.7397
198.5077 928.7302
198.9898 935.4431
199.4719 941.2819
199.9540 945.9545
200.4361 949.6177
200.9182 953.2417
201.4004 956.9109
201.8825 960.2961
202.3646 963.3789
202.8467 966.3190
203.3288 967.7413
203.8109 967.4241
204.2931 965.3616
204.7752 961.0354
205.2573 953.9160
205.7394 945.8314
206.2215 939.2301
206.7036 934.9401
207.1858 928.1764
207.6679 917.6741
208.1500 903.6172
208.6321 887.5203
209.1142 868.5886
209.5963 849.2743
210.0785 832.5656
210.5606 819.7710
211.0427 806.8315
211.5248 792.4491
212.0069 776.8267
212.4890 762.5385
212.9712 750.6176
213.4533 739.2776
213.9354 724.0891
214.4175 706.3053
214.8996 690.5492
215.3817 678.2218
215.8639 669.4897
216.3460 659.9104
216.8281 648.7611
217.3102 637.1436
217.7923 626.7577
218.2744 618.0464
218.7566 609.5280
219.2387 601.1001
219.7208 592.6879
220.2029 584.0175
220.6850 575.2604
221.1671 566.1669
221.6493 556.5187
222.1314 545.8091
222.6135 535.5143
223.0956 526.2723
223.5777 517.9851
224.0598 509.9200
224.5420 502.1981
225.0241 494.4861
225.5062 486.3888
225.9883 478.3527
226.4704 469.0305
226.9525 457.8605
227.4347 444.5457
227.9168 432.6624
228.3989 422.5702
228.8810 413.5231
229.3631 405.2253
229.8452 398.7252
230.3274 390.5911
230.8095 379.2112
231.2916 364.3602
231.7737 352.8770
232.2558 346.3623
232.7379 341.5549
233.2201 335.4518
233.7022 328.1234
234.1843 319.3246
234.6664 308.2317
235.1485 294.8859
235.6306 284.0485
236.1128 276.4161
236.5949 270.4227
237.0770 264.6483
237.5591 259.2167
238.0412 253.7638
238.5233 248.1274
239.0055 242.2834
239.4876 237.2560
239.9697 233.6937
240.4518 230.2028
240.9339 225.3899
241.4160 218.1696
241.8982 211.7932
242.3803 206.8584
242.8624 203.3234
243.3445 200.5238
243.8266 198.6396
244.3087 197.2389
244.7909 196.1702
245.2730 196.3035
245.7551 194.8809
246.2372 190.6694
246.7193 184.0017
247.2014 179.7257
247.6836 179.1425
248.1657 179.4061
248.6478 178.4308
249.1299 175.8092
249.6120 172.8407
250.0941 169.9314
250.5762 166.9192
251.0584 162.2560
251.5405 155.1547
252.0226 147.5499
252.5047 140.9149
252.9868 135.6395
253.4689 130.3668
253.9511 124.9688
254.4332 119.4627
254.9153 114.0859
255.3974 108.9966
255.8795 103.8546
256.3617 98.59808
256.8438 93.35602
257.3259 87.55518
257.8080 80.88904
258.2901 73.67712
258.7722 66.91168
259.2544 60.67065
259.7365 54.66815
260.2186 48.50073
260.7007 41.95367
261.1828 36.07678
261.6649 31.15668
262.1471 26.85242
262.6292 21.87659
263.1113 15.83905
263.5934 9.943542
264.0755 4.747742
264.5576 0.1728520
265.0398 3.523132
265.5219 5.978882
266.0040 7.810730
266.4861 10.82800
266.9682 15.77679
267.4503 19.94989
267.9325 21.63245
268.4146 20.06360
268.8967 19.85309
269.3788 21.67297
269.8609 24.16113
270.3430 24.54706
270.8252 22.29993
271.3073 19.71216
271.7894 17.69116
272.2715 16.28833
272.7536 15.08423
273.2357 14.46912
273.7179 13.52026
274.2000 10.54498
274.6821 5.139465
275.1642 0.3707280
275.6463 4.876343
276.1284 8.367065
276.6106 13.52258
277.0927 20.71576
277.5748 28.75348
278.0569 36.02142
278.5390 42.34497
279.0211 49.14868
279.5032 56.69000
279.9854 64.96869
280.4675 74.75830
280.9496 86.31580
281.4317 98.56213
281.9138 110.2971
282.3959 121.4927
282.8781 133.1362
283.3602 145.6752
283.8423 158.8917
284.3244 171.2620
284.8065 182.6586
285.2886 194.3831
285.7708 207.7469
286.2529 222.6743
286.7350 237.9281
287.2171 253.4754
287.6992 269.0724
288.1813 283.5255
288.6635 296.8313
289.1456 310.1066
289.6277 324.2733
290.1098 339.2704
290.5919 354.3520
291.0740 369.7441
291.5562 384.8757
292.0383 397.6587
292.5204 408.3401
293.0025 419.8518
293.4846 435.4854
293.9667 453.8291
294.4489 469.6885
294.9310 481.8083
295.4131 492.6087
295.8952 505.6915
296.3773 520.7009
296.8594 535.5309
297.3416 548.9294
297.8237 561.4784
298.3058 574.3361
298.7879 587.7453
299.2700 601.1821
299.7521 613.3995
300.2343 624.8946
300.7164 636.6584
301.1985 649.6267
301.6806 663.1540
302.1627 676.1527
302.6448 688.6986
303.1270 700.5629
303.6091 712.2418
304.0912 723.2500
304.5733 732.9507
305.0554 740.2983
305.5375 746.6767
306.0197 753.8707
306.5018 761.7292
306.9839 768.5963
307.4660 772.3687
307.9481 774.4482
308.4302 776.8220
308.9124 781.5428
309.3945 785.7153
309.8766 786.2789
310.3587 783.8016
310.8408 781.4736
311.3229 782.8397
311.8051 784.6661
312.2872 783.4482
312.7693 776.6841
313.2514 769.4359
313.7335 765.1249
314.2156 762.9043
314.6978 759.9082
315.1799 754.7614
315.6620 748.3376
316.1441 741.2098
316.6262 733.1580
317.1083 725.1115
317.5905 717.4162
318.0726 709.9795
318.5547 702.5538
319.0368 695.8663
319.5189 688.5303
320.0010 679.8570
320.4832 669.5702
320.9653 658.7456
321.4474 647.6599
321.9295 636.1917
322.4116 624.1307
322.8937 611.1350
323.3759 597.8883
323.8580 584.8129
324.3401 572.0068
324.8222 557.9966
325.3043 541.5704
325.7864 524.6675
326.2686 508.8673
326.7507 495.4984
327.2328 481.6038
327.7149 466.3226
328.1970 450.0516
328.6791 434.6892
329.1613 420.9004
329.6434 407.6143
330.1255 394.3248
330.6076 381.5226
331.0897 367.8777
331.5718 352.4988
332.0540 336.4303
332.5361 322.4204
333.0182 311.5894
333.5003 301.0723
333.9824 289.5927
334.4645 276.3141
334.9467 264.5161
335.4288 254.7374
335.9109 246.0813
336.3930 237.2559
336.8751 227.7777
337.3572 219.0720
337.8394 211.5885
338.3215 205.4124
338.8036 199.4680
339.2857 194.0470
339.7678 188.3265
340.2499 180.7408
340.7321 170.8488
341.2142 162.5226
341.6963 157.0219
342.1784 153.7689
342.6605 150.2731
343.1426 146.5291
343.6248 142.6488
344.1069 138.6437
344.5890 134.5674
345.0711 130.7622
345.5532 127.4641
346.0353 124.2444
346.5175 119.8906
346.9996 114.3953
347.4817 109.5940
347.9638 107.3911
348.4459 106.9095
348.9280 104.8435
349.4102 100.8027
349.8923 95.85376
350.3744 91.50208
350.8565 87.51514
351.3386 82.85779
351.8207 76.07007
352.3029 68.69226
352.7850 63.84302
353.2671 61.56763
353.7492 58.70618
354.2313 51.16553
354.7134 41.35291
355.1956 33.41736
355.6777 29.59375
356.1598 27.53113
356.6419 25.36890
357.1240 23.11877
357.6061 20.80981
358.0883 18.67017
358.5704 16.38782
359.0525 13.64490
359.5346 10.23145
360.0167 6.606445
360.4988 2.392822
360.9810 1.849243
361.4631 4.840576
361.9452 4.478516
362.4273 3.928711
362.9094 5.334961
363.3915 9.535889
363.8737 12.93335
364.3558 14.30090
364.8379 14.25220
365.3200 13.48608
365.8021 10.55713
366.2842 8.498535
366.7664 8.926270
367.2485 11.88110
367.7306 13.31348
368.2127 11.54993
368.6948 8.837524
369.1769 6.643433
369.6591 5.894775
370.1412 4.535034
370.6233 2.246826
371.1054 0.7784420
371.5875 3.800171
372.0696 6.670532
372.5518 9.665283
373.0339 12.78381
373.5160 15.62817
373.9981 19.96460
374.4802 26.83362
374.9623 34.41199
375.4445 39.38196
375.9266 40.69775
376.4087 42.44641
376.8908 45.81323
377.3729 50.76941
377.8550 56.37085
378.3372 62.82178
378.8193 69.24048
379.3014 74.23206
379.7835 77.72473
380.2656 82.54272
380.7477 89.59546
381.2299 97.91858
381.7120 105.3444
382.1941 111.7941
382.6762 117.7318
383.1583 122.7510
383.6404 127.3423
384.1226 133.6379
384.6047 142.2628
385.0868 151.0220
385.5689 156.7196
386.0510 160.0795
386.5331 163.9054
387.0153 170.1844
387.4974 177.4983
387.9795 183.8018
388.4616 189.0814
388.9437 194.1862
389.4258 199.8726
389.9080 205.8143
390.3901 211.4078
390.8722 216.0886
391.3543 220.8457
391.8364 226.8887
392.3185 233.6909
392.8007 239.5151
393.2828 242.6057
393.7649 244.9886
394.2470 248.1144
394.7291 252.5872
395.2112 256.7117
395.6934 260.0089
396.1755 262.5295
396.6576 264.3621
397.1397 264.7123
397.6218 265.1172
398.1039 266.3669
398.5861 268.6366
399.0682 269.8889
399.5503 269.2251
400.0324 267.8973
400.5145 266.8492
400.9966 266.5852
401.4788 265.9861
401.9609 265.7000
402.4430 265.1169
402.9251 261.5328
403.4072 252.9189
403.8893 244.3772
404.3714 238.5034
404.8535 236.1737
405.3357 232.5343
405.8178 227.0139
406.2999 220.9819
406.7820 217.0071
407.2641 215.7506
407.7462 212.6104
408.2284 205.5454
408.7105 195.5327
409.1926 186.6925
409.6747 179.0696
410.1568 172.3241
410.6389 166.7642
411.1211 162.1096
411.6032 156.3356
412.0853 148.8450
412.5674 140.6110
413.0495 132.5134
413.5316 124.6003
414.0138 117.3231
414.4959 110.9652
414.9780 105.2771
415.4601 100.0836
415.9422 95.34497
416.4243 90.69678
416.9065 85.41345
417.3886 80.07886
417.8707 75.68494
418.3528 73.22986
418.8349 70.96313
419.3170 67.67773
419.7992 63.75525
420.2813 60.33105
420.7634 56.92383
421.2455 54.41199
421.7276 53.74426
422.2097 56.09009
422.6919 58.26367
423.1740 58.91418
423.6561 59.20361
424.1382 60.78979
424.6203 63.99756
425.1024 68.06433
425.5846 73.22119
426.0667 79.69885
426.5488 85.75464
427.0309 91.03394
427.5130 96.22766
427.9951 101.9934
428.4773 108.3297
428.9594 115.1598
429.4415 122.1422
429.9236 129.5100
430.4057 138.2872
430.8878 149.0348
431.3700 159.2349
431.8521 167.3489
432.3342 173.4331
432.8163 181.0784
433.2984 190.6571
433.7805 200.5941
434.2627 208.8945
434.7448 215.7455
435.2269 222.9733
435.7090 231.3348
436.1911 240.2100
436.6732 248.1619
437.1554 255.2971
437.6375 262.3873
438.1196 270.3369
438.6017 278.4589
439.0838 285.6465
439.5659 291.7783
440.0481 297.1345
440.5302 301.8577
441.0123 305.9822
441.4944 309.5604
441.9765 312.6057
442.4586 315.2554
442.9408 317.2472
443.4229 318.7041
443.9050 320.6643
444.3871 325.0576
444.8692 329.1082
445.3513 330.8126
445.8335 328.2622
446.3156 326.2356
446.7977 326.2885
447.2798 327.2971
447.7619 327.2797
448.2440 325.3501
448.7262 323.1917
449.2083 321.1901
449.6904 319.3494
450.1725 317.2766
450.6546 314.9658
451.1367 312.4711
451.6189 310.1031
452.1010 308.4183
452.5831 304.7474
453.0652 298.3245
453.5473 290.2524
454.0294 282.6014
454.5116 275.3055
454.9937 268.7986
455.4758 264.0427
455.9579 260.4169
456.4400 253.8040
456.9221 243.8611
457.4043 233.5084
457.8864 225.3298
458.3685 218.9613
458.8506 213.3248
459.3327 208.8555
459.8148 203.8992
460.2970 195.8131
460.7791 185.3771
461.2612 175.4491
461.7433 168.2234
462.2254 161.8008
462.7076 154.4703
463.1897 145.9009
463.6718 137.8507
464.1539 132.0419
464.6360 126.9191
465.1181 121.0435
465.6003 112.1321
466.0824 104.4989
466.5645 100.3999
467.0466 98.77209
467.5287 95.52649
468.0108 88.85522
468.4930 81.67712
468.9751 74.77539
469.4572 67.82568
469.9393 62.49231
470.4214 59.81226
470.9035 57.82349
471.3857 54.20593
471.8678 48.17163
472.3499 42.99268
472.8320 39.37195
473.3141 36.85449
473.7962 33.68445
474.2784 29.74158
474.7605 26.09106
475.2426 23.62195
475.7247 22.09399
476.2068 20.03345
476.6889 17.32129
477.1711 14.49585
477.6532 12.14343
478.1353 10.15564
478.6174 8.202026
479.0995 5.982300
479.5816 3.948486
480.0638 3.080688
480.5459 2.979004
481.0280 2.198364
481.5101 1.348022
481.9922 5.129883
482.4743 6.947510
482.9565 6.312012
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1304.965 0.0000000E+00
