#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:59 +0300 (Thu, 24 May 2018) $
#$Revision: 678 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100020.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100020
loop_
_publ_author_name
'Ghose, S.'
'Wan, C.'
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. II. Stereochemistry of
 copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O Locality:
 Chuquicamata, Chile
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              965
_journal_page_last               974
_journal_paper_doi               10.1107/S0567740874004110
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        R050607
_chemical_formula_sum            'Cu3 H4 I6 O20'
_chemical_name_mineral           Bellingerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.096
_cell_angle_beta                 92.945
_cell_angle_gamma                96.952
_cell_length_a                   7.2560
_cell_length_b                   7.9503
_cell_length_c                   7.8559
_cell_volume                     432.702
_exptl_crystal_density_diffrn    4.897
_cod_original_formula_sum        'Cu3 I6 O20 H4'
_cod_database_code               9007588
_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            R050607.rod
_rod_data_source.block           3500000
_rod_database.code               2100020
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 9007588 COD http://www.crystallography.net/cod/9007588.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
149.9335 0.0000000E+00
150.4157 35.68018
150.8978 29.59131
151.3799 19.30566
151.8620 2.791016
152.3441 87.10498
152.8262 234.1128
153.3084 410.1602
153.7905 623.6309
154.2726 854.7954
154.7547 1099.023
155.2368 1354.523
155.7189 1613.728
156.2011 1892.776
156.6832 2180.895
157.1653 2439.026
157.6474 2676.134
158.1295 2866.457
158.6116 2996.941
159.0938 3060.310
159.5759 3071.148
160.0580 3009.840
160.5401 2893.187
161.0222 2779.391
161.5044 2662.536
161.9865 2579.240
162.4686 2552.053
162.9507 2576.527
163.4328 2662.157
163.9149 2811.226
164.3971 3015.602
164.8792 3260.234
165.3613 3555.507
165.8434 3881.643
166.3255 4222.568
166.8076 4614.859
167.2898 4981.418
167.7719 5310.283
168.2540 5595.541
168.7361 5774.919
169.2182 5820.727
169.7003 5739.899
170.1825 5540.308
170.6646 5175.971
171.1467 4729.397
171.6288 4233.406
172.1109 3699.896
172.5931 3208.198
173.0752 2818.797
173.5573 2537.508
174.0394 2332.057
174.5215 2189.340
175.0036 2109.528
175.4858 2084.304
175.9679 2097.352
176.4500 2129.808
176.9321 2171.740
177.4142 2214.160
177.8963 2245.654
178.3785 2258.347
178.8606 2279.196
179.3427 2326.413
179.8248 2406.376
180.3069 2512.350
180.7890 2638.239
181.2712 2783.013
181.7533 2942.681
182.2354 3130.628
182.7175 3329.856
183.1996 3506.274
183.6818 3664.780
184.1639 3781.114
184.6460 3841.606
185.1281 3843.532
185.6102 3774.556
186.0923 3607.761
186.5745 3362.940
187.0566 3097.159
187.5387 2801.894
188.0208 2514.687
188.5029 2276.194
188.9850 2085.750
189.4672 1923.835
189.9493 1785.763
190.4314 1669.582
190.9135 1563.514
191.3956 1471.856
191.8777 1379.001
192.3599 1255.229
192.8420 1100.796
193.3241 938.3787
193.8062 776.4270
194.2883 614.2266
194.7704 457.5344
195.2526 304.3813
195.7347 160.6797
196.2168 36.32446
196.6989 68.69629
197.1810 155.5544
197.6632 219.4121
198.1453 260.7629
198.6274 305.4985
199.1095 358.0364
199.5916 410.4082
200.0737 446.3860
200.5559 465.6245
201.0380 472.1067
201.5201 466.1487
202.0022 447.0371
202.4843 424.7734
202.9664 401.0059
203.4486 373.4829
203.9307 337.2874
204.4128 293.1440
204.8949 239.6504
205.3770 176.1709
205.8591 102.6123
206.3413 19.15552
206.8234 73.80469
207.3055 177.2903
207.7876 314.4001
208.2697 465.0498
208.7519 624.8191
209.2340 796.1379
209.7161 985.4629
210.1982 1164.501
210.6803 1334.185
211.1624 1491.215
211.6446 1628.678
212.1267 1748.288
212.6088 1841.602
213.0909 1907.273
213.5730 1948.731
214.0551 1946.627
214.5373 1886.352
215.0194 1787.989
215.5015 1704.406
215.9836 1633.007
216.4657 1581.373
216.9478 1550.296
217.4300 1535.856
217.9121 1554.746
218.3942 1608.916
218.8763 1695.864
219.3584 1807.329
219.8405 1937.427
220.3227 2101.304
220.8048 2306.727
221.2869 2559.806
221.7690 2840.993
222.2511 3149.288
222.7333 3484.685
223.2154 3838.950
223.6975 4224.384
224.1796 4614.824
224.6617 5003.906
225.1438 5405.460
225.6260 5769.392
226.1081 6099.119
226.5902 6388.759
227.0723 6613.051
227.5544 6779.698
228.0365 6873.320
228.5187 6882.509
229.0008 6786.358
229.4829 6652.736
229.9650 6456.944
230.4471 6230.135
230.9292 6050.071
231.4114 5909.887
231.8935 5822.999
232.3756 5794.953
232.8577 5825.976
233.3398 5914.294
233.8220 6064.109
234.3041 6270.061
234.7862 6515.454
235.2683 6802.489
235.7504 7124.518
236.2325 7493.069
236.7147 7935.441
237.1968 8340.974
237.6789 8716.072
238.1610 9052.715
238.6431 9338.150
239.1252 9606.486
239.6074 9777.426
240.0895 9822.287
240.5716 9737.542
241.0537 9535.829
241.5358 9203.624
242.0179 8760.951
242.5001 8237.114
242.9822 7588.648
243.4643 6927.836
243.9464 6284.884
244.4285 5643.604
244.9106 5066.265
245.3928 4548.750
245.8749 4092.978
246.3570 3702.871
246.8391 3381.288
247.3212 3120.754
247.8034 2923.517
248.2855 2797.304
248.7676 2700.214
249.2497 2626.564
249.7318 2585.392
250.2139 2591.258
250.6961 2651.718
251.1782 2745.121
251.6603 2866.314
252.1424 3016.013
252.6245 3191.560
253.1066 3398.149
253.5888 3624.276
254.0709 3859.358
254.5530 4102.514
255.0351 4357.793
255.5172 4626.106
255.9993 4911.190
256.4815 5202.925
256.9636 5502.389
257.4457 5801.842
257.9278 6098.577
258.4099 6399.992
258.8921 6687.995
259.3742 6964.363
259.8563 7227.279
260.3384 7472.124
260.8205 7697.194
261.3026 7902.900
261.7848 8092.139
262.2669 8261.517
262.7490 8420.066
263.2311 8562.982
263.7132 8693.445
264.1953 8840.445
264.6775 9002.079
265.1596 9176.638
265.6417 9369.840
266.1238 9589.919
266.6059 9795.871
267.0880 9979.912
267.5702 10143.44
268.0523 10292.95
268.5344 10450.74
269.0165 10551.77
269.4986 10551.46
269.9807 10446.65
270.4629 10252.76
270.9450 9970.521
271.4271 9600.257
271.9092 9146.069
272.3913 8595.772
272.8734 7996.046
273.3556 7366.250
273.8377 6699.818
274.3198 6047.520
274.8019 5400.126
275.2840 4772.869
275.7661 4199.239
276.2483 3682.943
276.7304 3209.369
277.2125 2782.732
277.6946 2401.884
278.1768 2053.881
278.6589 1737.664
279.1410 1454.399
279.6231 1208.711
280.1052 999.5942
280.5873 819.8945
281.0695 671.0493
281.5516 552.1377
282.0337 447.7417
282.5158 356.9922
282.9979 281.6724
283.4800 225.9067
283.9622 189.9546
284.4443 166.8716
284.9264 153.2329
285.4085 149.4863
285.8906 160.7368
286.3727 188.2173
286.8549 225.9336
287.3370 264.6353
287.8191 304.7598
288.3012 356.4917
288.7833 422.5649
289.2654 502.5039
289.7476 596.8149
290.2297 705.7251
290.7118 827.3359
291.1939 961.0171
291.6760 1105.464
292.1581 1260.097
292.6403 1425.216
293.1224 1599.800
293.6045 1785.470
294.0866 1980.670
294.5687 2188.295
295.0508 2417.661
295.5330 2663.483
296.0151 2903.744
296.4972 3139.360
296.9793 3364.602
297.4614 3567.021
297.9435 3747.920
298.4257 3901.489
298.9078 4026.047
299.3899 4119.384
299.8720 4172.259
300.3541 4180.739
300.8362 4154.928
301.3184 4099.251
301.8005 4017.162
302.2826 3925.281
302.7647 3817.930
303.2469 3711.312
303.7290 3625.857
304.2111 3564.638
304.6932 3525.760
305.1753 3502.361
305.6574 3500.023
306.1396 3533.328
306.6217 3609.703
307.1038 3725.515
307.5859 3875.343
308.0680 4059.589
308.5501 4283.416
309.0323 4550.898
309.5144 4860.763
309.9965 5209.524
310.4786 5591.283
310.9607 6018.793
311.4428 6512.236
311.9250 7072.586
312.4071 7674.285
312.8892 8295.275
313.3713 8937.053
313.8534 9606.517
314.3355 10339.01
314.8177 11060.72
315.2998 11761.11
315.7819 12426.81
316.2640 13006.58
316.7461 13522.07
317.2282 13909.66
317.7104 14128.11
318.1925 14165.84
318.6746 14031.51
319.1567 13695.18
319.6388 13183.24
320.1209 12575.24
320.6031 11819.28
321.0852 11030.45
321.5673 10252.60
322.0494 9473.084
322.5315 8757.979
323.0136 8120.552
323.4958 7555.841
323.9779 7055.762
324.4600 6623.990
324.9421 6250.500
325.4242 5936.723
325.9064 5681.146
326.3885 5481.332
326.8706 5335.057
327.3527 5245.842
327.8348 5214.875
328.3170 5262.617
328.7991 5347.577
329.2812 5466.665
329.7633 5620.458
330.2454 5797.007
330.7275 6000.005
331.2097 6220.435
331.6918 6452.840
332.1739 6709.147
332.6560 6960.259
333.1381 7207.153
333.6202 7445.838
334.1024 7651.355
334.5845 7834.431
335.0666 7965.215
335.5487 8028.972
336.0308 8025.803
336.5129 7952.473
336.9951 7795.409
337.4772 7578.354
337.9593 7338.021
338.4414 7069.713
338.9235 6790.399
339.4056 6494.267
339.8878 6180.219
340.3699 5903.031
340.8520 5661.764
341.3341 5457.496
341.8162 5280.167
342.2983 5129.704
342.7805 5023.183
343.2626 4972.796
343.7447 4971.472
344.2268 4986.155
344.7089 5015.887
345.1910 5066.244
345.6732 5146.354
346.1553 5254.287
346.6374 5370.577
347.1195 5496.497
347.6016 5623.828
348.0837 5739.929
348.5659 5845.425
349.0480 5935.306
349.5301 6008.923
350.0122 6064.724
350.4944 6097.587
350.9765 6108.771
351.4586 6091.978
351.9407 6038.651
352.4228 5950.746
352.9049 5834.348
353.3871 5693.053
353.8692 5524.829
354.3513 5321.081
354.8334 5080.257
355.3155 4827.152
355.7976 4574.101
356.2798 4320.642
356.7619 4062.985
357.2440 3772.901
357.7261 3502.354
358.2082 3292.806
358.6903 3139.991
359.1725 3014.711
359.6546 2907.582
360.1367 2817.168
360.6188 2744.921
361.1009 2701.975
361.5830 2661.704
362.0652 2626.593
362.5473 2586.785
363.0294 2517.899
363.5115 2422.418
363.9936 2287.130
364.4757 2101.127
364.9579 1848.877
365.4400 1588.489
365.9221 1317.267
366.4042 1047.220
366.8863 793.5503
367.3684 549.6802
367.8506 331.3125
368.3327 142.2600
368.8148 15.67188
369.2969 150.3423
369.7790 261.5532
370.2611 351.4121
370.7433 421.2151
371.2254 465.1619
371.7075 495.8896
372.1896 513.5574
372.6717 519.5222
373.1538 515.6538
373.6360 497.9985
374.1181 475.7466
374.6002 455.7109
375.0823 444.2993
375.5645 413.7764
376.0466 360.5923
376.5287 292.5046
377.0108 221.6489
377.4929 149.6104
377.9750 72.64111
378.4572 9.588867
378.9393 97.23047
379.4214 189.3613
379.9035 283.9800
380.3856 387.7600
380.8677 507.4900
381.3499 642.9531
381.8320 784.6731
382.3141 929.7456
382.7962 1083.163
383.2783 1258.806
383.7604 1455.774
384.2426 1668.386
384.7247 1894.760
385.2068 2133.440
385.6889 2392.768
386.1710 2673.048
386.6531 2968.892
387.1353 3279.302
387.6174 3602.991
388.0995 3938.322
388.5816 4289.946
389.0637 4652.806
389.5458 5023.359
390.0280 5404.897
390.5101 5805.253
390.9922 6233.564
391.4743 6681.165
391.9564 7143.521
392.4385 7608.734
392.9207 8098.077
393.4028 8619.150
393.8849 9168.291
394.3670 9739.830
394.8491 10327.53
395.3312 10934.36
395.8134 11563.68
396.2955 12220.52
396.7776 12889.15
397.2597 13574.39
397.7418 14259.51
398.2239 14928.18
398.7061 15597.82
399.1882 16224.51
399.6703 16814.25
400.1524 17371.05
400.6346 17821.85
401.1167 18169.88
401.5988 18405.27
402.0809 18523.52
402.5630 18544.89
403.0451 18406.49
403.5273 18093.11
404.0094 17622.10
404.4915 17032.99
404.9736 16297.79
405.4557 15506.97
405.9378 14686.28
406.4200 13834.22
406.9021 12960.71
407.3842 12063.33
407.8663 11171.76
408.3484 10323.79
408.8305 9516.390
409.3127 8748.983
409.7948 8021.509
410.2769 7334.173
410.7590 6696.384
411.2411 6105.738
411.7232 5564.757
412.2054 5073.141
412.6875 4623.391
413.1696 4214.771
413.6517 3844.006
414.1338 3501.974
414.6159 3182.578
415.0981 2885.952
415.5802 2615.794
416.0623 2378.066
416.5444 2166.454
417.0265 1986.910
417.5086 1837.201
417.9908 1697.514
418.4729 1556.409
418.9550 1419.240
419.4371 1294.195
419.9192 1182.206
420.4013 1082.109
420.8835 997.4863
421.3656 925.2671
421.8477 854.3181
422.3298 776.1321
422.8119 703.9626
423.2940 644.1528
423.7762 601.5552
424.2583 560.3245
424.7404 515.2131
425.2225 472.8931
425.7047 439.4885
426.1868 420.9075
426.6689 402.0667
427.1510 377.5901
427.6331 347.5898
428.1152 309.0098
428.5974 257.8408
429.0795 207.0862
429.5616 165.4954
430.0437 137.2598
430.5258 104.8818
431.0079 66.36597
431.4901 27.22070
431.9722 3.514160
432.4543 25.48120
432.9364 45.27075
433.4185 64.02588
433.9006 79.91455
434.3828 89.93384
434.8649 93.83960
435.3470 92.49438
435.8291 87.19189
436.3112 77.05151
436.7933 60.56250
437.2755 39.79614
437.7576 15.41504
438.2397 15.73901
438.7218 51.70825
439.2039 85.83911
439.6860 109.1692
440.1682 132.0491
440.6503 164.7822
441.1324 208.3706
441.6145 257.0276
442.0966 312.2871
442.5787 368.7361
443.0609 420.4541
443.5430 454.9792
444.0251 495.6716
444.5072 556.0020
444.9893 630.2717
445.4714 698.4885
445.9536 741.3704
446.4357 790.0791
446.9178 860.0686
447.3999 961.9990
447.8820 1059.329
448.3641 1146.781
448.8463 1232.277
449.3284 1325.901
449.8105 1429.848
450.2926 1536.441
450.7747 1644.540
451.2569 1754.710
451.7390 1865.730
452.2211 1976.508
452.7032 2093.502
453.1853 2220.350
453.6674 2358.225
454.1496 2503.164
454.6317 2657.162
455.1138 2814.980
455.5959 2962.947
456.0780 3103.898
456.5602 3256.423
457.0423 3429.508
457.5244 3616.191
458.0065 3803.890
458.4886 3991.988
458.9707 4191.823
459.4529 4405.361
459.9350 4637.526
460.4171 4887.053
460.8992 5156.488
461.3813 5448.697
461.8634 5766.755
462.3456 6110.743
462.8277 6473.612
463.3098 6860.084
463.7919 7263.522
464.2740 7679.031
464.7561 8107.230
465.2383 8558.039
465.7204 9036.176
466.2025 9536.965
466.6846 10052.59
467.1667 10574.02
467.6488 11121.05
468.1310 11709.72
468.6131 12322.38
469.0952 12946.06
469.5773 13581.09
470.0594 14223.92
470.5415 14882.09
471.0237 15552.43
471.5058 16223.78
471.9879 16901.60
472.4700 17571.07
472.9521 18218.23
473.4342 18846.79
473.9164 19442.60
474.3985 20016.29
474.8806 20545.35
475.3627 21003.78
475.8448 21390.73
476.3270 21698.65
476.8091 21935.88
477.2912 22085.03
477.7733 22106.63
478.2554 22001.97
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1302.676 0.0000000E+00
