#------------------------------------------------------------------------------
#$Date: 2018-04-23 15:09:50 +0300 (Mon, 23 Apr 2018) $
#$Revision: 442 $
#$URL: svn://172.16.1.111/rod/cif/2/00/00/2000000.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_2000000
loop_
_publ_author_name
'Parise, J. B.'
'Hyde, B. G.'
_publ_section_title
;
 The structure of atacamite and its relationship to spinel Locality: Mina
 La Farola, Chile
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1277
_journal_page_last               1280
_journal_paper_doi               10.1107/S0108270186092570
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        R050098
_chemical_formula_sum            'Cl Cu2 H3 O3'
_chemical_name_mineral           Atacamite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.030
_cell_length_b                   6.865
_cell_length_c                   9.120
_cell_volume                     377.531
_exptl_crystal_density_diffrn    3.757
_cod_original_formula_sum        'Cu2 Cl O3 H3'
_cod_database_code               9007718
_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            R050098.rod
_rod_data_source.block           3500000
_rod_database.code               2000000
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 9007718 COD http://www.crystallography.net/cod/9007718.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
90.12158 0.0000000E+00
90.60370 20.90149
91.08582 37.94827
91.56793 34.21948
92.05005 0.2690730
92.53217 6.447784
93.01428 35.93500
93.49640 80.96249
93.97852 102.7386
94.46063 100.2160
94.94275 89.73041
95.42486 83.33371
95.90697 81.18002
96.38909 88.36365
96.87121 113.7292
97.35332 147.7603
97.83544 172.6813
98.31756 181.0853
98.79967 186.4495
99.28179 201.8094
99.76391 226.8315
100.2460 257.3903
100.7281 291.4390
101.2103 327.2331
101.6924 358.0007
102.1745 376.9461
102.6566 398.9584
103.1387 427.0829
103.6208 462.8323
104.1030 499.4776
104.5851 525.7463
105.0672 543.9782
105.5493 547.5195
106.0314 533.2863
106.5135 507.8550
106.9957 477.2703
107.4778 444.4408
107.9599 409.5161
108.4420 379.6332
108.9241 355.9647
109.4062 335.3107
109.8884 311.3661
110.3705 288.0655
110.8526 276.8106
111.3347 290.5486
111.8168 339.0215
112.2989 373.2537
112.7811 380.7804
113.2632 383.3922
113.7453 400.1079
114.2274 435.5960
114.7095 477.2452
115.1916 503.3540
115.6738 508.1945
116.1559 521.5124
116.6380 560.8187
117.1201 614.2337
117.6022 653.8466
118.0843 666.7518
118.5665 662.8936
119.0486 664.3254
119.5307 676.6914
120.0128 682.2787
120.4949 665.0298
120.9770 623.7557
121.4592 576.6814
121.9413 527.5519
122.4234 478.7236
122.9055 432.8734
123.3876 391.8071
123.8697 353.7535
124.3519 313.0268
124.8340 261.3062
125.3161 222.5470
125.7982 211.3564
126.2803 216.0050
126.7624 217.6414
127.2446 201.6361
127.7267 167.8791
128.2088 142.5961
128.6909 129.5803
129.1730 122.4224
129.6551 121.5510
130.1373 130.1620
130.6194 139.9138
131.1015 146.5602
131.5836 155.1074
132.0657 159.5856
132.5478 157.1883
133.0300 153.7125
133.5121 155.7300
133.9942 160.8796
134.4763 166.7310
134.9584 171.2133
135.4405 174.8886
135.9227 182.5935
136.4048 192.3102
136.8869 201.0674
137.3690 211.5374
137.8511 225.7805
138.3332 242.2141
138.8154 256.8749
139.2975 275.8399
139.7796 288.2224
140.2617 282.7524
140.7438 263.1111
141.2259 248.4836
141.7080 252.0879
142.1902 268.8914
142.6723 280.8449
143.1544 280.3617
143.6365 278.9843
144.1186 289.5586
144.6007 314.1266
145.0829 340.9093
145.5650 364.0008
146.0471 383.7984
146.5292 400.1219
147.0113 414.8893
147.4934 426.1805
147.9756 427.5381
148.4577 416.0776
148.9398 399.0227
149.4219 382.9626
149.9040 366.0862
150.3861 342.8756
150.8683 304.4351
151.3504 249.3269
151.8325 206.7574
152.3146 190.8508
152.7967 178.3796
153.2788 159.9122
153.7610 135.1555
154.2431 109.7986
154.7252 90.41504
155.2073 78.04062
155.6894 69.93719
156.1715 66.05075
156.6537 65.49997
157.1358 69.63785
157.6179 78.29865
158.1000 88.08197
158.5821 91.39496
159.0642 83.77017
159.5464 74.51935
160.0285 61.45258
160.5106 47.83154
160.9927 37.00009
161.4748 30.57709
161.9569 27.89935
162.4391 26.76041
162.9212 26.51199
163.4033 28.32898
163.8854 36.33981
164.3675 46.72876
164.8496 51.29559
165.3318 44.10233
165.8139 26.96066
166.2960 15.02423
166.7781 10.42618
167.2602 8.217651
167.7423 8.067017
168.2245 9.212067
168.7066 6.834839
169.1887 5.554382
169.6708 25.64474
170.1529 35.75647
170.6350 29.71527
171.1172 16.24463
171.5993 1.422577
172.0814 15.04956
172.5635 27.60684
173.0456 27.74579
173.5277 19.20291
174.0099 12.11124
174.4920 12.74316
174.9741 16.48724
175.4562 12.74673
175.9383 3.188690
176.4204 19.19888
176.9025 26.05182
177.3847 25.15387
177.8668 21.52747
178.3489 17.22174
178.8310 12.32999
179.3131 7.033569
179.7952 1.721954
180.2774 7.291809
180.7595 3.457336
181.2416 8.695404
181.7237 20.32727
182.2058 23.06839
182.6879 15.96332
183.1701 8.129028
183.6522 4.001038
184.1343 13.33704
184.6164 13.84183
185.0985 5.316132
185.5806 4.832855
186.0628 5.602539
186.5449 8.229218
187.0270 17.20944
187.5091 17.68613
187.9912 14.55679
188.4733 9.671844
188.9555 3.933746
189.4376 0.8856510
189.9197 0.8171690
190.4018 9.161957
190.8839 16.02542
191.3660 17.51544
191.8482 16.39801
192.3303 14.59616
192.8124 12.95789
193.2945 12.21066
193.7766 14.56155
194.2587 26.33530
194.7409 34.26102
195.2230 35.88354
195.7051 33.51324
196.1872 30.00665
196.6693 26.84109
197.1514 23.87973
197.6336 20.36069
198.1157 11.93808
198.5978 7.672668
199.0799 11.32779
199.5620 20.67953
200.0441 31.18475
200.5263 39.87808
201.0084 47.21042
201.4905 57.93030
201.9726 81.69000
202.4547 98.86240
202.9368 97.79028
203.4190 82.00253
203.9011 64.39218
204.3832 53.20312
204.8653 48.65109
205.3474 46.10898
205.8295 46.03796
206.3117 47.38254
206.7938 50.82483
207.2759 55.97482
207.7580 59.28961
208.2401 57.22354
208.7222 50.19238
209.2044 45.24231
209.6865 45.44754
210.1686 46.12549
210.6507 41.18726
211.1328 29.88815
211.6149 20.74893
212.0970 23.33817
212.5792 35.02905
213.0613 43.54883
213.5434 47.35898
214.0255 46.55832
214.5076 38.27072
214.9897 19.75809
215.4719 4.444763
215.9540 5.757294
216.4361 19.76270
216.9182 39.12256
217.4003 71.63565
217.8824 106.1885
218.3646 116.3841
218.8467 88.86890
219.3288 62.10678
219.8109 74.82196
220.2930 114.9306
220.7751 144.4501
221.2573 137.8044
221.7394 105.3275
222.2215 81.39346
222.7036 70.20435
223.1857 65.82687
223.6678 64.46588
224.1500 65.71066
224.6321 68.13483
225.1142 73.28824
225.5963 79.98746
226.0784 79.56604
226.5605 64.59805
227.0427 50.31824
227.5248 45.61319
228.0069 49.38757
228.4890 55.07730
228.9711 57.76370
229.4532 57.58459
229.9354 57.72626
230.4175 57.87430
230.8996 58.73325
231.3817 61.48096
231.8638 65.62241
232.3459 69.05493
232.8281 69.40790
233.3102 66.40729
233.7923 64.27438
234.2744 61.38937
234.7565 60.32474
235.2386 61.77094
235.7208 66.38766
236.2029 75.50348
236.6850 95.15866
237.1671 129.6105
237.6492 144.9937
238.1313 118.6635
238.6135 88.69653
239.0956 68.31134
239.5777 59.33734
240.0598 58.18542
240.5419 62.03485
241.0240 72.23679
241.5062 76.99152
241.9883 69.22260
242.4704 61.14841
242.9525 59.42090
243.4346 63.36700
243.9167 68.10135
244.3989 67.02100
244.8810 55.74481
245.3631 51.94305
245.8452 63.97012
246.3273 76.21866
246.8094 80.34177
247.2915 75.77805
247.7737 68.09595
248.2558 63.54581
248.7379 62.69183
249.2200 61.75818
249.7021 60.25528
250.1842 59.08652
250.6664 57.90695
251.1485 57.18472
251.6306 58.51532
252.1127 63.81097
252.5948 73.60147
253.0770 86.06079
253.5591 111.1074
254.0412 130.8629
254.5233 131.3952
255.0054 113.6888
255.4875 91.69083
255.9697 82.21884
256.4518 90.59399
256.9339 96.72452
257.4160 99.94266
257.8981 100.4408
258.3802 97.31744
258.8624 91.56964
259.3445 87.25476
259.8266 89.94421
260.3087 103.8580
260.7908 110.6555
261.2729 107.2746
261.7551 101.7418
262.2372 96.56085
262.7193 90.80023
263.2014 86.10495
263.6835 82.84833
264.1656 80.91629
264.6477 81.41641
265.1299 88.08020
265.6120 93.47488
266.0941 93.92258
266.5762 89.05307
267.0583 79.95093
267.5404 66.36951
268.0226 44.48145
268.5047 35.89874
268.9868 50.82532
269.4689 67.63815
269.9510 75.46686
270.4331 73.83026
270.9153 66.52673
271.3974 55.96471
271.8795 39.41379
272.3616 35.06207
272.8437 54.66888
273.3258 73.27409
273.8080 77.91272
274.2901 69.56166
274.7722 57.33372
275.2543 48.61220
275.7364 43.55411
276.2185 39.01077
276.7007 37.27786
277.1828 34.02530
277.6649 24.25912
278.1470 10.32547
278.6291 5.9264999E-02
279.1112 0.7361600
279.5934 13.42638
280.0755 23.19250
280.5576 29.91312
281.0397 34.52094
281.5218 37.49034
282.0039 38.64340
282.4861 36.42479
282.9682 28.47672
283.4503 14.50427
283.9324 13.48738
284.4145 43.12514
284.8966 65.83737
285.3788 64.69460
285.8609 45.91534
286.3430 24.78981
286.8251 11.48291
287.3072 5.687027
287.7893 3.408112
288.2715 7.312027
288.7536 11.52858
289.2357 15.54579
289.7178 18.67825
290.1999 19.83287
290.6820 18.19826
291.1642 14.18384
291.6463 10.52254
292.1284 7.243820
292.6105 4.303986
293.0926 0.3567200
293.5747 4.311798
294.0569 2.593842
294.5390 7.983047
295.0211 23.96320
295.5032 30.95905
295.9853 21.05714
296.4674 10.61414
296.9496 4.293625
297.4317 17.26283
297.9138 18.11885
298.3959 2.100067
298.8780 23.39194
299.3601 37.57959
299.8423 26.22813
300.3244 20.70746
300.8065 27.61145
301.2886 38.54170
301.7707 44.92435
302.2528 43.60138
302.7350 37.37225
303.2171 31.93542
303.6992 28.79416
304.1813 24.05789
304.6634 14.99817
305.1455 5.965958
305.6277 0.5953670
306.1098 0.1513370
306.5919 2.291656
307.0740 6.131058
307.5561 13.65521
308.0382 17.74289
308.5204 16.36273
309.0025 13.58629
309.4846 11.70532
309.9667 11.27762
310.4488 11.98460
310.9309 13.78989
311.4131 17.77979
311.8952 19.29692
312.3773 18.42525
312.8594 15.43938
313.3415 7.743683
313.8236 2.969635
314.3058 10.71136
314.7879 8.629196
315.2700 5.173447
315.7521 14.86430
316.2342 17.95557
316.7163 19.31146
317.1985 21.81677
317.6806 24.20792
318.1627 22.15196
318.6448 10.03355
319.1269 11.51703
319.6090 19.24728
320.0912 5.939102
320.5733 25.50906
321.0554 25.31149
321.5375 12.77943
322.0196 1.715622
322.5017 0.7948610
322.9839 7.960434
323.4660 13.35397
323.9481 17.87361
324.4302 18.91206
324.9123 13.38885
325.3944 5.190155
325.8766 1.665848
326.3587 5.860626
326.8408 6.045700
327.3229 2.935455
327.8050 28.90941
328.2871 47.23135
328.7693 48.47221
329.2514 42.45746
329.7335 38.18896
330.2156 38.76459
330.6977 39.46753
331.1798 31.11723
331.6620 9.766312
332.1441 4.590179
332.6262 3.960114
333.1083 3.059631
333.5904 13.39487
334.0725 26.24307
334.5546 37.44849
335.0367 42.09933
335.5189 39.93100
336.0010 37.31956
336.4831 34.16994
336.9652 31.71786
337.4473 31.14775
337.9294 32.14410
338.4116 32.93365
338.8937 30.46414
339.3758 25.99547
339.8579 27.65883
340.3400 40.24515
340.8221 52.74863
341.3043 57.88121
341.7864 56.86865
342.2685 53.30186
342.7506 45.87619
343.2327 37.50656
343.7148 34.95076
344.1970 39.50040
344.6791 46.23262
345.1612 53.23895
345.6433 60.02124
346.1254 65.49886
346.6075 68.95580
347.0897 71.22714
347.5718 73.08829
348.0539 74.51900
348.5360 75.75912
349.0181 76.28854
349.5002 76.97601
349.9824 79.35568
350.4645 82.85365
350.9466 88.86618
351.4287 103.8228
351.9108 124.3100
352.3929 131.9914
352.8751 114.8710
353.3572 85.72702
353.8393 70.20047
354.3214 70.63901
354.8035 74.88481
355.2856 79.44330
355.7678 85.12918
356.2499 95.63162
356.7320 112.4278
357.2141 125.6967
357.6962 117.7172
358.1783 80.50000
358.6605 57.68613
359.1426 63.78709
359.6247 80.94861
360.1068 93.95148
360.5889 100.0297
361.0710 101.2456
361.5532 98.11346
362.0353 89.52097
362.5174 79.28946
362.9995 57.98289
363.4816 43.34625
363.9637 50.90511
364.4459 75.34229
364.9280 98.25537
365.4101 106.7751
365.8922 101.7019
366.3743 92.64264
366.8564 73.36763
367.3386 57.35449
367.8207 46.50336
368.3028 41.43878
368.7849 44.62167
369.2670 55.81680
369.7491 71.49341
370.2313 79.27017
370.7134 73.76799
371.1955 67.50266
371.6776 59.35240
372.1597 51.29716
372.6418 47.00667
373.1240 47.35971
373.6061 48.01379
374.0882 42.74586
374.5703 26.11537
375.0524 17.25847
375.5345 24.09691
376.0167 32.67734
376.4988 35.48158
376.9809 31.77332
377.4630 26.80226
377.9451 25.80310
378.4272 27.51834
378.9094 32.92216
379.3915 49.88690
379.8736 59.91217
380.3557 50.07539
380.8378 29.37067
381.3199 14.60521
381.8021 15.74290
382.2842 27.23610
382.7663 37.15300
383.2484 45.36737
383.7305 52.08514
384.2126 57.68253
384.6948 61.91148
385.1769 63.68271
385.6590 61.04909
386.1411 59.11079
386.6232 64.72272
387.1053 77.31523
387.5875 87.20624
388.0696 91.16428
388.5517 91.32349
389.0338 91.35486
389.5159 91.60458
389.9980 87.98709
390.4802 77.30933
390.9623 62.61830
391.4444 46.95445
391.9265 29.23669
392.4086 17.90967
392.8907 25.88068
393.3729 52.03874
393.8550 71.19157
394.3371 76.53708
394.8192 76.07333
395.3013 76.38388
395.7834 77.49023
396.2656 75.85959
396.7477 68.32660
397.2298 55.91928
397.7119 46.85333
398.1940 41.57809
398.6761 38.54242
399.1583 39.72047
399.6404 42.37674
400.1225 40.94919
400.6046 32.83737
401.0867 22.61003
401.5688 18.07742
402.0510 22.61101
402.5331 27.75089
403.0152 35.93951
403.4973 43.56470
403.9794 46.43793
404.4615 44.60042
404.9436 42.81468
405.4258 47.27852
405.9079 60.36447
406.3900 67.71530
406.8721 64.15872
407.3542 60.40904
407.8363 60.70877
408.3185 63.88939
408.8006 66.93825
409.2827 68.37723
409.7648 67.79050
410.2469 62.48917
410.7290 47.80902
411.2112 37.24643
411.6933 35.85110
412.1754 39.52457
412.6575 45.32645
413.1396 52.92200
413.6217 58.90706
414.1039 58.30540
414.5860 50.84694
415.0681 42.90436
415.5502 34.81960
416.0323 27.83427
416.5144 24.04730
416.9966 23.32927
417.4787 20.58704
417.9608 7.328888
418.4429 9.076416
418.9250 8.914291
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