#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:01:09 +0300 (Thu, 26 Apr 2018) $
#$Revision: 603 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000142.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_1000142
loop_
_publ_author_name
'Sakai, S.'
'Yoshiasa, A.'
'Sugiyama, K.'
'Miyawaki, R.'
_publ_section_title
;
 Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              125
_journal_page_last               131
_journal_paper_doi               10.2465/jmps.080430
_journal_volume                  104
_journal_year                    2009
_chemical_compound_source        'Higgins mine, Arizona, USA'
_chemical_formula_sum            'As Ca Cu0.96 H Mg0.04 O5'
_chemical_name_mineral           Conichalcite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3849
_cell_length_b                   5.8379
_cell_length_c                   9.1937
_cell_volume                     396.362
_exptl_crystal_density_diffrn    4.323
_cod_original_formula_sum        'Ca (Cu.96 Mg.04) As O5 H'
_cod_database_code               9014848
_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            R120017.rod
_rod_data_source.block           3500000
_rod_database.code               1000142
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 9014848 COD http://www.crystallography.net/cod/9014848.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
94.01410 0.0000000E+00
94.49622 2.698425
94.97833 3.938507
95.46045 4.718964
95.94257 4.782135
96.42468 5.515747
96.90680 7.539612
97.38892 9.636444
97.87103 10.85873
98.35315 11.79535
98.83527 10.70264
99.31738 8.261353
99.79950 4.895172
100.2816 2.273987
100.7637 1.209808
101.2458 0.8881840
101.7280 0.5013730
102.2101 0.2496190
102.6922 0.8077550
103.1743 0.2513280
103.6564 1.225311
104.1385 3.565872
104.6207 7.185349
105.1028 11.73076
105.5849 16.16629
106.0670 20.35428
106.5491 23.98787
107.0313 26.75578
107.5134 28.52422
107.9955 29.88773
108.4776 31.40965
108.9597 33.11465
109.4418 34.80875
109.9240 35.72044
110.4061 36.93524
110.8882 39.48514
111.3703 43.82129
111.8524 49.31422
112.3345 54.32961
112.8167 58.25743
113.2988 62.95602
113.7809 69.41245
114.2630 76.93683
114.7451 84.07596
115.2272 89.59349
115.7094 93.64996
116.1915 98.20877
116.6736 104.3737
117.1557 110.3977
117.6378 115.4699
118.1199 119.1041
118.6021 122.4577
119.0842 126.2719
119.5663 130.5096
120.0484 134.4174
120.5305 137.8671
121.0126 141.1375
121.4948 144.7369
121.9769 148.7472
122.4590 152.1738
122.9411 154.5546
123.4232 155.8872
123.9053 154.8972
124.3875 150.6098
124.8696 143.5516
125.3517 135.1791
125.8338 125.1194
126.3159 114.4804
126.7980 104.0202
127.2802 93.71295
127.7623 83.55681
128.2444 73.24812
128.7265 62.72505
129.2086 53.21118
129.6907 45.11043
130.1729 37.86641
130.6550 31.36995
131.1371 25.58226
131.6192 20.49239
132.1013 16.20853
132.5834 13.11336
133.0656 10.04593
133.5477 6.359833
134.0298 3.004517
134.5119 0.8026890
134.9940 2.4260001E-03
135.4761 0.1324160
135.9583 0.2142030
136.4404 0.1628270
136.9225 0.1630100
137.4046 0.3324890
137.8867 0.5537110
138.3688 0.6996310
138.8510 0.7344970
139.3331 0.6022030
139.8152 7.2127998E-02
140.2973 1.274597
140.7794 2.356567
141.2615 2.589813
141.7437 2.116257
142.2258 1.598373
142.7079 1.459686
143.1900 1.432480
143.6721 0.9780580
144.1542 0.1036380
144.6364 1.400696
145.1185 2.462646
145.6006 3.224045
146.0827 4.150070
146.5648 5.965805
147.0469 7.928284
147.5291 9.179291
148.0112 9.214188
148.4933 8.581833
148.9754 8.475418
149.4575 8.962433
149.9396 9.954773
150.4218 11.56357
150.9039 13.52168
151.3860 15.52821
151.8681 18.08142
152.3502 20.51233
152.8323 22.35817
153.3145 22.56152
153.7966 23.18843
154.2787 24.83232
154.7608 27.23132
155.2429 29.83647
155.7250 32.26120
156.2072 34.50131
156.6893 36.45967
157.1714 37.77954
157.6535 39.20453
158.1356 41.20784
158.6177 43.69073
159.0999 46.10338
159.5820 47.87689
160.0641 48.85522
160.5462 50.24554
161.0283 52.69720
161.5104 55.21022
161.9926 57.24218
162.4747 58.70723
162.9568 59.29849
163.4389 58.24350
163.9210 55.64597
164.4031 53.55493
164.8853 52.86075
165.3674 52.71324
165.8495 51.93085
166.3316 50.31361
166.8137 48.09952
167.2958 45.19685
167.7780 41.79706
168.2601 38.68237
168.7422 36.33780
169.2243 34.60538
169.7064 32.88574
170.1885 30.93918
170.6707 29.26820
171.1528 28.13173
171.6349 27.49432
172.1170 27.16956
172.5991 27.10342
173.0812 27.31090
173.5634 27.46341
174.0455 27.35545
174.5276 27.34716
175.0097 27.63297
175.4918 28.18733
175.9739 28.84197
176.4561 29.42264
176.9382 29.91528
177.4203 30.40294
177.9024 30.80508
178.3845 31.27047
178.8666 31.90864
179.3488 32.70117
179.8309 33.51761
180.3130 34.21709
180.7951 34.72395
181.2772 35.29309
181.7593 35.98386
182.2415 36.68979
182.7236 37.37152
183.2057 38.01764
183.6878 38.61445
184.1699 39.09118
184.6520 39.15802
185.1342 39.38914
185.6163 40.13911
186.0984 40.97212
186.5805 41.37971
187.0626 41.20938
187.5447 40.72121
188.0269 40.17368
188.5090 39.27772
188.9911 39.03770
189.4732 40.41971
189.9553 42.56778
190.4374 43.82990
190.9196 43.55113
191.4017 42.68105
191.8838 42.55155
192.3659 43.12052
192.8480 43.90750
193.3301 44.82388
193.8123 45.84993
194.2944 46.95575
194.7765 48.21341
195.2586 49.48219
195.7407 50.56221
196.2228 51.44279
196.7050 52.39296
197.1871 53.70234
197.6692 55.32745
198.1513 56.67783
198.6334 57.51334
199.1155 58.23424
199.5977 59.01326
200.0798 59.88947
200.5619 61.00794
201.0440 62.71476
201.5261 65.20959
202.0082 67.30353
202.4904 68.31030
202.9725 69.19286
203.4546 70.61314
203.9367 72.57210
204.4188 74.41104
204.9009 75.26007
205.3831 74.84462
205.8652 74.17386
206.3473 73.39915
206.8294 72.32941
207.3115 70.76539
207.7936 68.72498
208.2758 66.44539
208.7579 64.29298
209.2400 62.49471
209.7221 60.26662
210.2042 57.17816
210.6863 54.04431
211.1685 51.44183
211.6506 49.46732
212.1327 47.77698
212.6148 45.86926
213.0969 43.72440
213.5790 41.37882
214.0612 38.33196
214.5433 35.40123
215.0254 33.29716
215.5075 32.17726
215.9896 31.52554
216.4717 30.64719
216.9539 29.42667
217.4360 28.20985
217.9181 27.00006
218.4002 25.79519
218.8823 24.63294
219.3644 23.52730
219.8466 22.32172
220.3287 20.68502
220.8108 18.44437
221.2929 16.72321
221.7750 16.08557
222.2571 15.88997
222.7393 15.26574
223.2214 13.97869
223.7035 12.59932
224.1856 12.06001
224.6677 12.29668
225.1498 12.05358
225.6320 10.45753
226.1141 8.317299
226.5962 7.038734
227.0783 7.008743
227.5604 7.365211
228.0425 7.334274
228.5247 6.985832
229.0068 6.498505
229.4889 5.870789
229.9710 5.163750
230.4531 4.503471
230.9352 3.908920
231.4174 3.359787
231.8995 2.848465
232.3816 2.368004
232.8637 1.904449
233.3458 1.464241
233.8279 1.037964
234.3101 0.5533520
234.7922 0.1032710
235.2743 0.6064990
235.7564 0.8260650
236.2385 0.7873540
236.7206 0.5096050
237.2028 0.1796420
237.6849 1.109276
238.1670 1.534538
238.6491 1.175186
239.1312 0.6923140
239.6133 0.4770810
240.0955 0.3349690
240.5776 0.1357420
241.0597 1.363182
241.5418 3.057426
242.0239 3.720360
242.5060 2.496368
242.9882 1.359383
243.4703 0.8281330
243.9524 0.7552950
244.4345 0.9705200
244.9166 1.448868
245.3987 2.057365
245.8809 2.120918
246.3630 0.9917140
246.8451 0.1379700
247.3272 0.1082000
247.8093 6.6742003E-02
248.2914 0.4887700
248.7736 1.092346
249.2557 1.761269
249.7378 2.011543
250.2199 1.498680
250.7020 0.9532930
251.1841 0.3284230
251.6663 0.2287060
252.1484 0.5052950
252.6305 0.3952560
253.1126 4.0679999E-02
253.5947 0.1142200
254.0768 4.5311000E-02
254.5590 0.2985840
255.0411 0.6924360
255.5232 1.148132
256.0053 1.564133
256.4874 1.897301
256.9695 2.218704
257.4517 2.699921
257.9338 3.810249
258.4159 4.501167
258.8980 4.256477
259.3801 3.809586
259.8622 4.012932
260.3444 5.150101
260.8265 6.742867
261.3086 7.898605
261.7907 8.425369
262.2728 8.754913
262.7549 8.513947
263.2371 8.262665
263.7192 8.645493
264.2013 9.820419
264.6834 11.32449
265.1655 12.47481
265.6476 13.06963
266.1298 13.76411
266.6119 14.56989
267.0940 15.48441
267.5761 16.53529
268.0582 17.72647
268.5403 18.95346
269.0225 20.06857
269.5046 21.00772
269.9867 22.19557
270.4688 24.12971
270.9509 26.00963
271.4330 27.01377
271.9152 27.07901
272.3973 26.96449
272.8794 27.46909
273.3615 28.63974
273.8436 29.17206
274.3257 28.41620
274.8079 27.46111
275.2900 27.24828
275.7721 27.78750
276.2542 28.38972
276.7363 28.63178
277.2184 28.45657
277.7006 27.92627
278.1827 26.64378
278.6648 25.32366
279.1469 24.50709
279.6290 24.15450
280.1111 23.84208
280.5933 23.31061
281.0754 22.62887
281.5575 22.06013
282.0396 21.70232
282.5217 21.34975
283.0038 20.87929
283.4860 20.29672
283.9681 19.63631
284.4502 18.86085
284.9323 18.07908
285.4144 17.51910
285.8965 17.29439
286.3787 17.00357
286.8608 16.35135
287.3429 15.43427
287.8250 14.58174
288.3071 13.87341
288.7892 13.32364
289.2714 13.05967
289.7535 13.16404
290.2356 12.93449
290.7177 11.61833
291.1998 9.703697
291.6819 8.552979
292.1641 8.668953
292.6462 9.210045
293.1283 9.277290
293.6104 8.938202
294.0925 8.547058
294.5746 8.162254
295.0568 7.857292
295.5389 7.723686
296.0210 7.776886
296.5031 7.985809
296.9852 8.287560
297.4673 8.709671
297.9495 9.411896
298.4316 10.75948
298.9137 12.23225
299.3958 12.94674
299.8779 12.79353
300.3600 12.81186
300.8422 13.54408
301.3243 14.82967
301.8064 16.55836
302.2885 19.16557
302.7706 21.75289
303.2527 22.89459
303.7349 22.47233
304.2170 22.91962
304.6991 25.86335
305.1812 30.06673
305.6633 33.91564
306.1454 37.18704
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309.5203 57.91557
310.0024 61.15335
310.4845 64.61948
310.9666 68.85380
311.4487 73.65810
311.9308 77.95320
312.4130 81.18100
312.8951 84.31956
313.3772 88.09882
313.8593 92.49482
314.3414 97.37720
314.8235 102.8286
315.3057 108.7184
315.7878 114.8510
316.2699 121.2899
316.7520 127.7068
317.2341 133.6986
317.7162 139.4519
318.1984 145.4387
318.6805 151.8616
319.1626 158.5674
319.6447 165.5474
320.1268 172.9815
320.6089 179.7791
321.0911 184.9896
321.5732 189.2783
322.0553 193.5766
322.5374 198.4898
323.0195 202.8112
323.5016 205.2698
323.9838 205.8781
324.4659 205.3646
324.9480 203.7524
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326.3943 194.3785
326.8765 190.0891
327.3586 185.1391
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328.3228 173.6916
328.8049 167.4184
329.2870 161.0578
329.7692 154.8606
330.2513 148.8418
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332.1797 128.0900
332.6619 122.3397
333.1440 116.9067
333.6261 112.8626
334.1082 109.7764
334.5903 106.7062
335.0724 103.6092
335.5546 100.2704
336.0367 96.23753
336.5188 91.44791
337.0009 86.84763
337.4830 82.96323
337.9651 79.68005
338.4473 76.79386
338.9294 74.47515
339.4115 72.12798
339.8936 69.09351
340.3757 65.51640
340.8578 62.58566
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342.3042 57.97165
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345.6790 43.78688
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347.1254 40.60239
347.6075 39.04162
348.0896 37.42583
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349.0538 35.70370
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385.2126 1.570000
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386.6589 1.355682
387.1411 1.392647
387.6232 1.100227
388.1053 0.5647510
388.5874 5.9951998E-02
389.0695 0.5716710
389.5516 0.8478550
390.0338 0.3330150
390.5159 0.3545070
390.9980 0.6108090
391.4801 0.2720640
391.9622 0.2798540
392.4443 0.5722580
392.9265 0.5714570
393.4086 0.6255190
393.8907 0.7583850
394.3728 0.9806900
394.8549 1.457970
395.3370 2.072052
395.8192 2.397476
396.3013 1.998192
396.7834 1.105515
397.2655 0.4649580
397.7476 9.1193996E-02
398.2297 6.3988000E-02
398.7119 3.8099999E-04
399.1940 0.2581410
399.6761 0.7820050
400.1582 1.771439
400.6403 2.627602
401.1224 2.502792
401.6046 1.473976
402.0867 0.9230650
402.5688 1.618874
403.0509 2.563164
403.5330 2.473999
404.0151 1.334061
404.4973 0.2683720
404.9794 0.1343310
405.4615 0.1721420
405.9436 0.3641890
406.4257 0.7825160
406.9078 1.251068
407.3900 1.683662
407.8721 2.049461
408.3542 2.232697
408.8363 1.847595
409.3184 1.616577
409.8005 2.084274
410.2827 3.116791
410.7648 4.309067
411.2469 5.564888
411.7290 6.716217
412.2111 7.289162
412.6932 7.017105
413.1754 6.929482
413.6575 7.214119
414.1396 7.759163
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415.1038 9.518700
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416.0681 11.14436
416.5502 11.48510
417.0323 12.11783
417.5144 13.52341
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