#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:51:10 +0300 (Thu, 24 May 2018) $
#$Revision: 830 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000319.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_1000319
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 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            R120017.rod
_rod_data_source.block           3500000
_rod_database.code               1000319
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
172.9341 0.0000000E+00
173.4163 1.213882
173.8984 0.5571750
174.3805 0.4078600
174.8626 0.3888400
175.3447 0.3780980
175.8268 1.926285
176.3090 4.518593
176.7911 8.062256
177.2732 11.93623
177.7553 14.60403
178.2374 16.44713
178.7195 19.05315
179.2017 23.72240
179.6838 29.31027
180.1659 33.74405
180.6480 36.96648
181.1301 40.28545
181.6122 45.25427
182.0944 51.52882
182.5765 57.81879
183.0586 64.02258
183.5407 69.79683
184.0228 74.64124
184.5049 78.45184
184.9871 81.66528
185.4692 84.66096
185.9513 87.45094
186.4334 89.92824
186.9155 91.79842
187.3976 93.30013
187.8798 95.34789
188.3619 98.03741
188.8440 100.9662
189.3261 103.5278
189.8082 105.8051
190.2903 108.1584
190.7725 110.6257
191.2546 113.3088
191.7367 116.5721
192.2188 120.5048
192.7009 124.7837
193.1830 128.8204
193.6652 132.5776
194.1473 136.3368
194.6294 140.4473
195.1115 144.8345
195.5936 148.3989
196.0757 150.9491
196.5579 152.8960
197.0400 154.7956
197.5221 156.5932
198.0042 158.8844
198.4863 162.1623
198.9684 166.4237
199.4506 170.8251
199.9327 175.3453
200.4148 179.8730
200.8969 184.1268
201.3790 188.1522
201.8611 191.9209
202.3433 195.3854
202.8254 198.5292
203.3075 201.7384
203.7896 205.2527
204.2717 208.6533
204.7538 210.9060
205.2360 212.0146
205.7181 212.6368
206.2002 213.2921
206.6823 213.7302
207.1644 212.9138
207.6465 210.5983
208.1287 206.8895
208.6108 203.4707
209.0929 199.9635
209.5750 195.8015
210.0571 191.1593
210.5392 186.2286
211.0214 181.2406
211.5035 175.9821
211.9856 170.7249
212.4677 165.1685
212.9498 159.2547
213.4319 153.7261
213.9140 149.0854
214.3962 145.9057
214.8783 142.3818
215.3604 138.2234
215.8425 133.6329
216.3246 129.6962
216.8067 126.8001
217.2889 123.7503
217.7710 119.6315
218.2531 113.8718
218.7352 108.7189
219.2173 104.5164
219.6994 101.0052
220.1816 97.13696
220.6637 92.61743
221.1458 88.14275
221.6279 84.22037
222.1100 81.02155
222.5921 77.85315
223.0743 74.69649
223.5564 71.53311
224.0385 68.06593
224.5206 64.10831
225.0027 60.25383
225.4848 56.87007
225.9670 54.06267
226.4491 51.57771
226.9312 49.62846
227.4133 48.01511
227.8954 45.62201
228.3775 42.15666
228.8597 38.39983
229.3418 34.81651
229.8239 31.39247
230.3060 28.19312
230.7881 25.40720
231.2702 22.85411
231.7524 20.17123
232.2345 17.14944
232.7166 14.34779
233.1987 12.18077
233.6808 11.06526
234.1629 9.606873
234.6451 7.483932
235.1272 4.925491
235.6093 2.927078
236.0914 1.686783
236.5735 0.7301940
237.0556 0.1808620
237.5378 1.004974
238.0199 1.888519
238.5020 2.957550
238.9841 4.095566
239.4662 4.756973
239.9483 4.594620
240.4305 4.423019
240.9126 4.722580
241.3947 5.875809
241.8768 6.614197
242.3589 6.599396
242.8410 6.145203
243.3232 6.469650
243.8053 8.269836
244.2874 9.891479
244.7695 10.42398
245.2516 9.281158
245.7337 8.366867
246.2159 7.719696
246.6980 7.342499
247.1801 7.320221
247.6622 7.983810
248.1443 8.505005
248.6264 8.439804
249.1086 7.445633
249.5907 6.717209
250.0728 6.485153
250.5549 6.469437
251.0370 5.862839
251.5191 4.273285
252.0013 2.704285
252.4834 1.622025
252.9655 1.325760
253.4476 0.7599330
253.9297 0.1339720
254.4118 1.271805
254.8940 2.485138
255.3761 3.716446
255.8582 5.132477
256.3403 6.782089
256.8224 8.646103
257.3046 10.81244
257.7867 13.43784
258.2688 16.23528
258.7509 18.59781
259.2330 20.29622
259.7151 21.95744
260.1973 23.75282
260.6794 25.54982
261.1615 27.94554
261.6436 31.16389
262.1257 34.75381
262.6078 37.82768
263.0900 39.93935
263.5721 42.54561
264.0542 46.27066
264.5363 51.40974
265.0184 56.04852
265.5005 60.12498
265.9827 63.88713
266.4648 67.75438
266.9469 71.71211
267.4290 75.72121
267.9111 79.67462
268.3932 83.49936
268.8754 88.35492
269.3575 94.72250
269.8396 101.3631
270.3217 106.3227
270.8038 108.9746
271.2859 112.3512
271.7681 117.6552
272.2502 124.7517
272.7323 130.3568
273.2144 134.0569
273.6965 136.8846
274.1786 139.7305
274.6608 142.5551
275.1429 145.8434
275.6250 150.0231
276.1071 154.8418
276.5892 158.4857
277.0714 160.7314
277.5535 162.2555
278.0356 163.5423
278.5177 164.5640
278.9998 165.6131
279.4819 166.7250
279.9641 167.9161
280.4462 169.2792
280.9283 170.8921
281.4104 172.3586
281.8925 173.4723
282.3746 174.2398
282.8568 174.4665
283.3389 174.1979
283.8210 173.3287
284.3031 171.3796
284.7852 168.2635
285.2673 164.8376
285.7495 161.8230
286.2316 159.1534
286.7137 155.9250
287.1958 152.1035
287.6779 147.5633
288.1600 141.9187
288.6422 135.1589
289.1243 127.7812
289.6064 120.0363
290.0885 111.9476
290.5706 103.8319
291.0527 95.52924
291.5349 87.64828
292.0170 81.45451
292.4991 76.85959
292.9812 72.32874
293.4633 66.90424
293.9454 60.87762
294.4276 55.16275
294.9097 49.78906
295.3918 44.98746
295.8739 41.32088
296.3560 38.61574
296.8381 35.94646
297.3203 32.55487
297.8024 29.06876
298.2845 26.61443
298.7666 25.19562
299.2487 24.61504
299.7308 25.12312
300.2130 26.47552
300.6951 27.83983
301.1772 28.58966
301.6593 29.13252
302.1414 30.12103
302.6235 31.60323
303.1057 33.74673
303.5878 36.72662
304.0699 40.34613
304.5520 44.18378
305.0341 48.08913
305.5162 52.07947
305.9984 55.93875
306.4805 59.80142
306.9626 64.72382
307.4447 71.64627
307.9268 79.87192
308.4089 88.44821
308.8911 97.25412
309.3732 106.3203
309.8553 115.3813
310.3374 124.5456
310.8195 134.4613
311.3016 145.6666
311.7838 157.6066
312.2659 169.8219
312.7480 181.9379
313.2301 194.7517
313.7122 208.7977
314.1943 224.0376
314.6765 240.0864
315.1586 256.5211
315.6407 273.8320
316.1228 292.5840
316.6049 312.8637
317.0870 334.1434
317.5692 356.1588
318.0513 378.8788
318.5334 402.1353
319.0155 426.4729
319.4976 450.8385
319.9797 474.6898
320.4619 498.0036
320.9440 520.7841
321.4261 543.7427
321.9082 565.6528
322.3903 585.2478
322.8724 601.3948
323.3546 616.0555
323.8367 630.5553
324.3188 644.7616
324.8009 655.0120
325.2830 658.6215
325.7651 659.3041
326.2473 659.4457
326.7294 660.7246
327.2115 659.8358
327.6936 655.9603
328.1757 649.5272
328.6578 642.4492
329.1400 633.6035
329.6221 625.1135
330.1042 617.8788
330.5863 613.1168
331.0684 607.5336
331.5505 600.2996
332.0327 592.4106
332.5148 586.2579
332.9969 583.2096
333.4790 579.9883
333.9611 575.2557
334.4432 568.4193
334.9254 562.4626
335.4075 558.3615
335.8896 554.3444
336.3717 547.7018
336.8538 537.3171
337.3359 527.1531
337.8180 518.6554
338.3001 511.8198
338.7823 503.5185
339.2644 493.8284
339.7465 482.7587
340.2286 469.9185
340.7107 455.0860
341.1928 440.4593
341.6750 426.6341
342.1571 413.5071
342.6392 401.6571
343.1213 391.2404
343.6034 380.6959
344.0855 368.1542
344.5677 353.8266
345.0498 340.9029
345.5319 329.9843
346.0140 320.4251
346.4961 311.1419
346.9782 302.1535
347.4604 293.3604
347.9425 284.7903
348.4246 276.4674
348.9067 268.8639
349.3888 262.0916
349.8709 255.3104
350.3531 247.0213
350.8352 237.7699
351.3173 229.5555
351.7994 223.7687
352.2815 219.2639
352.7636 213.9653
353.2458 207.8560
353.7279 201.9910
354.2100 197.4600
354.6921 193.7868
355.1742 190.1616
355.6563 186.3020
356.1385 182.3616
356.6206 178.2807
357.1027 174.1354
357.5848 170.4194
358.0669 167.8278
358.5490 165.5626
359.0312 162.7750
359.5133 158.9196
359.9954 155.3339
360.4775 153.0219
360.9596 151.5315
361.4417 149.9386
361.9239 147.8499
362.4060 145.5572
362.8881 143.1931
363.3702 140.7614
363.8523 138.3272
364.3344 136.0544
364.8166 133.7409
365.2987 131.1337
365.7808 127.7016
366.2629 124.5182
366.7450 122.1040
367.2271 120.4537
367.7093 118.3234
368.1914 115.3099
368.6735 111.9295
369.1556 108.4796
369.6377 104.4152
370.1198 101.0910
370.6020 99.02448
371.0841 97.79761
371.5662 95.86491
372.0483 92.70923
372.5304 89.50555
373.0125 86.80673
373.4947 85.02020
373.9768 82.55873
374.4589 79.01657
374.9410 75.09366
375.4231 72.05821
375.9052 70.26875
376.3874 68.28040
376.8695 65.45287
377.3516 61.79877
377.8337 59.38391
378.3158 58.37500
378.7979 58.03893
379.2801 57.79832
379.7622 57.66063
380.2443 57.40791
380.7264 56.99036
381.2085 56.42966
381.6906 55.68089
382.1728 54.73842
382.6549 53.93637
383.1370 53.69290
383.6191 53.81688
384.1012 53.52132
384.5833 52.62761
385.0655 51.59198
385.5476 51.18127
386.0297 51.19016
386.5118 50.91800
386.9939 49.61526
387.4760 47.99002
387.9582 47.31313
388.4403 47.61304
388.9224 47.63306
389.4045 46.33022
389.8866 44.13655
390.3687 41.59639
390.8509 38.47786
391.3330 35.56667
391.8151 33.72249
392.2972 32.65659
392.7793 31.14983
393.2614 28.18840
393.7436 24.83589
394.2257 21.79329
394.7078 19.33568
395.1899 16.87672
395.6720 14.02055
396.1541 11.05994
396.6363 8.466705
397.1184 6.456406
397.6005 4.732925
398.0826 3.381622
398.5647 2.501556
399.0468 1.121048
399.5290 1.382599
400.0111 4.126678
400.4932 6.416077
400.9753 8.223999
401.4574 9.609283
401.9395 10.48485
402.4217 10.91812
402.9038 11.19753
403.3859 11.36032
403.8680 11.31300
404.3501 10.93216
404.8322 10.02351
405.3144 9.520157
405.7965 9.631195
406.2786 9.900650
406.7607 9.517014
407.2428 8.349442
407.7249 7.249619
408.2071 6.567566
408.6892 6.210907
409.1713 5.614059
409.6534 4.766647
410.1355 3.727356
410.6176 2.468048
411.0998 1.029419
411.5819 0.2834630
412.0640 1.302826
412.5461 2.356506
413.0282 4.156601
413.5103 6.575867
413.9925 8.892899
414.4746 10.48837
414.9567 11.79875
415.4388 13.58322
415.9209 15.97273
416.4030 18.29030
416.8852 19.69548
417.3673 20.71454
417.8494 22.20526
418.3315 24.84680
418.8136 27.79105
419.2957 30.57005
419.7779 33.18900
420.2600 35.84486
420.7421 38.74863
421.2242 41.64345
421.7063 44.24533
422.1884 46.30760
422.6706 48.53357
423.1527 51.17418
423.6348 54.09904
424.1169 57.06572
424.5990 60.59567
425.0811 63.66039
425.5633 65.79626
426.0454 66.84612
426.5275 68.09435
427.0096 69.77673
427.4917 71.47189
427.9738 72.87080
428.4560 74.05975
428.9381 74.70512
429.4202 74.45662
429.9023 73.69861
430.3844 73.98199
430.8665 75.87863
431.3487 77.18526
431.8308 76.50079
432.3129 73.71318
432.7950 71.39828
433.2771 69.58716
433.7592 68.26794
434.2414 67.55392
434.7235 67.39868
435.2056 67.21896
435.6877 66.78708
436.1698 66.25281
436.6519 65.98796
437.1341 65.97530
437.6162 65.88734
438.0983 65.29465
438.5804 64.50243
439.0625 64.05052
439.5446 64.06697
440.0268 64.30061
440.5089 64.50610
440.9910 64.76364
441.4731 65.23888
441.9552 66.28517
442.4373 67.34956
442.9195 68.10777
443.4016 68.54657
443.8837 68.78006
444.3658 68.54004
444.8479 68.28239
445.3300 68.39085
445.8122 69.64038
446.2943 70.33243
446.7764 69.77122
447.2585 68.48048
447.7406 67.76758
448.2227 68.69698
448.7049 69.18022
449.1870 68.50850
449.6691 66.52353
450.1512 64.51682
450.6333 62.40077
451.1154 60.32932
451.5976 58.53023
452.0797 57.26570
452.5618 55.64778
453.0439 53.48688
453.5260 50.84311
454.0081 47.70790
454.4903 43.96509
454.9724 40.36523
455.4545 37.29102
455.9366 34.79361
456.4187 32.76810
456.9008 31.32170
457.3830 29.78360
457.8651 27.22392
458.3472 23.90172
458.8293 20.76974
459.3114 18.05693
459.7935 15.79059
460.2757 14.06972
460.7578 12.84279
461.2399 11.78841
461.7220 10.73108
462.2041 9.771866
462.6862 8.980911
463.1684 8.293518
463.6505 7.936707
464.1326 8.182281
464.6147 8.828415
465.0968 9.619400
465.5789 10.36195
466.0611 11.29164
466.5432 12.23337
467.0253 13.28165
467.5074 15.28987
467.9895 18.73077
468.4716 22.89520
468.9538 27.40160
469.4359 31.90269
469.9180 37.36552
470.4001 44.12334
470.8822 51.60529
471.3643 58.93539
471.8465 65.84517
472.3286 73.37798
472.8107 81.86314
473.2928 91.12158
473.7749 100.8802
474.2570 111.1145
474.7392 121.7340
475.2213 132.5457
475.7034 143.6240
476.1855 155.3633
476.6676 167.6858
477.1497 181.1455
477.6319 196.3374
478.1140 213.1772
478.5961 231.2169
479.0782 250.4776
479.5603 270.7080
480.0424 291.5607
480.5246 313.1638
481.0067 335.7416
481.4888 359.4272
481.9709 384.1406
482.4530 410.1708
482.9352 438.7898
483.4173 465.6405
483.8994 489.3138
484.3815 510.1494
484.8636 528.4337
485.3457 546.3254
485.8279 559.5107
486.3100 567.2190
486.7921 569.2679
487.2742 565.1577
487.7563 554.7207
488.2384 538.2571
488.7206 515.4441
489.2027 484.2019
489.6848 452.4673
490.1669 420.0088
490.6490 387.4268
491.1311 354.6499
491.6133 321.7365
492.0954 290.1324
492.5775 259.9248
493.0596 231.4727
493.5417 205.6732
494.0238 182.6209
494.5060 161.7600
494.9881 142.9530
495.4702 126.1503
495.9523 110.6674
496.4344 96.47486
496.9165 83.83491
497.3987 73.45135
497.8808 64.72480
498.3629 56.74261
498.8450 49.11189
499.3271 42.08710
499.8092 36.00427
500.2914 30.72752
500.7735 26.02894
501.2556 21.88666
501.7377 18.11707
502.2198 14.62312
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