#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:56:52 +0300 (Thu, 24 May 2018) $
#$Revision: 834 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000323.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_1000323
loop_
_publ_author_name
'Yang, H.'
'Evans, S. H.'
'Downs, R. T.'
'Jenkins, R. A.'
_publ_section_title
;
 The crystal structure of vladimirite, with a revised chemical formula,
 Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1055
_journal_page_last               1064
_journal_paper_doi               10.3749/canmin.49.4.1055
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Corbriza mine, Copiapo, Chile 2'
_chemical_formula_sum            'As3 Ca4 H9 O16'
_chemical_name_mineral           Vladimirite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.902
_cell_angle_gamma                90
_cell_length_a                   5.8220
_cell_length_b                   10.1750
_cell_length_c                   22.8816
_cell_volume                     1345.657
_exptl_crystal_density_diffrn    3.209
_cod_original_formula_sum        'Ca4 As3 O16 H9'
_cod_database_code               9014928
_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            R100075.rod
_rod_data_source.block           3500000
_rod_database.code               1000323
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 9014928 COD http://www.crystallography.net/cod/9014928.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
165.2203 0.0000000E+00
165.7024 5.7983000E-02
166.1845 0.4529720
166.6666 1.169083
167.1487 2.003601
167.6309 3.049408
168.1130 4.046234
168.5951 4.809540
169.0772 5.071014
169.5593 5.055405
170.0414 4.089996
170.5236 2.241791
171.0057 0.5507660
171.4878 0.1490940
171.9699 7.5026996E-02
172.4520 0.1345060
172.9341 0.3921660
173.4163 0.8116910
173.8984 3.8695998E-02
174.3805 2.544983
174.8626 5.721970
175.3447 8.695862
175.8268 11.42453
176.3090 13.70522
176.7911 14.82098
177.2732 15.47835
177.7553 16.90163
178.2374 19.87695
178.7195 23.21046
179.2017 25.26363
179.6838 26.16432
180.1659 26.90067
180.6480 28.34229
181.1301 30.20856
181.6122 31.87021
182.0944 33.05978
182.5765 34.00720
183.0586 35.19432
183.5407 36.59480
184.0228 37.90807
184.5049 38.63214
184.9871 38.97495
185.4692 39.64929
185.9513 40.90807
186.4334 42.62282
186.9155 44.53558
187.3976 46.63049
187.8798 48.99120
188.3619 51.78162
188.8440 54.97409
189.3261 58.25333
189.8082 62.08972
190.2903 65.94943
190.7725 67.89392
191.2546 67.84711
191.7367 66.44138
192.2188 64.07141
192.7009 60.76382
193.1830 57.40289
193.6652 54.49377
194.1473 51.87866
194.6294 48.31171
195.1115 43.49034
195.5936 38.72095
196.0757 35.85309
196.5579 34.92938
197.0400 34.45058
197.5221 33.72136
198.0042 32.79663
198.4863 32.70810
198.9684 33.57370
199.4506 35.02635
199.9327 36.65009
200.4148 38.49374
200.8969 40.14287
201.3790 41.50417
201.8611 42.57574
202.3433 43.00360
202.8254 42.45779
203.3075 41.78450
203.7896 42.62976
204.2717 45.30025
204.7538 48.00998
205.2360 49.91330
205.7181 50.78625
206.2002 51.64389
206.6823 52.54385
207.1644 53.40132
207.6465 54.20093
208.1287 55.11461
208.6108 55.36432
209.0929 54.52618
209.5750 52.45035
210.0571 50.11464
210.5392 47.56903
211.0214 44.72734
211.5035 41.29321
211.9856 37.10139
212.4677 32.88657
212.9498 28.87357
213.4319 24.99846
213.9140 21.80045
214.3962 19.50212
214.8783 17.72882
215.3604 15.59888
215.8425 12.85428
216.3246 10.27786
216.8067 8.184708
217.2889 6.633316
217.7710 5.406631
218.2531 4.506485
218.7352 3.920059
219.2173 3.632736
219.6994 3.731186
220.1816 3.956528
220.6637 4.186371
221.1458 4.429337
221.6279 4.833267
222.1100 5.996185
222.5921 7.844681
223.0743 8.661377
223.5564 8.735855
224.0385 8.641037
224.5206 8.605301
225.0027 8.603226
225.4848 8.602158
225.9670 8.577957
226.4491 8.551926
226.9312 8.585983
227.4133 8.676086
227.8954 8.899933
228.3775 9.151077
228.8597 9.008911
229.3418 9.748489
229.8239 11.70610
230.3060 14.46706
230.7881 16.83411
231.2702 18.54642
231.7524 20.39105
232.2345 22.71213
232.7166 25.93661
233.1987 28.76028
233.6808 31.36848
234.1629 33.51746
234.6451 34.49088
235.1272 33.71490
235.6093 32.61803
236.0914 31.92180
236.5735 32.25569
237.0556 31.53543
237.5378 29.39255
238.0199 26.31804
238.5020 23.54156
238.9841 21.16237
239.4662 18.89682
239.9483 16.54889
240.4305 13.82104
240.9126 11.77588
241.3947 10.61464
241.8768 10.06532
242.3589 9.481796
242.8410 8.852859
243.3232 8.195251
243.8053 7.440674
244.2874 6.260040
244.7695 5.806458
245.2516 6.354218
245.7337 7.515442
246.2159 8.409515
246.6980 8.821182
247.1801 9.312790
247.6622 10.17564
248.1443 11.69650
248.6264 12.77252
249.1086 13.22548
249.5907 13.33395
250.0728 13.69691
250.5549 14.53050
251.0370 15.25426
251.5191 15.63844
252.0013 15.59756
252.4834 15.47597
252.9655 15.27666
253.4476 14.94585
253.9297 14.58041
254.4118 14.00787
254.8940 13.38901
255.3761 12.66299
255.8582 11.63594
256.3403 11.30987
256.8224 11.86331
257.3046 12.98007
257.7867 14.12468
258.2688 15.25656
258.7509 16.53851
259.2330 18.07668
259.7151 19.97064
260.1973 21.68240
260.6794 23.36595
261.1615 24.69020
261.6436 24.86984
262.1257 23.16191
262.6078 22.26270
263.0900 23.27011
263.5721 26.46794
264.0542 28.60733
264.5363 29.49352
265.0184 29.56421
265.5005 29.40460
265.9827 29.08293
266.4648 28.28186
266.9469 26.66063
267.4290 24.18880
267.9111 22.81557
268.3932 23.04721
268.8754 23.60349
269.3575 22.82356
269.8396 20.17969
270.3217 18.16324
270.8038 17.65080
271.2859 18.52701
271.7681 18.47041
272.2502 17.24312
272.7323 15.58334
273.2144 14.22076
273.6965 13.17520
274.1786 12.32919
274.6608 11.84534
275.1429 11.58253
275.6250 10.27951
276.1071 7.576416
276.5892 4.871323
277.0714 3.889572
277.5535 4.936356
278.0356 4.746002
278.5177 2.240646
278.9998 1.839096
279.4819 4.344025
279.9641 5.062180
280.4462 5.184937
280.9283 5.655060
281.4104 6.489014
281.8925 7.041977
282.3746 7.184814
282.8568 7.007568
283.3389 6.713394
283.8210 6.287491
284.3031 5.870087
284.7852 5.751144
285.2673 5.888718
285.7495 5.397842
286.2316 4.119400
286.7137 2.244705
287.1958 5.9264999E-02
287.6779 2.442459
288.1600 5.009735
288.6422 7.692856
289.1243 10.41962
289.6064 12.32626
290.0885 13.14087
290.5706 13.70306
291.0527 15.42773
291.5349 18.25732
292.0170 21.33978
292.4991 24.24374
292.9812 27.03250
293.4633 29.76784
293.9454 32.44572
294.4276 35.20059
294.9097 38.13690
295.3918 41.26669
295.8739 44.59930
296.3560 48.50729
296.8381 52.57376
297.3203 55.55817
297.8024 57.34085
298.2845 58.80383
298.7666 60.61230
299.2487 62.79065
299.7308 65.49445
300.2130 69.80148
300.6951 74.29330
301.1772 76.13443
301.6593 75.32629
302.1414 74.49442
302.6235 76.50812
303.1057 80.18066
303.5878 83.01910
304.0699 83.86539
304.5520 83.74942
305.0341 84.08600
305.5162 84.74454
305.9984 84.59772
306.4805 82.29514
306.9626 78.81439
307.4447 75.62213
307.9268 73.54984
308.4089 71.24353
308.8911 67.30188
309.3732 62.00937
309.8553 56.54660
310.3374 51.36206
310.8195 46.44882
311.3016 41.88522
311.7838 37.76425
312.2659 33.84134
312.7480 29.87256
313.2301 26.02249
313.7122 22.61411
314.1943 20.08536
314.6765 17.84601
315.1586 15.40259
315.6407 12.55191
316.1228 9.999054
316.6049 8.311005
317.0870 7.124084
317.5692 5.858704
318.0513 4.263947
318.5334 2.558411
319.0155 0.6955570
319.4976 1.434906
319.9797 3.052582
320.4619 3.740051
320.9440 3.847076
321.4261 3.762695
321.9082 3.620026
322.3903 3.268677
322.8724 2.550446
323.3546 1.454926
323.8367 0.5106810
324.3188 0.1408390
324.8009 0.6384280
325.2830 1.078949
325.7651 0.9078370
326.2473 1.327515
326.7294 2.730957
327.2115 5.005829
327.6936 7.240143
328.1757 8.456482
328.6578 10.27951
329.1400 13.57330
329.6221 20.96622
330.1042 26.18063
330.5863 27.82120
331.0684 27.22345
331.5505 28.31436
332.0327 32.38159
332.5148 36.61713
332.9969 39.82794
333.4790 41.17642
333.9611 43.67029
334.4432 47.91351
334.9254 52.93387
335.4075 56.93811
335.8896 59.13931
336.3717 61.85361
336.8538 65.93158
337.3359 71.72635
337.8180 76.41647
338.3001 79.98895
338.7823 82.55695
339.2644 84.11960
339.7465 84.63727
340.2286 84.51291
340.7107 83.76791
341.1928 82.45810
341.6750 80.88297
342.1571 78.96783
342.6392 76.99460
343.1213 75.21402
343.6034 73.67599
344.0855 72.05273
344.5677 70.20636
345.0498 68.39966
345.5319 67.12167
346.0140 66.27277
346.4961 66.08411
346.9782 66.90863
347.4604 68.60266
347.9425 70.47134
348.4246 72.53152
348.9067 74.59018
349.3888 75.94717
349.8709 76.85895
350.3531 78.73126
350.8352 83.38626
351.3173 89.22742
351.7994 92.81708
352.2815 93.85162
352.7636 94.74365
353.2458 98.06772
353.7279 102.9827
354.2100 107.6747
354.6921 111.3926
355.1742 114.5765
355.6563 117.7006
356.1385 120.7381
356.6206 123.5909
357.1027 126.6328
357.5848 129.2794
358.0669 130.8541
358.5490 130.9026
359.0312 130.2375
359.5133 129.4648
359.9954 128.4116
360.4775 126.5519
360.9596 122.8309
361.4417 118.7407
361.9239 115.3515
362.4060 113.1297
362.8881 110.7267
363.3702 107.3976
363.8523 103.6152
364.3344 100.1047
364.8166 97.04361
365.2987 94.29324
365.7808 91.86871
366.2629 89.74884
366.7450 87.90765
367.2271 86.57156
367.7093 85.40686
368.1914 84.12091
368.6735 81.77084
369.1556 80.32581
369.6377 80.71057
370.1198 82.62033
370.6020 83.33093
371.0841 81.91919
371.5662 80.16385
372.0483 79.06207
372.5304 79.23544
373.0125 78.84491
373.4947 77.58246
373.9768 75.83493
374.4589 74.39932
374.9410 73.06372
375.4231 72.48401
375.9052 73.10507
376.3874 75.13583
376.8695 76.63925
377.3516 77.30124
377.8337 77.90579
378.3158 79.78555
378.7979 83.21637
379.2801 86.03210
379.7622 87.37073
380.2443 87.67651
380.7264 89.10983
381.2085 91.78519
381.6906 94.74896
382.1728 97.28098
382.6549 99.42297
383.1370 101.2999
383.6191 102.9011
384.1012 104.3354
384.5833 105.9837
385.0655 107.7634
385.5476 109.0734
386.0297 109.2132
386.5118 108.7547
386.9939 108.8926
387.4760 109.8279
387.9582 110.6118
388.4403 110.6633
388.9224 109.8921
389.4045 108.1402
389.8866 104.7318
390.3687 100.7293
390.8509 97.15302
391.3330 93.96005
391.8151 90.38632
392.2972 85.54556
392.7793 80.34155
393.2614 75.65771
393.7436 72.22821
394.2257 68.72113
394.7078 64.22809
395.1899 59.22864
395.6720 54.98007
396.1541 52.09125
396.6363 49.88034
397.1184 48.18860
397.6005 47.29852
398.0826 45.98328
398.5647 43.64795
399.0468 40.93207
399.5290 38.61075
400.0111 37.07822
400.4932 35.57721
400.9753 33.96747
401.4574 32.24136
401.9395 30.61856
402.4217 29.13083
402.9038 27.68982
403.3859 26.22574
403.8680 24.67825
404.3501 23.24716
404.8322 22.01215
405.3144 20.87393
405.7965 19.55673
406.2786 17.93777
406.7607 16.51434
407.2428 15.49121
407.7249 14.86774
408.2071 14.52536
408.6892 14.41251
409.1713 14.71069
409.6534 15.84152
410.1355 17.75879
410.6176 19.56454
411.0998 20.90756
411.5819 22.03848
412.0640 23.58527
412.5461 25.52606
413.0282 27.59677
413.5103 29.53268
413.9925 31.43591
414.4746 33.46182
414.9567 35.53787
415.4388 38.05133
415.9209 41.52670
416.4030 45.77063
416.8852 50.40097
417.3673 55.68204
417.8494 60.90445
418.3315 65.33279
418.8136 68.92371
419.2957 72.79718
419.7779 77.72354
420.2600 83.10431
420.7421 88.28436
421.2242 93.79517
421.7063 98.41586
422.1884 101.3843
422.6706 103.0910
423.1527 105.0966
423.6348 108.8372
424.1169 112.0387
424.5990 113.5808
425.0811 112.7343
425.5633 111.7646
426.0454 111.1476
426.5275 110.3182
427.0096 108.4007
427.4917 104.4044
427.9738 100.9061
428.4560 98.80618
428.9381 97.97327
429.4202 95.85083
429.9023 91.83551
430.3844 87.72733
430.8665 84.96274
431.3487 83.67984
431.8308 82.61398
432.3129 81.70917
432.7950 80.79163
433.2771 79.55801
433.7592 78.04861
434.2414 76.34473
434.7235 74.46838
435.2056 72.40869
435.6877 70.33411
436.1698 68.25354
436.6519 65.96643
437.1341 63.04370
437.6162 59.76538
438.0983 56.84967
438.5804 54.77130
439.0625 52.77826
439.5446 49.95322
440.0268 46.44458
440.5089 42.78201
440.9910 38.52200
441.4731 34.70264
441.9552 32.48486
442.4373 32.34003
442.9195 32.09280
443.4016 30.27493
443.8837 27.84607
444.3658 25.95642
444.8479 24.93942
445.3300 24.56818
445.8122 25.01266
446.2943 26.17380
446.7764 27.22363
447.2585 27.80460
447.7406 28.41177
448.2227 29.35434
448.7049 31.20059
449.1870 32.25800
449.6691 31.89062
450.1512 31.04843
450.6333 31.34961
451.1154 33.48602
451.5976 35.28674
452.0797 36.17096
452.5618 36.18857
453.0439 35.96518
453.5260 35.55746
454.0081 34.74896
454.4903 33.31375
454.9724 31.28424
455.4545 28.96317
455.9366 26.30286
456.4187 23.57941
456.9008 21.47214
457.3830 19.86795
457.8651 18.14783
458.3472 15.49683
458.8293 12.66788
459.3114 11.10583
459.7935 10.82788
460.2757 10.87396
460.7578 10.65390
461.2399 10.24835
461.7220 9.733978
462.2041 8.956909
462.6862 8.353821
463.1684 8.317322
463.6505 8.662720
464.1326 8.976349
464.6147 9.060516
465.0968 9.113983
465.5789 9.295197
466.0611 9.649887
466.5432 9.797272
467.0253 9.417023
467.5074 8.916702
467.9895 8.650406
468.4716 9.117828
468.9538 9.199982
469.4359 8.774811
469.9180 7.930435
470.4001 6.846329
470.8822 5.219116
471.3643 3.915665
471.8465 3.412628
472.3286 3.826324
472.8107 3.866241
473.2928 3.471680
473.7749 2.878387
474.2570 2.419510
474.7392 2.093582
475.2213 1.400238
475.7034 3.6148001E-02
476.1855 1.519791
476.6676 2.179443
477.1497 2.023895
477.6319 1.775620
478.1140 1.801361
478.5961 2.044678
479.0782 2.486206
479.5603 3.145706
480.0424 3.735886
480.5246 4.072250
481.0067 4.180984
481.4888 4.087143
481.9709 3.499146
482.4530 3.061935
482.9352 3.390060
483.4173 4.189926
483.8994 4.532822
484.3815 3.537552
484.8636 2.478806
485.3457 2.011566
485.8279 2.359100
486.3100 2.624786
486.7921 2.507095
487.2742 2.399887
487.7563 2.702682
488.2384 3.981094
488.7206 4.687180
489.2027 4.536621
489.6848 3.710480
490.1669 2.697418
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