#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:51:37 +0300 (Thu, 26 Apr 2018) $
#$Revision: 571 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000115.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_1000115
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        R100075
_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 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            R100075.rod
_rod_data_source.block           3500000
_rod_database.code               1000115
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
91.53320 0.0000000E+00
92.01532 4.719849
92.49744 7.883514
92.97955 10.27599
93.46167 11.16954
93.94379 12.13812
94.42590 15.64514
94.90802 19.95044
95.39014 22.00812
95.87225 21.74525
96.35437 21.16870
96.83649 21.54279
97.31860 22.43050
97.80072 23.48743
98.28284 22.05492
98.76495 19.04759
99.24707 16.23119
99.72919 14.57191
100.2113 12.61438
100.6934 9.475464
101.1755 5.585632
101.6577 2.023651
102.1398 9.9945001E-02
102.6219 0.5102540
103.1040 0.7439270
103.5861 1.293930
104.0682 1.258682
104.5504 2.7100001E-02
105.0325 2.340240
105.5146 5.138123
105.9967 7.454727
106.4788 9.236649
106.9609 10.65800
107.4431 11.54684
107.9252 12.17119
108.4073 12.72699
108.8894 13.20946
109.3715 13.82004
109.8536 14.85489
110.3358 16.24939
110.8179 18.05951
111.3000 20.44495
111.7821 23.30724
112.2642 26.56642
112.7463 31.05302
113.2285 35.41061
113.7106 38.55363
114.1927 40.15843
114.6748 40.87688
115.1569 41.37164
115.6390 40.42279
116.1212 40.05055
116.6033 40.65836
117.0854 40.96225
117.5675 40.54921
118.0496 39.65733
118.5317 38.36971
119.0139 36.58426
119.4960 33.64748
119.9781 31.02161
120.4602 28.74158
120.9423 27.04046
121.4244 26.28091
121.9066 26.77688
122.3887 28.60245
122.8708 30.31803
123.3529 31.99808
123.8350 33.50159
124.3171 34.72751
124.7993 35.75624
125.2814 36.69490
125.7635 37.68866
126.2456 38.78206
126.7277 39.47663
127.2098 40.00037
127.6920 40.01909
128.1741 39.11008
128.6562 37.14162
129.1383 34.49696
129.6204 31.16513
130.1025 27.20509
130.5847 23.99674
131.0668 22.46646
131.5489 22.20786
132.0310 21.83122
132.5131 21.07163
132.9952 20.05148
133.4774 19.11765
133.9595 18.26172
134.4416 16.85622
134.9237 13.94810
135.4058 9.191788
135.8879 5.259552
136.3701 3.199257
136.8522 1.795052
137.3343 0.4299320
137.8164 1.062332
138.2985 2.439140
138.7806 3.248627
139.2628 3.049576
139.7449 3.066101
140.2270 3.826134
140.7091 4.637527
141.1912 4.844383
141.6733 4.151352
142.1555 2.784119
142.6376 1.517220
143.1197 0.2928700
143.6018 0.7464220
144.0839 1.362244
144.5660 1.800156
145.0482 2.433533
145.5303 3.478683
146.0124 4.907379
146.4945 6.518425
146.9766 8.701248
147.4587 10.64687
147.9409 12.08652
148.4230 13.01875
148.9051 13.47443
149.3872 13.84745
149.8693 13.68457
150.3514 13.32422
150.8336 12.44292
151.3157 11.56227
151.7978 11.14124
152.2799 11.20837
152.7620 11.56090
153.2441 12.14613
153.7263 12.91283
154.2084 13.82403
154.6905 14.65819
155.1726 15.64736
155.6547 17.40005
156.1368 20.24461
156.6190 23.32644
157.1011 26.52754
157.5832 29.60631
158.0653 32.10014
158.5474 33.69321
159.0295 34.40407
159.5117 34.50942
159.9938 33.33220
160.4759 32.17644
160.9580 31.54021
161.4401 31.31862
161.9222 31.23143
162.4044 31.05068
162.8865 30.67508
163.3686 30.57891
163.8507 30.70138
164.3328 31.09959
164.8149 31.97509
165.2971 33.24069
165.7792 34.54710
166.2613 35.52745
166.7434 36.21627
167.2255 36.34782
167.7076 35.66693
168.1898 34.70148
168.6719 33.89574
169.1540 33.31298
169.6361 32.58658
170.1182 31.11880
170.6003 28.35094
171.0825 26.28638
171.5646 25.22655
172.0467 24.83457
172.5288 24.77699
173.0109 24.97153
173.4930 25.39436
173.9752 26.00355
174.4573 26.70583
174.9394 27.85282
175.4215 29.97173
175.9036 32.61612
176.3857 34.74026
176.8679 35.95914
177.3500 36.69981
177.8321 37.56438
178.3142 38.56577
178.7963 39.49965
179.2784 40.44522
179.7606 41.34331
180.2427 41.56342
180.7248 40.45467
181.2069 38.97355
181.6890 38.00082
182.1711 37.61060
182.6533 37.36009
183.1354 36.81548
183.6175 35.93716
184.0996 35.08942
184.5817 34.33534
185.0638 33.64841
185.5460 32.91528
186.0281 32.12811
186.5102 31.58242
186.9923 31.71719
187.4744 32.69042
187.9565 33.96786
188.4387 35.70824
188.9208 37.53857
189.4029 39.39729
189.8850 41.22247
190.3671 42.63353
190.8492 42.86053
191.3314 41.10766
191.8135 39.34995
192.2956 37.60076
192.7777 35.95147
193.2598 34.38007
193.7419 32.89842
194.2241 31.65804
194.7062 31.00372
195.1883 31.87100
195.6704 32.19472
196.1525 31.36442
196.6346 30.19199
197.1168 29.70754
197.5989 30.33338
198.0810 31.64774
198.5631 32.58092
199.0452 33.00002
199.5273 33.38737
200.0095 33.66390
200.4916 34.00525
200.9737 34.85783
201.4558 36.53265
201.9379 38.50684
202.4200 39.29088
202.9022 38.32990
203.3843 37.45337
203.8664 37.15011
204.3485 37.40246
204.8306 38.20073
205.3127 39.62308
205.7949 41.52254
206.2770 43.63723
206.7591 46.37140
207.2412 48.49786
207.7233 49.09933
208.2054 48.35847
208.6876 47.40563
209.1697 46.80318
209.6518 46.08881
210.1339 44.61514
210.6160 42.19627
211.0981 39.50719
211.5803 37.19763
212.0624 35.27579
212.5445 32.92976
213.0266 29.41829
213.5087 25.65245
213.9908 22.46610
214.4730 20.02590
214.9551 18.00174
215.4372 16.07294
215.9193 14.19615
216.4014 12.64384
216.8836 11.85211
217.3657 11.21813
217.8478 10.32250
218.3299 9.096909
218.8120 7.843788
219.2941 6.790123
219.7763 5.745674
220.2584 5.274117
220.7405 6.006462
221.2226 7.048500
221.7047 7.729897
222.1868 7.842072
222.6690 7.712517
223.1511 8.004990
223.6332 9.131279
224.1153 9.776115
224.5974 9.399872
225.0795 8.820137
225.5617 8.613823
226.0438 8.944138
226.5259 9.588715
227.0080 10.11801
227.4901 10.19834
227.9722 10.70184
228.4544 12.07261
228.9365 13.61576
229.4186 14.64695
229.9007 14.96693
230.3828 15.00676
230.8649 15.67733
231.3471 17.35180
231.8292 19.15989
232.3113 21.30518
232.7934 23.45006
233.2755 25.46619
233.7576 27.26808
234.2398 28.64613
234.7219 29.19657
235.2040 28.23209
235.6861 27.60880
236.1682 27.95432
236.6503 28.29912
237.1325 27.72688
237.6146 26.00883
238.0967 23.58170
238.5788 21.00121
239.0609 17.95685
239.5430 15.60272
240.0252 14.29093
240.5073 13.54679
240.9894 12.95690
241.4715 12.41864
241.9536 11.99097
242.4357 11.78862
242.9179 11.88373
243.4000 11.88676
243.8821 11.61589
244.3642 11.30341
244.8463 11.15186
245.3284 11.19534
245.8106 11.50117
246.2927 12.26039
246.7748 13.49427
247.2569 14.60236
247.7390 15.64355
248.2211 16.45509
248.7033 16.75919
249.1854 16.47334
249.6675 16.00611
250.1496 15.83881
250.6317 15.90068
251.1138 15.64218
251.5960 14.78262
252.0781 13.61220
252.5602 12.39245
253.0423 11.10187
253.5244 10.05176
254.0065 9.827042
254.4887 10.11887
254.9708 10.05128
255.4529 9.007713
255.9350 7.643959
256.4171 6.850143
256.8992 6.687317
257.3813 6.930901
257.8635 7.683952
258.3456 8.722244
258.8277 9.709763
259.3098 10.65314
259.7919 11.42575
260.2740 11.71688
260.7562 11.38574
261.2383 11.17857
261.7204 11.95502
262.2025 13.00537
262.6846 13.35747
263.1667 12.37995
263.6489 11.01688
264.1310 10.70377
264.6131 11.68147
265.0952 12.66063
265.5773 13.08646
266.0594 13.20946
266.5416 13.24418
267.0237 13.26736
267.5058 13.16770
267.9879 12.69212
268.4700 11.71573
268.9521 10.95284
269.4343 11.01845
269.9164 11.20465
270.3985 10.90714
270.8806 9.951324
271.3627 8.808273
271.8448 8.117554
272.3270 7.995735
272.8091 7.702301
273.2912 6.959686
273.7733 6.045380
274.2554 5.142403
274.7375 4.271454
275.2197 3.281357
275.7018 1.853760
276.1839 0.1396410
276.6660 1.723885
277.1481 2.272057
277.6302 2.713310
278.1124 3.580124
278.5945 4.858398
279.0766 6.072701
279.5587 6.688942
280.0408 6.632538
280.5229 6.694756
281.0051 7.074821
281.4872 7.427795
281.9693 7.637810
282.4514 7.702736
282.9335 7.659271
283.4156 7.574646
283.8978 7.452133
284.3799 7.012299
284.8620 5.885071
285.3441 4.795624
285.8262 4.248878
286.3083 3.938927
286.7905 3.177902
287.2726 1.387703
287.7547 1.307426
288.2368 3.705933
288.7189 5.748741
289.2010 7.523109
289.6832 8.791092
290.1653 9.858322
290.6474 11.20411
291.1295 13.12777
291.6116 15.46992
292.0938 17.54169
292.5759 18.90869
293.0580 20.63615
293.5401 22.97817
294.0222 25.73407
294.5043 28.78596
294.9865 32.10418
295.4686 35.42342
295.9507 38.01634
296.4328 39.20781
296.9149 40.87456
297.3970 43.63842
297.8792 46.67871
298.3613 49.33624
298.8434 51.40363
299.3255 53.00414
299.8076 54.25554
300.2897 54.83994
300.7719 55.81667
301.2540 58.06030
301.7361 60.06007
302.2182 60.62865
302.7003 59.70374
303.1824 58.33568
303.6646 57.79637
304.1467 58.33337
304.6288 58.81796
305.1109 60.02386
305.5930 60.52451
306.0751 59.25861
306.5573 56.52309
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307.5215 51.46500
308.0036 50.40486
308.4857 48.71968
308.9678 45.78319
309.4500 42.80263
309.9321 40.10539
310.4142 37.61819
310.8963 35.08649
311.3784 32.27325
311.8605 29.27763
312.3427 26.93453
312.8248 25.88517
313.3069 24.76646
313.7890 23.20402
314.2711 21.46041
314.7532 19.85247
315.2354 18.54002
315.7175 17.50488
316.1996 16.74915
316.6817 16.72125
317.1638 16.23373
317.6459 14.78639
318.1281 13.07807
318.6102 11.61636
319.0923 10.59251
319.5744 10.07111
320.0565 10.22177
320.5386 11.32804
321.0208 12.47983
321.5029 13.58354
321.9850 14.75230
322.4671 16.12463
322.9492 17.68257
323.4313 19.22401
323.9135 20.47337
324.3956 21.28229
324.8777 22.55875
325.3598 24.49438
325.8419 26.72345
326.3240 29.32671
326.8062 32.14812
327.2883 34.82616
327.7704 36.97617
328.2525 38.66939
328.7346 41.26859
329.2167 45.75299
329.6989 50.11114
330.1810 53.72096
330.6631 56.93063
331.1452 60.18209
331.6273 63.67716
332.1094 67.50368
332.5916 72.08148
333.0737 78.43938
333.5558 83.69205
334.0379 86.43627
334.5200 88.41386
335.0021 91.35744
335.4843 95.81105
335.9664 100.8698
336.4485 105.0994
336.9306 108.3478
337.4127 111.2851
337.8948 114.4140
338.3770 117.0097
338.8591 118.7382
339.3412 119.5156
339.8233 119.2644
340.3055 117.6895
340.7876 114.6686
341.2697 111.6757
341.7518 108.9176
342.2339 106.0080
342.7160 102.3535
343.1982 98.43039
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344.6445 93.73964
345.1266 93.69733
345.6087 93.65417
346.0909 93.67738
346.5730 93.36569
347.0551 93.28603
347.5372 94.22757
348.0193 96.61066
348.5014 99.84270
348.9836 102.9814
349.4657 106.0719
349.9478 108.8651
350.4299 110.8472
350.9120 112.7838
351.3941 115.2196
351.8763 118.2516
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352.8405 125.3544
353.3226 129.4304
353.8047 132.8719
354.2868 135.2336
354.7690 137.2071
355.2511 139.2526
355.7332 141.3345
356.2153 143.1974
356.6974 144.8638
357.1795 146.2119
357.6617 146.7373
358.1438 146.3199
358.6259 145.2752
359.1080 143.9123
359.5901 142.0815
360.0722 139.4360
360.5544 135.7235
361.0365 131.2996
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362.0007 120.8755
362.4828 115.7285
362.9649 111.6749
363.4471 107.9619
363.9292 103.6105
364.4113 98.35896
364.8934 93.17439
365.3755 88.66176
365.8576 84.80975
366.3398 81.59578
366.8219 79.10864
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367.7861 75.40225
368.2682 73.91496
368.7503 72.72894
369.2325 71.93185
369.7146 71.42761
370.1967 71.16777
370.6788 71.21307
371.1609 71.07657
371.6430 70.17435
372.1252 68.76672
372.6073 67.75291
373.0894 67.60246
373.5715 67.60561
374.0536 67.06114
374.5357 66.09505
375.0179 65.43845
375.5000 65.42519
375.9821 65.98749
376.4642 66.93777
376.9463 68.31023
377.4284 69.90459
377.9106 71.69203
378.3927 73.64052
378.8748 75.74963
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379.8390 80.33394
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380.8033 84.49287
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381.7675 86.33664
382.2496 86.61928
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383.2138 90.63478
383.6960 92.85103
384.1781 93.61957
384.6602 93.05470
385.1423 92.97423
385.6244 94.01454
386.1065 94.73480
386.5887 94.52309
387.0708 93.69641
387.5529 92.89069
388.0350 92.39989
388.5171 91.85460
388.9992 90.45958
389.4814 88.25035
389.9635 84.96017
390.4456 79.86694
390.9277 74.19081
391.4098 68.84544
391.8919 64.00075
392.3741 59.26666
392.8562 54.19350
393.3383 48.62186
393.8204 43.81001
394.3025 39.94031
394.7846 36.57314
395.2668 33.83855
395.7489 31.46036
396.2310 28.96439
396.7131 26.05051
397.1952 22.89284
397.6773 20.05670
398.1595 17.43871
398.6416 15.35889
399.1237 14.09622
399.6058 13.16464
400.0879 12.17549
400.5700 11.02930
401.0522 9.845886
401.5343 8.828308
402.0164 8.070313
402.4985 6.927322
402.9806 4.632690
403.4627 2.662445
403.9449 1.794121
404.4270 1.780922
404.9091 1.927513
405.3912 1.864182
405.8733 1.618240
406.3554 1.191612
406.8376 0.3552700
407.3197 9.4650000E-02
407.8018 0.5027240
408.2839 1.480728
408.7660 2.179924
409.2481 2.428947
409.7303 2.497261
410.2124 2.389694
410.6945 2.166382
411.1766 2.773170
411.6587 4.639061
412.1408 7.152161
412.6230 9.856155
413.1051 12.70951
413.5872 15.38365
414.0693 17.54329
414.5514 19.51527
415.0335 21.81000
415.5157 24.47107
415.9978 27.26424
416.4799 29.89821
416.9620 32.61917
417.4441 36.05226
417.9262 40.81146
418.4084 45.53880
418.8905 49.33124
419.3726 52.45431
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