#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:44:00 +0300 (Thu, 26 Apr 2018) $
#$Revision: 540 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000090.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_1000090
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'
_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            R080001.rod
_rod_data_source.block           3500000
_rod_database.code               1000090
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
101.2597 0.0000000E+00
101.7418 8.106445
102.2239 18.05225
102.7061 25.55273
103.1882 17.78564
103.6703 4.901367
104.1524 1.711914
104.6345 0.1850590
105.1166 7.323730
105.5988 21.95410
106.0809 38.93213
106.5630 55.65723
107.0451 72.73926
107.5272 85.41309
108.0093 87.02148
108.4915 84.69727
108.9736 83.45215
109.4557 84.55225
109.9378 88.22559
110.4199 95.28418
110.9020 105.0376
111.3842 121.2744
111.8663 146.2666
112.3484 176.6602
112.8305 208.1084
113.3126 238.2358
113.7947 267.2285
114.2769 290.5244
114.7590 314.2275
115.2411 327.4346
115.7232 321.5303
116.2053 299.4785
116.6874 272.6191
117.1695 251.8745
117.6517 239.2012
118.1338 226.5933
118.6159 214.0762
119.0980 202.5562
119.5801 192.2700
120.0622 182.8262
120.5444 177.4795
121.0265 179.4536
121.5086 180.6460
121.9907 187.3330
122.4728 207.1294
122.9549 235.2852
123.4371 256.1387
123.9192 268.7754
124.4013 278.9863
124.8834 292.1191
125.3655 309.1426
125.8476 326.5859
126.3298 342.1543
126.8119 355.7227
127.2940 365.8945
127.7761 368.6445
128.2582 367.7637
128.7404 364.8940
129.2225 360.3423
129.7046 356.5425
130.1867 358.6211
130.6688 372.8809
131.1509 381.0962
131.6331 380.5308
132.1152 374.1587
132.5973 365.5752
133.0794 356.6606
133.5615 345.3765
134.0436 323.1880
134.5258 278.8242
135.0079 234.9116
135.4900 192.1309
135.9721 152.1440
136.4542 116.1602
136.9363 84.78271
137.4184 58.14209
137.9006 38.05566
138.3827 27.24414
138.8648 18.39062
139.3469 7.166992
139.8290 5.957031
140.3111 16.48730
140.7933 20.42944
141.2754 18.18213
141.7575 16.34863
142.2396 15.06445
142.7217 14.45166
143.2038 15.33032
143.6860 18.22314
144.1681 19.58521
144.6502 14.92554
145.1323 6.499756
145.6144 1.258301
146.0965 5.831543
146.5787 8.233887
147.0608 12.13452
147.5429 19.51440
148.0250 25.99414
148.5071 28.81836
148.9892 28.41455
149.4714 26.96826
149.9535 25.23120
150.4356 22.79224
150.9177 22.41479
151.3998 29.04004
151.8819 34.10059
152.3641 32.41968
152.8462 25.11523
153.3283 18.19458
153.8104 18.93384
154.2925 30.52783
154.7746 41.26831
155.2568 50.38623
155.7389 59.42725
156.2210 70.18579
156.7031 82.63818
157.1852 94.56299
157.6673 102.4324
158.1495 103.8757
158.6316 104.5005
159.1137 105.0242
159.5958 105.1892
160.0779 107.6604
160.5600 113.4363
161.0422 120.0806
161.5243 121.8967
162.0064 116.1177
162.4885 112.5759
162.9706 114.7427
163.4527 120.4783
163.9349 125.7129
164.4170 128.9287
164.8991 130.6699
165.3812 132.1016
165.8633 133.2749
166.3454 134.1299
166.8276 135.4209
167.3097 136.8523
167.7918 136.0547
168.2739 132.3269
168.7560 125.4326
169.2381 114.7356
169.7203 99.16699
170.2024 83.13403
170.6845 70.99585
171.1666 63.22070
171.6487 56.99316
172.1308 51.58008
172.6130 47.26807
173.0951 44.17188
173.5772 42.20239
174.0593 42.05469
174.5414 45.54370
175.0235 55.04614
175.5057 63.19678
175.9878 66.85107
176.4699 69.31152
176.9520 74.50000
177.4341 84.41064
177.9162 96.34351
178.3984 101.7981
178.8805 93.72388
179.3626 87.64355
179.8447 86.93457
180.3268 88.85498
180.8089 90.10767
181.2911 88.91528
181.7732 85.53394
182.2553 81.11987
182.7374 72.27563
183.2195 66.17847
183.7016 66.52124
184.1838 70.51050
184.6659 72.94263
185.1480 70.40576
185.6301 63.54053
186.1122 58.98511
186.5943 56.01147
187.0765 55.40161
187.5586 59.26978
188.0407 66.24243
188.5228 72.08008
189.0049 74.07031
189.4870 72.22900
189.9692 69.06030
190.4513 62.49365
190.9334 56.32251
191.4155 53.56787
191.8976 54.05273
192.3797 54.64160
192.8619 53.92065
193.3440 51.55103
193.8261 46.93848
194.3082 36.66211
194.7903 26.20532
195.2724 22.38672
195.7546 26.13501
196.2367 30.43530
196.7188 30.51782
197.2009 28.35181
197.6830 25.87622
198.1651 22.71851
198.6473 20.80396
199.1294 24.18799
199.6115 35.42310
200.0936 45.42188
200.5757 48.51123
201.0578 48.20972
201.5400 48.88208
202.0221 52.99463
202.5042 59.65820
202.9863 65.04956
203.4684 66.09839
203.9505 70.54346
204.4327 81.81128
204.9148 97.20630
205.3969 113.5557
205.8790 129.6572
206.3611 144.7878
206.8432 155.7134
207.3254 159.9304
207.8075 162.3262
208.2896 164.2126
208.7717 165.0945
209.2538 163.9917
209.7359 160.0293
210.2181 153.5017
210.7002 147.6931
211.1823 142.6604
211.6644 138.4561
212.1465 136.5625
212.6286 135.5027
213.1108 132.5278
213.5929 125.5090
214.0750 114.9302
214.5571 108.0330
215.0392 106.3145
215.5213 106.1833
216.0035 107.4980
216.4856 109.6990
216.9677 111.5400
217.4498 111.9143
217.9319 111.1758
218.4140 114.3916
218.8961 125.0520
219.3783 135.1626
219.8604 141.1555
220.3425 143.9565
220.8246 147.1282
221.3067 153.6890
221.7888 163.2705
222.2710 169.3750
222.7531 169.2961
223.2352 167.7046
223.7173 167.0996
224.1994 167.6638
224.6815 168.3149
225.1637 167.8047
225.6458 165.9363
226.1279 164.0034
226.6100 161.5024
227.0921 159.6580
227.5742 159.0803
228.0564 159.7275
228.5385 161.4968
229.0206 164.1465
229.5027 167.7798
229.9848 172.5432
230.4669 177.4409
230.9491 184.9709
231.4312 199.0513
231.9133 219.7715
232.3954 239.0432
232.8775 253.9434
233.3596 264.4617
233.8418 270.6497
234.3239 272.2207
234.8060 270.1448
235.2881 264.4546
235.7702 254.7534
236.2523 245.2104
236.7345 236.6833
237.2166 229.5312
237.6987 225.5835
238.1808 226.2117
238.6629 225.6338
239.1451 215.3423
239.6272 193.2039
240.1093 172.7349
240.5914 157.0847
241.0735 145.2595
241.5556 138.0300
242.0378 135.6189
242.5199 135.0801
243.0020 132.2410
243.4841 126.0806
243.9662 121.3250
244.4483 118.2458
244.9305 117.1460
245.4126 118.9351
245.8947 123.6721
246.3768 129.6511
246.8589 135.0854
247.3410 140.6934
247.8232 143.2253
248.3053 137.6707
248.7874 132.5022
249.2695 134.8291
249.7516 145.0381
250.2337 156.1243
250.7159 158.0486
251.1980 146.5215
251.6801 137.3767
252.1622 133.5825
252.6443 129.8821
253.1264 122.7842
253.6086 112.2319
254.0907 100.8716
254.5728 91.72974
255.0549 84.59180
255.5370 80.49561
256.0191 79.88672
256.5013 81.32202
256.9834 84.66895
257.4655 89.56958
257.9476 95.20020
258.4297 100.6357
258.9118 105.7283
259.3940 111.2339
259.8761 118.5667
260.3582 125.0791
260.8403 129.9827
261.3224 132.8696
261.8045 133.0732
262.2867 129.5669
262.7688 121.6182
263.2509 114.8435
263.7330 109.6965
264.2151 105.1406
264.6972 101.9060
265.1794 99.18823
265.6615 94.28101
266.1436 84.41626
266.6257 69.15869
267.1078 59.27002
267.5899 55.89087
268.0721 55.32422
268.5542 57.52588
269.0363 61.44238
269.5184 64.73291
270.0005 65.70605
270.4826 64.51465
270.9648 63.49146
271.4469 63.29980
271.9290 62.54980
272.4111 60.34595
272.8932 57.14233
273.3753 54.15332
273.8575 52.23779
274.3396 50.96094
274.8217 48.01343
275.3038 43.98169
275.7859 38.09131
276.2680 27.89600
276.7502 15.71484
277.2323 6.798584
277.7144 4.211182
278.1965 5.287842
278.6786 1.604980
279.1607 10.19458
279.6429 19.60815
280.1250 21.51709
280.6071 19.41772
281.0892 20.24829
281.5713 27.14453
282.0534 36.14771
282.5356 38.91553
283.0177 34.28931
283.4998 29.40918
283.9819 26.21631
284.4640 23.77124
284.9461 21.24683
285.4283 18.74512
285.9104 14.51685
286.3925 4.964355
286.8746 10.28394
287.3567 24.93188
287.8388 38.51782
288.3210 50.56104
288.8031 59.17993
289.2852 63.68506
289.7673 68.74756
290.2494 80.31055
290.7315 98.03735
291.2137 114.4929
291.6958 127.5811
292.1779 139.5002
292.6600 152.8264
293.1421 167.8237
293.6242 182.4504
294.1064 193.8928
294.5885 203.2412
295.0706 215.8723
295.5527 237.6096
296.0348 259.1475
296.5169 270.1907
296.9991 271.0210
297.4812 273.5935
297.9633 286.6948
298.4454 306.9268
298.9275 322.7942
299.4096 331.5562
299.8918 338.5181
300.3739 347.9597
300.8560 359.3215
301.3381 368.4937
301.8202 373.1646
302.3023 374.7312
302.7845 376.9006
303.2666 380.7354
303.7487 382.7124
304.2308 379.7190
304.7129 373.0000
305.1950 367.0188
305.6772 363.6194
306.1593 360.9731
306.6414 356.8374
307.1235 351.4255
307.6056 343.9695
308.0877 334.5818
308.5699 322.8760
309.0520 307.9209
309.5341 289.4797
310.0162 267.7688
310.4983 241.6221
310.9804 211.6323
311.4626 182.4219
311.9447 154.1328
312.4268 127.9333
312.9089 105.7275
313.3910 87.85352
313.8731 72.51196
314.3553 58.86523
314.8374 46.58911
315.3195 34.69727
315.8016 21.47949
316.2837 9.410400
316.7658 1.595947
317.2480 1.848389
317.7301 3.667725
318.2122 5.338623
318.6943 6.471924
319.1764 6.247803
319.6585 3.852295
320.1407 0.9812010
320.6228 0.9604490
321.1049 2.154541
321.5870 3.749023
322.0691 5.995117
322.5512 9.267334
323.0334 14.11694
323.5155 20.95752
323.9976 27.97339
324.4797 33.02368
324.9618 37.34058
325.4439 45.29346
325.9261 59.52197
326.4082 75.07617
326.8903 84.27661
327.3724 87.00586
327.8545 92.64795
328.3366 105.6504
328.8188 123.2507
329.3009 141.1692
329.7830 158.7776
330.2651 176.6716
330.7472 195.6567
331.2293 215.5024
331.7115 235.2290
332.1936 254.2371
332.6757 273.3049
333.1578 293.0610
333.6399 313.5867
334.1220 335.5464
334.6042 361.2842
335.0863 388.4922
335.5684 409.3887
336.0505 417.5701
336.5326 425.7837
337.0147 445.0576
337.4969 472.4446
337.9790 494.0298
338.4611 502.8223
338.9432 502.6040
339.4253 501.6992
339.9074 498.7412
340.3896 498.2593
340.8717 505.5588
341.3538 516.5830
341.8359 522.2397
342.3180 519.1089
342.8001 513.0811
343.2822 512.0510
343.7643 515.9805
344.2465 523.5432
344.7286 535.1421
345.2107 549.3789
345.6928 564.9873
346.1749 581.8770
346.6570 601.6067
347.1392 625.8101
347.6213 654.6882
348.1034 682.8257
348.5855 709.3757
349.0676 736.0283
349.5497 764.2000
350.0319 793.9844
350.5140 824.8584
350.9961 857.2046
351.4782 889.4912
351.9603 915.6387
352.4424 931.2783
352.9246 947.6946
353.4067 970.7471
353.8888 996.6565
354.3709 1018.250
354.8530 1032.627
355.3351 1042.739
355.8173 1054.182
356.2994 1068.845
356.7815 1080.599
357.2636 1090.981
357.7457 1097.112
358.2278 1094.265
358.7100 1082.310
359.1921 1068.059
359.6742 1059.668
360.1563 1059.173
360.6384 1050.842
361.1205 1030.875
361.6027 1007.438
362.0848 982.7969
362.5669 958.2507
363.0490 935.7554
363.5311 916.8562
364.0132 901.2158
364.4954 886.6462
364.9775 873.3547
365.4596 860.8081
365.9417 848.5356
366.4238 837.1001
366.9059 827.2378
367.3881 819.1995
367.8702 812.8894
368.3523 808.2314
368.8344 807.5645
369.3165 804.6836
369.7986 796.7207
370.2808 788.6980
370.7629 786.6233
371.2450 789.9028
371.7271 790.8848
372.2092 780.5703
372.6913 756.5161
373.1735 736.4915
373.6556 721.4409
374.1377 709.2634
374.6198 699.9812
375.1019 692.8723
375.5840 687.2832
376.0662 682.8359
376.5483 679.3643
377.0304 676.0520
377.5125 672.1274
377.9946 669.9197
378.4767 670.2012
378.9589 671.9209
379.4410 675.0098
379.9231 679.2327
380.4052 682.2598
380.8873 680.3296
381.3694 672.4944
381.8516 662.6653
382.3337 650.6943
382.8158 637.1143
383.2979 621.7627
383.7800 604.8706
384.2621 587.1960
384.7443 569.5972
385.2264 552.0029
385.7085 532.5906
386.1906 511.0376
386.6727 488.0576
387.1548 462.4902
387.6370 436.0491
388.1191 411.9832
388.6012 392.3208
389.0833 374.3254
389.5654 352.1621
390.0475 324.5601
390.5297 298.6846
391.0118 279.3914
391.4939 261.0464
391.9760 238.0024
392.4581 209.3628
392.9402 182.3513
393.4224 163.5261
393.9045 151.7949
394.3866 140.8433
394.8687 130.6963
395.3508 119.6619
395.8329 104.5117
396.3151 86.96729
396.7972 73.02148
397.2793 67.02295
397.7614 64.97705
398.2435 61.61987
398.7256 56.93237
399.2078 50.87158
399.6899 41.95898
400.1720 32.36279
400.6541 26.80884
401.1362 27.80225
401.6183 28.56738
402.1005 24.96753
402.5826 18.02734
403.0647 9.898438
403.5468 0.5310060
404.0289 7.840088
404.5110 11.34595
404.9932 9.762451
405.4753 8.117188
405.9574 5.845947
406.4395 4.834229
406.9216 8.852783
407.4037 17.49072
407.8859 23.71362
408.3680 21.57251
408.8501 11.72021
409.3322 3.781494
409.8143 2.226074
410.2964 6.764404
410.7786 9.104980
411.2607 10.28174
411.7428 11.26953
412.2249 12.36377
412.7070 15.38257
413.1891 24.23755
413.6713 44.70288
414.1534 60.74561
414.6355 69.90405
415.1176 76.68652
415.5997 82.50879
416.0818 88.60962
416.5640 98.01831
417.0461 114.3257
417.5282 137.6726
418.0103 155.1165
418.4924 161.0020
418.9745 166.8447
419.4567 175.3442
419.9388 185.2441
420.4209 193.8357
420.9030 199.7766
421.3851 206.0549
421.8672 219.9182
422.3494 246.5913
422.8315 267.4456
423.3136 278.8691
423.7957 285.9072
424.2778 290.5081
424.7599 293.3430
425.2421 295.2236
425.7242 297.1379
426.2063 298.8857
426.6884 298.2646
427.1705 293.9207
427.6526 289.4373
428.1348 288.0161
428.6169 287.0063
429.0990 282.0793
429.5811 270.8008
430.0632 257.5396
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