#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:36:14 +0300 (Thu, 24 May 2018) $
#$Revision: 763 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000266.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_1000266
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 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            R080001.rod
_rod_data_source.block           3500000
_rod_database.code               1000266
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
118.4763 0.0000000E+00
118.9584 15.10840
119.4405 20.98169
119.9227 20.74316
120.4048 4.482178
120.8869 2.036621
121.3690 2.477295
121.8511 21.59546
122.3332 52.10352
122.8154 87.89697
123.2975 122.9937
123.7796 162.9072
124.2617 215.7249
124.7438 281.7859
125.2259 356.6267
125.7081 443.7458
126.1902 538.2473
126.6723 610.7449
127.1544 659.4617
127.6365 695.5483
128.1186 716.9509
128.6008 719.0620
129.0829 714.8008
129.5650 723.6208
130.0471 735.8013
130.5292 746.3643
131.0113 753.4934
131.4935 762.4758
131.9756 767.0562
132.4577 770.5701
132.9398 766.5703
133.4219 733.9653
133.9040 671.4119
134.3862 592.8054
134.8683 508.2227
135.3504 417.4460
135.8325 332.5417
136.3146 255.2375
136.7967 186.1750
137.2789 130.9580
137.7610 90.37964
138.2431 59.96973
138.7252 33.36206
139.2073 10.04346
139.6894 7.674316
140.1716 18.40454
140.6537 21.48608
141.1358 22.99121
141.6179 23.18506
142.1000 21.54492
142.5821 16.89380
143.0643 8.183105
143.5464 1.435791
144.0285 10.24878
144.5106 15.75757
144.9927 26.91235
145.4748 44.99683
145.9570 68.36719
146.4391 91.41284
146.9212 114.2834
147.4033 136.9299
147.8854 159.9927
148.3675 187.4048
148.8497 208.9607
149.3318 226.5486
149.8139 238.7349
150.2960 237.4133
150.7781 214.8530
151.2602 184.4417
151.7424 153.5527
152.2245 110.1008
152.7066 79.63892
153.1887 66.25464
153.6708 69.16577
154.1529 77.64966
154.6351 91.81641
155.1172 110.8743
155.5993 134.1941
156.0814 168.7412
156.5635 200.6716
157.0456 228.7842
157.5278 252.7510
158.0099 269.5732
158.4920 274.2976
158.9741 273.7751
159.4562 274.1663
159.9383 274.4221
160.4205 278.1587
160.9026 287.5767
161.3847 303.0435
161.8668 319.3521
162.3489 334.8069
162.8310 350.1440
163.3132 366.2114
163.7953 385.9236
164.2774 404.3887
164.7595 418.3662
165.2416 427.0503
165.7237 435.5188
166.2059 450.4277
166.6880 466.1841
167.1701 474.2979
167.6522 474.6829
168.1343 463.9023
168.6164 438.2583
169.0986 395.8882
169.5807 344.9141
170.0628 283.0161
170.5449 216.4329
171.0270 157.8540
171.5091 111.6079
171.9913 77.31274
172.4734 55.84595
172.9555 48.80688
173.4376 49.46362
173.9197 51.50024
174.4018 56.36475
174.8840 68.21167
175.3661 97.00293
175.8482 131.5259
176.3303 156.4165
176.8124 168.1506
177.2945 173.4255
177.7767 179.9038
178.2588 186.5591
178.7409 188.5090
179.2230 180.0476
179.7051 165.6135
180.1872 153.2576
180.6694 143.8452
181.1515 137.6890
181.6336 136.0232
182.1157 138.5129
182.5978 142.8057
183.0799 147.6782
183.5621 153.1936
184.0442 159.0474
184.5263 164.4963
185.0084 171.2759
185.4905 181.9580
185.9726 196.5269
186.4547 215.5449
186.9369 239.4197
187.4190 268.1953
187.9011 302.3152
188.3832 346.0366
188.8653 391.9275
189.3474 425.1482
189.8296 446.0261
190.3117 455.4539
190.7938 453.6135
191.2759 440.7942
191.7580 418.1702
192.2401 382.8479
192.7223 339.4084
193.2044 300.0894
193.6865 264.5474
194.1686 232.7927
194.6507 204.1523
195.1328 178.6702
195.6150 159.7107
196.0971 148.7952
196.5792 144.9055
197.0613 144.1240
197.5434 145.6489
198.0255 150.5771
198.5077 162.2727
198.9898 181.2307
199.4719 197.9546
199.9540 209.9009
200.4361 217.9978
200.9182 226.6138
201.4004 235.2937
201.8825 244.2810
202.3646 253.0386
202.8467 260.8992
203.3288 273.6028
203.8109 293.4268
204.2931 319.6431
204.7752 346.1133
205.2573 372.8333
205.7394 399.8662
206.2215 429.3611
206.7036 462.9788
207.1858 489.1887
207.6679 506.5073
208.1500 514.6482
208.6321 507.1145
209.1142 480.1428
209.5963 444.5879
210.0785 411.2925
210.5606 380.8743
211.0427 351.1047
211.5248 320.9419
212.0069 290.4561
212.4890 262.4585
212.9712 237.0498
213.4533 213.9189
213.9354 193.5625
214.4175 176.9724
214.8996 159.4731
215.3817 138.3765
215.8639 113.8042
216.3460 96.04932
216.8281 86.51758
217.3102 81.85986
217.7923 77.79688
218.2744 72.07007
218.7566 73.05908
219.2387 85.40479
219.7208 109.6592
220.2029 124.4961
220.6850 125.9014
221.1671 123.3655
221.6493 127.9363
222.1314 143.7603
222.6135 157.1719
223.0956 164.1980
223.5777 164.3296
224.0598 164.0547
224.5420 163.2068
225.0241 161.5420
225.5062 158.0852
225.9883 150.0767
226.4704 146.8687
226.9525 150.4485
227.4347 160.2908
227.9168 170.5322
228.3989 179.2495
228.8810 191.5142
229.3631 212.1914
229.8452 244.1785
230.3274 277.6138
230.8095 310.5488
231.2916 343.8892
231.7737 381.4460
232.2558 426.3064
232.7379 472.1948
233.2201 512.9373
233.7022 550.0793
234.1843 579.0906
234.6664 599.4692
235.1485 611.0979
235.6306 611.7209
236.1128 599.9775
236.5949 578.5894
237.0770 548.9412
237.5591 506.1248
238.0412 464.7000
238.5233 427.9346
239.0055 395.6914
239.4876 362.2456
239.9697 324.7749
240.4518 288.8845
240.9339 259.7295
241.4160 239.7693
241.8982 221.7190
242.3803 203.8342
242.8624 186.2075
243.3445 173.5986
243.8266 164.4900
244.3087 161.9092
244.7909 169.4707
245.2730 193.2085
245.7551 214.7573
246.2372 230.0630
246.7193 239.8425
247.2014 255.1953
247.6836 280.5364
248.1657 305.8403
248.6478 323.2732
249.1299 331.3787
249.6120 335.0923
250.0941 335.0603
250.5762 331.1892
251.0584 322.5432
251.5405 308.9031
252.0226 290.9417
252.5047 268.7166
252.9868 239.8716
253.4689 212.0208
253.9511 185.1147
254.4332 159.6326
254.9153 138.1582
255.3974 118.9111
255.8795 106.5093
256.3617 104.9495
256.8438 118.1047
257.3259 131.9124
257.8080 144.7949
258.2901 157.5366
258.7722 174.4998
259.2544 198.8303
259.7365 222.1294
260.2186 240.2231
260.7007 251.9404
261.1828 261.3359
261.6649 268.4399
262.1471 273.0657
262.6292 274.9026
263.1113 272.8691
263.5934 270.1804
264.0755 268.7788
264.5576 269.7295
265.0398 267.8376
265.5219 262.0745
266.0040 254.0103
266.4861 246.4629
266.9682 238.3564
267.4503 233.6948
267.9325 235.8726
268.4146 247.5498
268.8967 253.7551
269.3788 252.6362
269.8609 248.0059
270.3430 248.3655
270.8252 256.6340
271.3073 260.1479
271.7894 251.6067
272.2715 229.4368
272.7536 212.7583
273.2357 203.2517
273.7179 196.8984
274.2000 187.9780
274.6821 176.4263
275.1642 162.4001
275.6463 145.4272
276.1284 125.4783
276.6106 105.7312
277.0927 86.63574
277.5748 66.75024
278.0569 43.38159
278.5390 16.03394
279.0211 9.971436
279.5032 33.51733
279.9854 54.24487
280.4675 70.46460
280.9496 81.84644
281.4317 89.77441
281.9138 94.88867
282.3959 97.07227
282.8781 99.61133
283.3602 105.0046
283.8423 111.1533
284.3244 107.7314
284.8065 93.63208
285.2886 76.90503
285.7708 66.30640
286.2529 61.28906
286.7350 51.13013
287.2171 33.06958
287.6992 8.735107
288.1813 17.92651
288.6635 47.14331
289.1456 76.54175
289.6277 102.4380
290.1098 126.0713
290.5919 155.2666
291.0740 192.7202
291.5562 234.6084
292.0383 272.4810
292.5204 306.8967
293.0025 342.1091
293.4846 382.0171
293.9667 425.4768
294.4489 469.1106
294.9310 512.6558
295.4131 554.8003
295.8952 592.7073
296.3773 626.7754
296.8594 660.3201
297.3416 694.4280
297.8237 729.8958
298.3058 769.1826
298.7879 813.6892
299.2700 857.5227
299.7521 892.5251
300.2343 920.5132
300.7164 945.3447
301.1985 969.9395
301.6806 992.5425
302.1627 1009.877
302.6448 1021.896
303.1270 1029.991
303.6091 1036.699
304.0912 1040.447
304.5733 1038.468
305.0554 1026.674
305.5375 1010.066
306.0197 996.0840
306.5018 984.3303
306.9839 966.5190
307.4660 936.5415
307.9481 896.7573
308.4302 850.6558
308.9124 798.9426
309.3945 741.1367
309.8766 672.8369
310.3587 595.7649
310.8408 522.1067
311.3229 458.6121
311.8051 401.8843
312.2872 350.3013
312.7693 304.1951
313.2514 261.1636
313.7335 217.8738
314.2156 176.0154
314.6978 139.9504
315.1799 114.0710
315.6620 93.09937
316.1441 74.10522
316.6262 56.82861
317.1083 40.37329
317.5905 21.97217
318.0726 4.382324
318.5547 7.754883
319.0368 11.46729
319.5189 10.27930
320.0010 4.687744
320.4832 6.299561
320.9653 16.14526
321.4474 20.97510
321.9295 24.39136
322.4116 30.61670
322.8937 40.21924
323.3759 53.16846
323.8580 70.41748
324.3401 92.00757
324.8222 113.9910
325.3043 135.3679
325.7864 157.1895
326.2686 180.2646
326.7507 204.2805
327.2328 229.9844
327.7149 256.0178
328.1970 282.6653
328.6791 316.0337
329.1613 362.1235
329.6434 409.8027
330.1255 453.0969
330.6076 481.8457
331.0897 520.9502
331.5718 574.6069
332.0540 638.8147
332.5361 702.7087
333.0182 766.6045
333.5003 830.7112
333.9824 894.3721
334.4645 957.6641
334.9467 1022.192
335.4288 1089.688
335.9109 1156.692
336.3930 1216.520
336.8751 1270.796
337.3572 1313.313
337.8394 1342.663
338.3215 1358.727
338.8036 1365.315
339.2857 1363.364
339.7678 1351.069
340.2499 1323.222
340.7321 1277.134
341.2142 1233.199
341.6963 1197.021
342.1784 1167.217
342.6605 1134.304
343.1426 1097.174
343.6248 1063.483
344.1069 1038.002
344.5890 1021.268
345.0711 1016.151
345.5532 1024.468
346.0353 1043.305
346.5175 1065.640
346.9996 1091.292
347.4817 1121.775
347.9638 1158.952
348.4459 1201.882
348.9280 1247.388
349.4102 1295.129
349.8923 1345.193
350.3744 1395.746
350.8565 1447.426
351.3386 1504.161
351.8207 1573.825
352.3029 1647.042
352.7850 1708.854
353.2671 1759.555
353.7492 1805.268
354.2313 1850.916
354.7134 1895.326
355.1956 1937.373
355.6777 1979.081
356.1598 2015.439
356.6419 2041.565
357.1240 2058.309
357.6061 2070.021
358.0883 2082.941
358.5704 2090.545
359.0525 2085.828
359.5346 2065.363
360.0167 2036.136
360.4988 1998.456
360.9810 1954.973
361.4631 1911.866
361.9452 1868.466
362.4273 1828.398
362.9094 1793.582
363.3915 1764.293
363.8737 1739.508
364.3558 1718.907
364.8379 1702.736
365.3200 1691.433
365.8021 1689.141
366.2842 1687.726
366.7664 1685.353
367.2485 1681.976
367.7306 1677.719
368.2127 1672.690
368.6948 1666.896
369.1769 1660.359
369.6591 1659.275
370.1412 1649.956
370.6233 1630.128
371.1054 1601.404
371.5875 1569.400
372.0696 1532.777
372.5518 1494.918
373.0339 1456.835
373.5160 1418.125
373.9981 1379.398
374.4802 1337.713
374.9623 1297.886
375.4445 1268.561
375.9266 1251.589
376.4087 1239.068
376.8908 1228.981
377.3729 1221.407
377.8550 1218.091
378.3372 1220.172
378.8193 1223.327
379.3014 1222.882
379.7835 1218.623
380.2656 1215.629
380.7477 1214.951
381.2299 1215.990
381.7120 1221.553
382.1941 1231.879
382.6762 1231.568
383.1583 1204.263
383.6404 1156.358
384.1226 1114.083
384.6047 1080.751
385.0868 1050.547
385.5689 1016.856
386.0510 980.0183
386.5331 940.9805
387.0153 898.7546
387.4974 854.8840
387.9795 811.2029
388.4616 767.7886
388.9437 724.4775
389.4258 680.7041
389.9080 637.0095
390.3901 594.9458
390.8722 556.1536
391.3543 517.7656
391.8364 477.1479
392.3185 435.4924
392.8007 395.7864
393.2828 355.9360
393.7649 320.7876
394.2470 295.0137
394.7291 281.8225
395.2112 270.7957
395.6934 257.1887
396.1755 243.6094
396.6576 234.0000
397.1397 229.6687
397.6218 229.0234
398.1039 235.0066
398.5861 248.9937
399.0682 253.0173
399.5503 236.2864
400.0324 214.3376
400.5145 199.1133
400.9966 196.6123
401.4788 192.6646
401.9609 186.6897
402.4430 178.7493
402.9251 168.4553
403.4072 153.5913
403.8893 139.0591
404.3714 127.7471
404.8535 120.4712
405.3357 112.1616
405.8178 101.3018
406.2999 90.86011
406.7820 85.79370
407.2641 86.80713
407.7462 88.85596
408.2284 89.98438
408.7105 90.90308
409.1926 93.66455
409.6747 98.46533
410.1568 105.8506
410.6389 115.9539
411.1211 128.6921
411.6032 144.4260
412.0853 163.6360
412.5674 185.3318
413.0495 207.2598
413.5316 230.3928
414.0138 258.8406
414.4959 296.9998
414.9780 341.7456
415.4601 387.8098
415.9422 435.1770
416.4243 483.7117
416.9065 535.2915
417.3886 587.9707
417.8707 637.4458
418.3528 676.2151
418.8349 717.4988
419.3170 774.2437
419.7992 843.2004
420.2813 906.1697
420.7634 951.1042
421.2455 991.1858
421.7276 1035.983
422.2097 1091.327
422.6919 1141.682
423.1740 1185.544
423.6561 1221.636
424.1382 1249.014
424.6203 1263.406
425.1024 1272.814
425.5846 1279.499
426.0667 1283.662
426.5488 1281.779
427.0309 1271.823
427.5130 1257.541
427.9951 1241.352
428.4773 1223.182
428.9594 1203.315
429.4415 1181.758
429.9236 1158.693
430.4057 1133.778
430.8878 1106.692
431.3700 1079.385
431.8521 1053.318
432.3342 1028.527
432.8163 1000.116
433.2984 967.2087
433.7805 933.8835
434.2627 909.1833
434.7448 891.2195
435.2269 859.9949
435.7090 805.9968
436.1911 739.5518
436.6732 680.4578
437.1554 627.9236
437.6375 578.0708
438.1196 528.3931
438.6017 479.6213
439.0838 433.0369
439.5659 388.6479
440.0481 346.1531
440.5302 303.5723
441.0123 262.4453
441.4944 225.3708
441.9765 192.0886
442.4586 164.3113
442.9408 144.1133
443.4229 131.1926
443.9050 121.1128
444.3871 114.1074
444.8692 108.2375
445.3513 101.8767
445.8335 91.93359
446.3156 86.62744
446.7977 88.19482
447.2798 95.22290
447.7619 105.4014
448.2440 124.2854
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1304.965 0.0000000E+00
