#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:01 +0300 (Thu, 07 Jun 2018) $
#$Revision: 934 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000405.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_1000405
loop_
_publ_author_name
'Gonzalez del Tanago, J.'
'La Iglesia, A.'
'Rius, J.'
'Santin, S. F.'
_publ_section_title
;
 Calderonite, a new lead-iron-vanadate of the brackebuschite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1703
_journal_page_last               1708
_journal_volume                  88
_journal_year                    2003
_chemical_compound_source        R060427
_chemical_formula_sum            'Fe H O9 Pb1.937 V1.912'
_chemical_name_mineral           Calderonite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.23
_cell_angle_gamma                90
_cell_length_a                   7.649
_cell_length_b                   6.101
_cell_length_c                   8.904
_cell_volume                     384.635
_exptl_crystal_density_diffrn    6.041
_cod_original_cell_volume        384.634
_cod_original_formula_sum        'V1.912 Fe Pb1.937 O9 H'
_cod_database_code               9003094
_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            R060427.rod
_rod_data_source.block           3500000
_rod_database.code               1000405
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 9003094 COD http://www.crystallography.net/cod/9003094.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
172.5130 0.0000000E+00
172.9951 4.371887
173.4772 8.179565
173.9593 11.13608
174.4414 12.55328
174.9236 13.24176
175.4057 14.25269
175.8878 15.71295
176.3699 16.93372
176.8520 17.24609
177.3341 16.97156
177.8163 16.53036
178.2984 15.42664
178.7805 14.29504
179.2626 14.04013
179.7447 14.39526
180.2268 14.62094
180.7090 13.86514
181.1911 12.37061
181.6732 11.08600
182.1553 9.585846
182.6374 8.710083
183.1195 9.374817
183.6017 9.442108
184.0838 9.443420
184.5659 8.411957
185.0480 6.449890
185.5301 4.426575
186.0123 3.636322
186.4944 3.770020
186.9765 3.584015
187.4586 2.989349
187.9407 2.284760
188.4228 1.924255
188.9050 1.907990
189.3871 1.828369
189.8692 1.384705
190.3513 0.7371220
190.8334 0.6916810
191.3155 1.462646
191.7977 2.390839
192.2798 2.018585
192.7619 0.3647460
193.2440 0.5316470
193.7261 0.9598690
194.2082 4.558899
194.6904 6.984924
195.1725 7.920441
195.6546 7.943848
196.1367 7.799011
196.6188 7.418671
197.1009 7.693085
197.5831 9.492462
198.0652 12.80704
198.5473 15.48517
199.0294 17.25403
199.5115 18.53064
199.9937 19.95874
200.4758 21.40103
200.9579 23.25974
201.4400 26.07770
201.9221 29.28772
202.4042 31.98431
202.8864 35.30923
203.3685 38.35001
203.8506 40.84744
204.3327 43.36288
204.8148 46.97931
205.2969 51.63675
205.7791 57.04758
206.2612 61.11356
206.7433 63.94272
207.2254 66.47351
207.7075 69.87720
208.1896 74.26553
208.6718 77.51387
209.1539 78.63336
209.6360 76.92888
210.1181 76.25696
210.6002 77.17575
211.0823 78.99652
211.5645 81.16922
212.0466 84.69193
212.5287 87.63535
213.0108 87.96426
213.4929 84.96347
213.9750 83.32986
214.4572 83.40891
214.9393 84.68060
215.4214 85.27206
215.9035 85.10500
216.3856 83.92526
216.8678 81.79335
217.3499 78.37582
217.8320 75.08519
218.3141 72.08289
218.7962 69.25369
219.2783 66.31790
219.7605 63.40436
220.2426 60.16551
220.7247 56.25792
221.2068 51.13895
221.6889 46.97232
222.1710 44.22856
222.6532 42.41786
223.1353 40.03632
223.6174 36.73956
224.0995 33.42899
224.5816 30.65012
225.0637 28.81837
225.5459 26.34158
226.0280 22.72290
226.5101 18.52228
226.9922 15.66653
227.4743 14.95670
227.9564 14.29950
228.4386 12.63235
228.9207 9.528290
229.4028 6.426910
229.8849 3.040222
230.3670 1.100922
230.8492 0.3391720
231.3313 1.662933
231.8134 2.788452
232.2955 2.494232
232.7776 0.3290100
233.2597 1.884537
233.7419 1.527039
234.2240 5.9204001E-02
234.7061 0.4079900
235.1882 0.4861150
235.6703 1.810562
236.1524 3.314987
236.6346 5.498154
237.1167 6.684784
237.5988 6.629028
238.0809 5.674332
238.5630 4.535904
239.0451 2.951950
239.5273 1.598206
240.0094 0.7161870
240.4915 0.2729190
240.9736 0.4482420
241.4557 1.553711
241.9378 3.127060
242.4200 4.231369
242.9021 4.788803
243.3842 5.019974
243.8663 4.890137
244.3484 4.081390
244.8306 3.869141
245.3127 4.592621
245.7948 5.747162
246.2769 6.372681
246.7590 6.189362
247.2411 5.945801
247.7233 5.947449
248.2054 6.350372
248.6875 6.370728
249.1696 5.638092
249.6517 4.734985
250.1338 4.708679
250.6160 6.039642
251.0981 7.531189
251.5802 8.804047
252.0623 9.967651
252.5444 10.17767
253.0265 8.945313
253.5087 7.222260
253.9908 6.452026
254.4729 7.141907
254.9550 7.718964
255.4371 7.640442
255.9192 6.782104
256.4014 6.253815
256.8835 6.207550
257.3656 6.359100
257.8477 6.403015
258.3298 6.495697
258.8120 6.110779
259.2941 4.901672
259.7762 2.770569
260.2583 1.448792
260.7404 1.313538
261.2225 1.510376
261.7047 1.057953
262.1868 0.3078610
262.6689 1.619415
263.1510 2.711304
263.6331 3.567200
264.1152 4.335876
264.5974 5.126495
265.0795 5.643860
265.5616 5.356201
266.0437 3.789612
266.5258 3.059784
267.0079 3.776672
267.4901 5.763275
267.9722 7.330139
268.4543 8.485718
268.9364 9.274597
269.4185 9.616669
269.9006 9.344452
270.3828 9.376495
270.8649 9.947327
271.3470 10.92770
271.8291 11.75473
272.3112 12.45996
272.7933 12.96252
273.2755 12.99167
273.7576 12.37173
274.2397 12.44977
274.7218 13.44431
275.2039 15.18594
275.6860 17.28015
276.1682 19.86282
276.6503 22.39014
277.1324 24.16296
277.6145 24.99564
278.0966 27.51837
278.5787 32.47424
279.0609 38.58472
279.5430 42.66599
280.0251 44.25385
280.5072 46.63617
280.9893 52.50778
281.4715 61.78668
281.9536 68.36139
282.4357 71.21405
282.9178 72.78268
283.3999 77.42569
283.8820 85.28253
284.3642 93.49332
284.8463 100.5554
285.3284 106.6685
285.8105 113.6628
286.2926 121.6971
286.7747 130.1402
287.2569 138.0326
287.7390 145.3512
288.2211 152.9706
288.7032 161.3045
289.1853 170.3914
289.6674 180.1818
290.1496 190.7498
290.6317 201.2122
291.1138 210.7048
291.5959 219.5158
292.0780 228.4484
292.5602 237.7880
293.0423 247.3267
293.5244 256.7152
294.0065 265.8930
294.4886 275.0309
294.9707 285.4117
295.4529 296.4022
295.9350 305.0972
296.4171 310.1245
296.8992 313.2278
297.3813 317.2921
297.8634 322.1788
298.3456 326.9051
298.8277 330.5144
299.3098 333.2879
299.7919 335.9280
300.2740 338.6525
300.7561 341.2504
301.2383 343.2918
301.7204 344.8918
302.2025 346.2893
302.6846 346.9633
303.1667 347.6100
303.6488 349.3683
304.1310 352.4538
304.6131 356.6551
305.0952 361.3176
305.5773 366.7777
306.0594 373.9257
306.5415 384.6868
307.0237 396.7899
307.5058 407.4916
307.9879 416.0599
308.4700 425.5532
308.9521 438.7412
309.4343 454.5076
309.9164 471.1399
310.3985 488.3470
310.8806 506.1957
311.3627 524.2092
311.8448 542.4508
312.3270 562.5344
312.8091 585.7427
313.2912 611.3683
313.7733 638.5728
314.2554 667.8076
314.7375 697.8170
315.2197 727.7652
315.7018 757.9807
316.1839 788.9277
316.6660 819.7535
317.1481 852.2104
317.6302 887.3642
318.1124 926.7180
318.5945 967.3546
319.0766 1009.143
319.5587 1051.760
320.0408 1094.666
320.5229 1137.712
321.0051 1180.956
321.4872 1224.618
321.9693 1268.343
322.4514 1312.268
322.9335 1358.175
323.4156 1404.146
323.8978 1446.487
324.3799 1482.015
324.8620 1516.035
325.3441 1551.063
325.8262 1588.446
326.3083 1622.009
326.7905 1650.570
327.2726 1675.404
327.7547 1697.721
328.2368 1719.560
328.7189 1737.028
329.2010 1748.448
329.6832 1753.208
330.1653 1757.790
330.6474 1763.012
331.1295 1767.465
331.6116 1769.981
332.0938 1769.379
332.5759 1768.684
333.0580 1768.160
333.5401 1767.803
334.0222 1767.685
334.5043 1768.046
334.9865 1768.298
335.4686 1767.712
335.9507 1764.989
336.4328 1765.278
336.9149 1770.341
337.3970 1777.885
337.8792 1781.726
338.3613 1781.437
338.8434 1778.898
339.3255 1775.276
339.8076 1770.898
340.2898 1762.975
340.7719 1751.599
341.2540 1736.512
341.7361 1716.975
342.2182 1693.345
342.7003 1665.461
343.1825 1634.197
343.6646 1598.853
344.1467 1555.925
344.6288 1504.282
345.1109 1448.874
345.5930 1393.105
346.0752 1337.561
346.5573 1281.040
347.0394 1221.930
347.5215 1162.380
348.0036 1105.291
348.4857 1050.924
348.9679 999.2773
349.4500 949.8483
349.9321 902.5860
350.4142 857.5681
350.8963 814.5042
351.3784 773.7956
351.8606 736.3414
352.3427 702.4197
352.8248 672.0726
353.3069 646.8093
353.7890 624.7700
354.2711 603.1415
354.7533 581.8251
355.2354 561.5140
355.7175 543.1210
356.1996 526.2344
356.6817 510.2035
357.1638 493.8022
357.6460 478.9357
358.1281 467.4361
358.6102 459.1578
359.0923 451.3202
359.5744 442.2184
360.0565 432.7920
360.5387 424.0240
361.0208 416.4034
361.5029 409.2717
361.9850 402.5152
362.4671 396.1343
362.9492 390.0999
363.4314 383.9227
363.9135 378.4540
364.3956 374.2235
364.8777 371.4851
365.3598 369.5127
365.8419 369.2143
366.3241 369.3613
366.8062 368.1110
367.2883 363.1633
367.7704 358.7628
368.2526 356.2401
368.7347 355.9766
369.2168 355.4970
369.6989 354.4601
370.1810 353.3625
370.6631 352.5530
371.1453 351.5960
371.6274 351.5779
372.1095 352.7061
372.5916 354.9081
373.0737 357.7181
373.5558 361.4511
374.0380 365.3457
374.5201 368.7703
375.0022 371.0169
375.4843 375.2034
375.9664 382.0899
376.4485 390.3815
376.9307 397.6654
377.4128 403.7009
377.8949 409.5338
378.3770 415.8658
378.8591 422.5740
379.3412 427.4815
379.8234 430.3965
380.3055 432.0600
380.7876 433.3181
381.2697 434.1401
381.7518 433.9079
382.2339 432.5791
382.7161 430.0333
383.1982 425.8210
383.6803 420.0035
384.1624 412.9462
384.6445 405.2885
385.1266 396.6513
385.6088 385.7262
386.0909 371.8941
386.5730 357.2095
387.0551 344.3787
387.5372 332.8983
388.0193 321.0474
388.5015 307.8257
388.9836 293.9691
389.4657 280.1786
389.9478 266.4885
390.4299 252.9031
390.9120 239.5417
391.3942 226.2065
391.8763 212.8596
392.3584 199.1594
392.8405 185.7342
393.3226 172.8701
393.8047 160.5453
394.2869 148.6571
394.7690 136.9760
395.2511 125.8493
395.7332 115.5284
396.2154 106.2602
396.6975 97.40683
397.1796 88.62048
397.6617 80.09912
398.1438 72.25101
398.6259 65.58926
399.1081 59.06482
399.5902 52.26276
400.0723 45.02469
400.5544 38.50626
401.0365 32.94604
401.5186 27.89557
402.0008 23.06808
402.4829 18.40714
402.9650 13.97510
403.4471 9.667297
403.9292 5.573181
404.4113 2.244385
404.8935 0.1595760
405.3756 2.230133
405.8577 4.274841
406.3398 6.289032
406.8219 8.097717
407.3040 9.690948
407.7862 11.09509
408.2683 12.27670
408.7504 13.21863
409.2325 14.45563
409.7146 16.61130
410.1967 19.07892
410.6789 19.71674
411.1610 18.46265
411.6431 16.95410
412.1252 16.77609
412.6073 17.47791
413.0894 17.73041
413.5716 17.12671
414.0537 16.26672
414.5358 15.90610
415.0179 15.90698
415.5000 15.83652
415.9821 15.93143
416.4643 15.57812
416.9464 13.89117
417.4285 10.73630
417.9106 7.433014
418.3927 4.633728
418.8748 2.235474
419.3570 0.1481630
419.8391 1.182526
420.3212 2.685120
420.8033 4.732697
421.2854 7.286438
421.7675 10.16339
422.2497 13.58105
422.7318 17.11130
423.2139 20.61276
423.6960 24.46806
424.1781 27.42252
424.6602 27.97331
425.1424 27.90886
425.6245 29.89474
426.1066 35.88246
426.5887 41.43256
427.0709 45.52319
427.5530 48.15399
428.0351 50.74394
428.5172 53.31488
428.9993 55.83357
429.4814 58.22964
429.9636 60.40414
430.4457 62.87419
430.9278 65.82072
431.4099 68.94489
431.8920 71.59483
432.3741 73.75754
432.8563 75.64383
433.3384 76.89789
433.8205 77.79709
434.3026 80.71851
434.7847 85.94713
435.2668 90.99402
435.7490 92.56335
436.2311 91.67459
436.7132 92.02151
437.1953 95.01703
437.6774 99.06387
438.1595 102.1926
438.6417 104.5419
439.1238 106.6864
439.6059 108.8049
440.0880 110.9826
440.5701 113.2244
441.0522 115.4906
441.5344 118.1786
442.0165 121.8938
442.4986 126.0595
442.9807 129.9550
443.4628 132.7633
443.9449 135.8234
444.4271 139.8307
444.9092 144.6235
445.3913 149.2865
445.8734 153.6811
446.3555 157.7516
446.8376 161.3579
447.3198 163.8292
447.8019 167.1269
448.2840 171.9262
448.7661 177.3047
449.2482 181.9571
449.7303 185.3578
450.2125 188.8063
450.6946 192.6801
451.1767 196.9584
451.6588 200.9350
452.1409 204.6634
452.6230 208.0528
453.1052 211.0374
453.5873 213.6339
454.0694 215.8094
454.5515 217.6484
455.0337 218.8627
455.5158 218.7550
455.9979 217.3907
456.4800 215.8523
456.9621 214.9838
457.4442 214.0885
457.9264 211.4947
458.4085 207.2844
458.8906 202.2909
459.3727 196.5984
459.8548 190.5623
460.3369 185.1135
460.8191 180.7630
461.3012 176.2869
461.7833 170.5758
462.2654 164.0273
462.7475 157.4684
463.2296 150.5787
463.7118 143.8372
464.1939 137.6797
464.6760 132.1409
465.1581 126.9840
465.6402 122.3120
466.1223 117.6783
466.6045 112.8665
467.0866 107.6566
467.5687 102.5623
468.0508 97.89491
468.5329 93.39970
469.0150 88.22113
469.4972 81.49266
469.9793 75.43073
470.4614 70.90204
470.9435 68.07265
471.4256 65.34892
471.9077 62.75481
472.3899 59.90207
472.8720 56.31952
473.3541 51.90701
473.8362 48.27139
474.3183 45.84203
474.8004 44.05714
475.2826 41.63213
475.7647 38.62442
476.2468 35.93413
476.7289 34.07494
477.2110 32.84068
477.6931 31.83417
478.1753 30.99521
478.6574 30.17897
479.1395 29.47311
479.6216 28.66998
480.1037 27.39946
480.5858 25.12956
481.0680 23.16646
481.5501 22.82271
482.0322 23.42455
482.5143 23.58072
482.9964 21.92349
483.4786 20.41133
483.9607 20.19122
484.4428 21.44934
484.9249 22.31679
485.4070 22.12042
485.8892 21.62973
486.3713 21.37614
486.8534 21.50287
487.3355 21.66920
487.8176 22.07910
488.2997 22.47450
488.7819 22.18584
489.2640 20.82520
489.7461 19.65108
490.2282 19.14751
490.7103 19.23967
491.1924 19.06960
491.6746 18.62312
492.1567 17.99347
492.6388 16.98145
493.1209 15.68340
493.6030 15.39539
494.0851 16.56084
494.5673 17.98192
495.0494 17.82143
495.5315 16.39935
496.0136 14.90778
496.4957 13.80032
496.9778 12.96968
497.4600 12.40752
497.9421 12.06822
498.4242 11.47791
498.9063 9.594009
499.3884 7.757141
499.8705 7.340546
500.3527 9.472061
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1302.596 0.0000000E+00
