#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:32 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1108 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000541.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_1000541
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 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            R060427.rod
_rod_data_source.block           3500000
_rod_database.code               1000541
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
170.1547 0.0000000E+00
170.6368 1.155945
171.1189 2.576172
171.6010 4.195679
172.0831 5.868835
172.5652 7.992981
173.0474 10.54657
173.5295 13.54041
174.0116 16.31677
174.4937 17.81973
174.9758 17.72162
175.4579 17.35269
175.9401 17.67319
176.4222 18.79767
176.9043 21.29709
177.3864 21.27106
177.8685 20.20346
178.3506 19.68607
178.8328 19.86206
179.3149 18.99472
179.7970 17.61179
180.2791 15.88062
180.7612 13.88623
181.2433 11.73111
181.7255 9.422180
182.2076 6.514130
182.6897 2.155884
183.1718 0.6940920
183.6539 0.9206850
184.1360 0.1047360
184.6181 1.121521
185.1003 1.552338
185.5824 1.494781
186.0645 1.250427
186.5466 6.8999998E-02
187.0287 0.2713010
187.5108 0.6014400
187.9930 2.353516
188.4751 4.590668
188.9572 7.076813
189.4393 9.749573
189.9214 12.44217
190.4035 14.76535
190.8857 17.52972
191.3678 21.21518
191.8499 25.42377
192.3320 29.46796
192.8141 32.91656
193.2962 35.87119
193.7784 39.14212
194.2605 42.77710
194.7426 46.57358
195.2247 50.55545
195.7068 54.66788
196.1889 58.80719
196.6711 62.95386
197.1532 67.05267
197.6353 70.87839
198.1174 73.70944
198.5995 77.01218
199.0816 82.03595
199.5638 88.57590
200.0459 94.99023
200.5280 100.0657
201.0101 104.4548
201.4922 110.3183
201.9743 118.4871
202.4565 126.1956
202.9386 133.6480
203.4207 141.0970
203.9028 147.8404
204.3849 153.8275
204.8670 159.8539
205.3492 166.3388
205.8313 173.1433
206.3134 180.0734
206.7955 186.2323
207.2776 191.5943
207.7597 196.1731
208.2419 199.4078
208.7240 201.5332
209.2061 203.2108
209.6882 204.9003
210.1703 206.3021
210.6524 206.8346
211.1346 206.2002
211.6167 205.3732
212.0988 204.9561
212.5809 204.4371
213.0630 203.3490
213.5451 201.5305
214.0273 198.9602
214.5094 195.5048
214.9915 190.6954
215.4736 185.7756
215.9557 181.3098
216.4378 176.7528
216.9200 171.4878
217.4021 165.2608
217.8842 158.3055
218.3663 151.3511
218.8484 144.6090
219.3305 137.5462
219.8127 130.1169
220.2948 122.3471
220.7769 114.0637
221.2590 105.1865
221.7411 96.11002
222.2232 88.00845
222.7054 81.85953
223.1875 75.61334
223.6696 69.06430
224.1517 62.37726
224.6338 55.64624
225.1159 48.88174
225.5980 42.33655
226.0802 36.76205
226.5623 33.29648
227.0444 29.49472
227.5265 25.06094
228.0086 21.44467
228.4907 17.56989
228.9729 13.47198
229.4550 9.472260
229.9371 6.546997
230.4192 5.288757
230.9013 4.083710
231.3834 2.942017
231.8656 1.661285
232.3477 0.3382570
232.8298 3.442383
233.3119 6.715546
233.7940 7.764130
234.2761 5.553894
234.7583 4.202271
235.2404 5.536194
235.7225 8.263641
236.2046 10.10153
236.6867 10.20987
237.1688 9.394867
237.6510 8.945648
238.1331 8.821075
238.6152 9.026428
239.0973 9.962769
239.5794 11.20984
240.0615 11.78717
240.5437 11.28970
241.0258 10.48145
241.5079 10.32834
241.9900 10.75327
242.4721 10.87903
242.9542 10.10938
243.4364 8.788025
243.9185 7.814270
244.4006 7.535522
244.8827 7.417450
245.3648 6.928253
245.8469 6.090027
246.3290 5.009888
246.8112 3.436279
247.2933 1.642334
247.7754 0.4752200
248.2575 0.2614750
248.7396 0.3666380
249.2217 0.3451840
249.7039 0.2231750
250.1860 5.0841998E-02
250.6681 2.2949001E-02
251.1502 9.9091001E-02
251.6323 0.6210940
252.1144 1.850739
252.5966 3.140930
253.0787 4.050995
253.5608 4.706421
254.0429 5.408295
254.5250 6.415771
255.0071 7.603577
255.4893 8.432037
255.9714 8.559692
256.4535 8.883453
256.9356 9.917816
257.4177 11.36234
257.8998 12.72028
258.3820 13.64551
258.8641 14.31531
259.3462 15.44781
259.8283 17.62122
260.3104 19.26050
260.7925 19.42764
261.2747 18.96939
261.7568 19.03580
262.2389 20.26703
262.7210 22.24866
263.2031 23.80460
263.6852 24.79514
264.1674 25.55951
264.6495 25.93866
265.1316 26.27139
265.6137 26.93469
266.0958 28.10010
266.5779 29.59613
267.0601 31.02313
267.5422 32.36050
268.0243 33.65088
268.5064 34.95886
268.9885 36.20645
269.4706 37.10425
269.9528 37.58484
270.4349 38.20764
270.9170 40.14777
271.3991 44.21912
271.8812 48.03183
272.3633 50.70419
272.8455 53.52841
273.3276 57.66425
273.8097 63.31808
274.2918 69.59930
274.7739 75.09909
275.2560 79.15347
275.7382 83.85916
276.2202 89.19577
276.7024 95.04880
277.1845 101.2894
277.6666 107.9566
278.1487 115.3005
278.6308 123.8790
279.1129 134.5710
279.5951 143.2906
280.0772 148.2142
280.5593 153.1191
281.0414 160.2653
281.5235 169.4677
282.0056 178.9555
282.4878 186.9560
282.9699 193.2151
283.4520 200.1612
283.9341 208.1178
284.4162 216.3589
284.8983 224.5604
285.3805 232.7938
285.8626 241.3468
286.3447 250.4977
286.8268 260.2010
287.3089 269.7455
287.7910 278.9344
288.2732 288.1779
288.7553 297.8809
289.2374 307.6485
289.7195 316.6847
290.2016 324.4702
290.6837 330.9980
291.1659 336.8019
291.6480 341.8030
292.1301 346.6337
292.6122 351.2686
293.0943 355.5551
293.5764 359.6037
294.0586 363.6123
294.5407 367.2253
295.0228 369.2525
295.5049 368.0009
295.9870 367.0733
296.4691 366.8858
296.9513 366.8840
297.4334 366.3544
297.9155 365.1404
298.3976 363.9011
298.8797 363.6596
299.3618 364.9252
299.8440 366.2080
300.3261 367.3140
300.8082 368.6246
301.2903 370.4290
301.7724 372.7529
302.2545 375.4745
302.7367 378.4399
303.2188 381.4662
303.7009 385.8460
304.1830 392.0211
304.6651 399.1084
305.1472 406.2933
305.6294 413.6638
306.1115 422.1399
306.5936 432.6343
307.0757 445.3188
307.5578 457.8208
308.0399 469.8148
308.5221 481.9932
309.0042 494.5548
309.4863 507.5443
309.9684 520.8038
310.4505 534.1600
310.9326 547.7169
311.4148 561.8364
311.8969 576.2031
312.3790 591.4525
312.8611 608.1238
313.3432 625.6940
313.8253 643.6305
314.3075 661.6708
314.7896 679.6009
315.2717 696.9446
315.7538 713.1513
316.2359 729.6552
316.7180 746.2679
317.2001 763.3739
317.6823 781.6517
318.1644 801.3359
318.6465 821.4363
319.1286 840.6241
319.6107 858.6990
320.0928 875.7728
320.5750 891.9510
321.0571 907.1527
321.5392 921.3123
322.0213 934.3884
322.5034 946.5973
322.9855 958.0692
323.4677 968.8965
323.9498 978.3929
324.4319 987.1312
324.9140 994.2792
325.3961 999.5855
325.8782 1002.980
326.3604 1004.431
326.8425 1003.868
327.3246 1001.336
327.8067 997.1517
328.2888 990.8734
328.7709 983.7465
329.2531 976.5385
329.7352 968.6364
330.2173 958.7104
330.6994 946.0469
331.1815 931.7456
331.6636 918.6490
332.1458 909.0272
332.6279 897.8213
333.1100 884.1082
333.5921 869.2009
334.0742 853.7776
334.5563 838.2898
335.0385 823.6020
335.5206 811.3907
336.0027 803.6964
336.4848 792.9400
336.9669 777.3383
337.4490 760.3342
337.9312 743.8758
338.4133 728.1364
338.8954 712.6664
339.3775 697.1782
339.8596 681.7469
340.3417 664.8060
340.8239 644.9169
341.3060 625.3185
341.7881 607.4669
342.2702 590.6978
342.7523 573.6797
343.2344 555.6694
343.7166 536.9491
344.1987 518.8210
344.6808 501.2078
345.1629 484.2747
345.6450 468.1861
346.1271 452.8178
346.6093 438.0668
347.0914 423.9871
347.5735 410.4334
348.0556 397.3799
348.5377 384.1565
349.0198 372.8018
349.5020 363.9976
349.9841 356.1927
350.4662 348.3447
350.9483 340.4291
351.4304 333.1983
351.9125 327.5979
352.3947 323.8568
352.8768 320.3092
353.3589 316.2508
353.8410 312.9800
354.3231 311.4545
354.8052 311.1304
355.2874 310.7908
355.7695 309.5843
356.2516 307.7410
356.7337 306.5090
357.2158 306.2165
357.6979 306.0995
358.1800 305.6956
358.6621 305.4532
359.1443 306.0733
359.6264 307.8302
360.1085 310.0699
360.5906 311.7070
361.0727 312.8500
361.5548 313.0606
362.0370 312.1600
362.5191 310.5072
363.0012 307.9754
363.4833 304.7093
363.9654 301.4559
364.4475 299.3126
364.9297 298.4355
365.4118 295.9796
365.8939 290.7399
366.3760 285.1228
366.8581 280.2332
367.3402 275.7178
367.8224 270.7399
368.3045 264.7509
368.7866 258.0663
369.2687 251.4944
369.7508 244.8479
370.2329 238.8027
370.7151 234.4445
371.1972 230.3356
371.6793 224.5793
372.1614 216.4797
372.6435 208.2530
373.1256 203.0677
373.6078 201.1896
374.0899 198.6587
374.5720 194.1738
375.0541 189.1717
375.5362 184.7467
376.0183 180.8571
376.5005 176.9083
376.9826 172.3252
377.4647 167.3250
377.9468 162.7713
378.4289 158.9880
378.9110 155.0340
379.3932 149.8059
379.8753 143.9865
380.3574 138.9598
380.8395 135.7252
381.3216 132.9344
381.8037 128.8711
382.2859 123.5021
382.7680 118.0871
383.2501 113.2325
383.7322 108.6023
384.2143 103.4935
384.6964 97.69658
385.1786 92.24211
385.6607 88.23386
386.1428 85.08813
386.6249 81.09930
387.1070 75.72186
387.5891 69.91815
388.0713 64.67554
388.5534 59.94815
389.0355 55.53743
389.5176 51.61237
389.9997 47.85640
390.4818 43.96654
390.9640 39.91055
391.4461 35.78429
391.9282 31.46523
392.4103 27.16731
392.8924 23.84848
393.3745 22.16524
393.8567 20.63997
394.3388 18.95108
394.8209 16.98779
395.3030 14.44846
395.7851 11.12790
396.2672 7.523468
396.7494 4.432037
397.2315 1.895966
397.7136 0.1177370
398.1957 1.546188
398.6778 2.524048
399.1599 2.899002
399.6420 2.809601
400.1241 2.937210
400.6063 3.935318
401.0884 5.847015
401.5705 7.428452
402.0526 8.688568
402.5347 9.667969
403.0168 10.31442
403.4990 10.70186
403.9811 10.87740
404.4632 10.85437
404.9453 10.74762
405.4274 10.85835
405.9095 11.49232
406.3917 11.80002
406.8738 11.60252
407.3559 11.21608
407.8380 10.84254
408.3201 10.51949
408.8022 10.20833
409.2844 9.932190
409.7665 9.714737
410.2486 9.090393
410.7307 7.529358
411.2128 6.121246
411.6949 5.184677
412.1771 4.614059
412.6592 4.262024
413.1413 4.097763
413.6234 3.975357
414.1055 3.605133
414.5876 3.007233
415.0698 2.089508
415.5519 0.4072270
416.0340 1.334412
416.5161 2.601181
416.9982 3.341690
417.4803 3.963089
417.9625 4.730530
418.4446 5.661652
418.9267 6.898743
419.4088 8.652924
419.8909 10.33392
420.3730 11.36481
420.8552 12.07994
421.3373 13.20664
421.8194 15.36687
422.3015 17.59865
422.7836 18.61919
423.2657 18.45241
423.7479 18.38457
424.2300 18.82022
424.7121 19.74744
425.1942 21.16444
425.6763 23.18036
426.1584 25.03804
426.6406 26.37323
427.1227 27.38043
427.6048 28.37526
428.0869 29.41386
428.5690 30.33348
429.0511 30.82680
429.5333 30.93904
430.0154 31.82626
430.4975 34.27461
430.9796 36.75198
431.4617 38.35370
431.9438 39.28299
432.4260 40.13632
432.9081 41.18890
433.3902 42.38504
433.8723 43.56828
434.3544 44.73010
434.8365 45.81453
435.3187 46.38666
435.8008 47.17400
436.2829 49.07182
436.7650 51.99193
437.2471 54.88402
437.7292 56.74954
438.2114 57.56506
438.6935 58.35591
439.1756 59.03233
439.6577 59.78873
440.1398 60.53371
440.6219 61.44454
441.1040 62.87252
441.5862 64.90179
442.0683 67.10237
442.5504 68.61482
443.0325 69.17381
443.5146 69.97971
443.9967 71.32076
444.4789 72.66792
444.9610 73.90801
445.4431 74.97989
445.9252 75.73535
446.4073 75.89877
446.8894 75.68378
447.3716 76.05662
447.8537 77.46547
448.3358 78.42155
448.8179 77.87038
449.3000 76.61189
449.7821 75.41553
450.2643 74.40788
450.7464 73.67867
451.2285 73.48793
451.7106 73.70409
452.1927 73.73345
452.6748 73.54824
453.1570 72.97679
453.6391 71.62804
454.1212 69.66341
454.6033 67.75391
455.0854 66.30170
455.5675 64.79969
456.0497 62.56653
456.5318 59.73454
457.0139 57.18271
457.4960 55.45789
457.9781 54.19582
458.4602 52.31989
458.9424 49.39315
459.4245 46.71127
459.9066 44.85281
460.3887 43.19289
460.8708 40.97987
461.3529 38.17552
461.8351 35.42367
462.3172 33.32784
462.7993 31.92919
463.2814 30.49702
463.7635 29.06466
464.2456 27.52779
464.7278 25.86246
465.2099 24.09495
465.6920 22.25970
466.1741 20.35947
466.6562 18.39336
467.1383 16.28996
467.6205 13.84593
468.1026 11.86151
468.5847 10.70175
469.0668 9.804977
469.5489 8.929085
470.0310 8.073082
470.5132 7.374413
470.9953 6.981140
471.4774 6.706360
471.9595 6.050209
472.4416 4.925644
472.9237 3.830536
473.4059 2.803116
473.8880 2.038124
474.3701 1.747589
474.8522 1.949684
475.3343 2.252502
475.8164 2.407837
476.2986 2.482933
476.7807 2.733330
477.2628 3.268730
477.7449 3.503937
478.2270 2.746353
478.7091 1.290833
479.1913 0.4196400
479.6734 0.5500560
480.1555 0.8825990
480.6376 1.078407
481.1197 1.173843
481.6018 1.201042
482.0839 1.159424
482.5660 1.188225
483.0482 1.529999
483.5303 2.378548
484.0124 2.800377
484.4945 2.501022
484.9766 2.081779
485.4587 1.846046
485.9409 1.751213
486.4230 1.616737
486.9051 1.334045
487.3872 0.9758220
487.8693 0.7574230
488.3514 0.7209630
488.8336 0.7412640
489.3157 0.9463500
489.7978 1.086098
490.2799 0.9094700
490.7620 0.4744420
491.2441 0.1015470
491.7263 6.5392002E-02
492.2084 0.3064350
492.6905 0.5538020
493.1726 0.8423390
493.6547 1.053833
494.1368 1.074936
494.6190 1.026794
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