#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:21 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1047 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000498.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_1000498
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        R050538
_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            R050538.rod
_rod_data_source.block           3500000
_rod_database.code               1000498
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
90.26532 0.0000000E+00
90.74744 1.337708
91.22955 10.78107
91.71167 22.76379
92.19379 31.51923
92.67590 37.65454
93.15802 40.27081
93.64014 37.98157
94.12225 33.80542
94.60437 31.99347
95.08649 34.52374
95.56860 37.81616
96.05072 36.10004
96.53284 32.17108
97.01495 31.59735
97.49707 33.19067
97.97919 30.65265
98.46130 24.87567
98.94342 20.85278
99.42554 19.04596
99.90765 18.22052
100.3898 18.93976
100.8719 19.54327
101.3540 17.29071
101.8361 11.47449
102.3182 5.657410
102.8004 0.9797970
103.2825 2.572815
103.7646 4.986023
104.2467 6.529480
104.7288 6.862122
105.2109 5.085571
105.6931 0.7426760
106.1752 4.950500
106.6573 11.73639
107.1394 21.35101
107.6215 29.22247
108.1036 36.02979
108.5858 41.44922
109.0679 43.10333
109.5500 37.40039
110.0321 30.72723
110.5142 26.51007
110.9963 26.68524
111.4785 27.09241
111.9606 27.10095
112.4427 26.74292
112.9248 27.15808
113.4069 28.67566
113.8890 30.90430
114.3712 33.56134
114.8533 37.24994
115.3354 40.72717
115.8175 43.78650
116.2996 46.51831
116.7817 48.26685
117.2639 48.37195
117.7460 47.52069
118.2281 46.58002
118.7102 46.26080
119.1923 45.66809
119.6744 44.00909
120.1566 35.57111
120.6387 42.26514
121.1208 46.04858
121.6029 47.07666
122.0850 37.06799
122.5671 41.32770
123.0493 39.87598
123.5314 38.19244
124.0135 44.46826
124.4956 36.08429
124.9777 42.24042
125.4598 42.59406
125.9420 45.59662
126.4241 42.83667
126.9062 41.84625
127.3883 46.61255
127.8704 48.20068
128.3525 41.79193
128.8347 44.14270
129.3168 48.70728
129.7989 53.05310
130.2810 54.62756
130.7631 54.15613
131.2452 54.85687
131.7274 58.29919
132.2095 63.08514
132.6916 65.15106
133.1737 64.24329
133.6558 62.49762
134.1379 61.90436
134.6201 62.45776
135.1022 63.32013
135.5843 64.16742
136.0664 65.08313
136.5485 66.62250
137.0306 68.79651
137.5128 71.61304
137.9949 75.26337
138.4770 79.87280
138.9591 84.81555
139.4412 90.41693
139.9233 96.81995
140.4055 100.9922
140.8876 102.4780
141.3697 102.1553
141.8518 101.1097
142.3339 98.51086
142.8160 97.04926
143.2982 98.17358
143.7803 103.3000
144.2624 106.2646
144.7445 105.8531
145.2266 103.6583
145.7087 103.3698
146.1909 105.9845
146.6730 109.2437
147.1551 112.4045
147.6372 116.0663
148.1193 118.6898
148.6014 119.4395
149.0836 118.9254
149.5657 119.3126
150.0478 121.3697
150.5299 123.6930
151.0120 125.6900
151.4941 127.0279
151.9763 128.3816
152.4584 129.9064
152.9405 131.5094
153.4226 132.7753
153.9047 132.8704
154.3868 133.1217
154.8690 134.2369
155.3511 138.4045
155.8332 141.1801
156.3153 141.4831
156.7974 139.5421
157.2795 137.2605
157.7617 134.3669
158.2438 131.6743
158.7259 129.7597
159.2080 129.2540
159.6901 129.0132
160.1722 128.9016
160.6544 128.8475
161.1365 128.2510
161.6186 126.4014
162.1007 124.2877
162.5828 122.8238
163.0649 123.5714
163.5471 124.3457
164.0292 123.8636
164.5113 121.9737
164.9934 119.5436
165.4755 116.5734
165.9576 113.3917
166.4398 110.4459
166.9219 108.5797
167.4040 106.4799
167.8861 103.0908
168.3682 98.28754
168.8503 93.38861
169.3325 88.91418
169.8146 84.93005
170.2967 81.59772
170.7788 80.11871
171.2609 78.65546
171.7430 75.25079
172.2252 69.58899
172.7073 63.70435
173.1894 59.23120
173.6715 55.72931
174.1536 52.35352
174.6357 48.45007
175.1179 44.47455
175.6000 40.92737
176.0821 37.87610
176.5642 35.27924
177.0463 33.23895
177.5284 31.65552
178.0106 30.25537
178.4927 29.05603
178.9748 27.90369
179.4569 26.35822
179.9390 24.17389
180.4211 22.35150
180.9033 22.23737
181.3854 23.60455
181.8675 25.33716
182.3496 26.77319
182.8317 28.10510
183.3138 29.82898
183.7960 31.94556
184.2781 34.55280
184.7602 37.84436
185.2423 41.80219
185.7244 46.02252
186.2065 50.22766
186.6887 54.55609
187.1708 59.51099
187.6529 65.24060
188.1350 71.31183
188.6171 76.66724
189.0992 81.38770
189.5814 86.54810
190.0635 92.97418
190.5456 100.5502
191.0277 108.0031
191.5098 115.1230
191.9919 122.2133
192.4741 129.8059
192.9562 137.9297
193.4383 146.4388
193.9204 155.0601
194.4025 163.7447
194.8846 172.5594
195.3668 181.3975
195.8489 190.6114
196.3310 201.3180
196.8131 213.6862
197.2952 225.8088
197.7773 236.3250
198.2595 245.1627
198.7416 254.5135
199.2237 264.6465
199.7058 275.2479
200.1879 285.3319
200.6700 294.8430
201.1522 304.5631
201.6343 315.3110
202.1164 327.2549
202.5985 338.6196
203.0806 349.0933
203.5627 358.8027
204.0449 367.8160
204.5270 375.9224
205.0091 384.0044
205.4912 392.9794
205.9733 403.1947
206.4554 412.1306
206.9376 419.3497
207.4197 425.1027
207.9018 430.5569
208.3839 435.7323
208.8660 440.5959
209.3481 445.1797
209.8303 449.6544
210.3124 453.3409
210.7945 456.2638
211.2766 458.3879
211.7587 459.4836
212.2408 459.4473
212.7230 458.6049
213.2051 457.0688
213.6872 454.7075
214.1693 452.0006
214.6514 449.2170
215.1335 445.9922
215.6157 441.0573
216.0978 434.1062
216.5799 425.8800
217.0620 416.6320
217.5441 406.0115
218.0262 395.2836
218.5084 384.5490
218.9905 373.6987
219.4726 362.8423
219.9547 351.9081
220.4368 340.8263
220.9189 329.8070
221.4011 319.1271
221.8832 307.5179
222.3653 294.3691
222.8474 280.2236
223.3295 266.8575
223.8116 254.8626
224.2938 243.2012
224.7759 231.1738
225.2580 218.3648
225.7401 206.4231
226.2222 195.5018
226.7043 185.5148
227.1865 175.6437
227.6686 166.2021
228.1507 156.6927
228.6328 146.8571
229.1149 136.3235
229.5970 126.3904
230.0792 117.2676
230.5613 108.8176
231.0434 100.8396
231.5255 93.59155
232.0076 86.61884
232.4897 79.75049
232.9719 72.86346
233.4540 66.42468
233.9361 60.42438
234.4182 54.86621
234.9003 49.63037
235.3824 44.61041
235.8646 40.06207
236.3467 36.15686
236.8288 33.15875
237.3109 30.19452
237.7930 27.25000
238.2751 24.29181
238.7573 21.30115
239.2394 18.06805
239.7215 15.06384
240.2036 12.46478
240.6857 10.31598
241.1678 8.460327
241.6500 7.019287
242.1321 5.835266
242.6142 4.468262
243.0963 2.802673
243.5784 1.134949
244.0605 0.4120480
244.5427 1.895630
245.0248 3.111145
245.5069 3.919861
245.9890 4.509766
246.4711 5.327759
246.9532 6.683044
247.4354 7.752319
247.9175 8.167603
248.3996 7.746460
248.8817 7.189636
249.3638 6.206177
249.8459 5.230042
250.3281 5.203918
250.8102 6.869324
251.2923 8.165405
251.7744 8.253662
252.2565 6.716675
252.7386 5.742676
253.2208 5.680176
253.7029 5.921692
254.1850 5.456177
254.6671 3.885071
255.1492 2.411133
255.6313 1.525757
256.1135 1.407776
256.5956 0.7080690
257.0777 0.8752440
257.5598 2.715454
258.0419 3.910339
258.5240 4.114014
259.0062 4.426636
259.4883 5.340027
259.9704 6.944275
260.4525 7.493774
260.9346 6.551941
261.4167 5.102112
261.8989 4.264771
262.3810 4.215576
262.8631 4.403076
263.3452 4.888977
263.8273 5.677063
264.3094 5.738586
264.7916 4.853577
265.2737 3.628174
265.7558 2.627625
266.2379 1.951233
266.7200 1.248535
267.2021 0.4931640
267.6843 0.3339230
268.1664 1.505310
268.6485 3.134338
269.1306 4.885376
269.6127 6.539124
270.0948 8.171570
270.5770 9.430603
271.0591 10.33734
271.5412 10.82867
272.0233 10.47327
272.5054 9.095581
272.9875 7.371826
273.4697 5.767090
273.9518 4.298035
274.4339 2.806519
274.9160 1.321472
275.3981 0.2255860
275.8802 2.033020
276.3624 4.062012
276.8445 6.460571
277.3266 9.435242
277.8087 13.03406
278.2908 16.47809
278.7729 19.51172
279.2551 22.59167
279.7372 26.85724
280.2193 32.49152
280.7014 38.24243
281.1835 43.26593
281.6656 47.58545
282.1478 52.70880
282.6299 58.72162
283.1120 65.50732
283.5941 73.11902
284.0762 81.63220
284.5583 90.03540
285.0405 97.72003
285.5226 104.8135
286.0047 112.6727
286.4868 121.5023
286.9689 130.4365
287.4510 138.0896
287.9332 144.5287
288.4153 151.2331
288.8974 158.6614
289.3795 166.7388
289.8616 175.2379
290.3438 184.2603
290.8259 192.9782
291.3080 200.3270
291.7901 206.4327
292.2722 212.4525
292.7543 218.7300
293.2365 225.1155
293.7186 231.4445
294.2007 237.6790
294.6828 243.2286
295.1649 247.3199
295.6470 250.2183
296.1292 252.9180
296.6113 255.7097
297.0934 258.3596
297.5755 260.5094
298.0576 262.1808
298.5397 263.5488
299.0219 264.2971
299.5040 264.8848
299.9861 266.3649
300.4682 269.1365
300.9503 272.4775
301.4324 275.6823
301.9146 278.7073
302.3967 281.6543
302.8788 284.1567
303.3609 286.7840
303.8430 290.2889
304.3251 294.7681
304.8073 300.0385
305.2894 306.3566
305.7715 313.4302
306.2536 320.6855
306.7357 327.3482
307.2178 334.2242
307.7000 342.0997
308.1821 351.0255
308.6642 360.2874
309.1463 369.4094
309.6284 378.5911
310.1105 388.2701
310.5927 398.4775
311.0748 409.0785
311.5569 420.1279
312.0390 431.6664
312.5211 443.6014
313.0032 455.7492
313.4854 468.3976
313.9675 481.7091
314.4496 496.2156
314.9317 511.0466
315.4138 525.7610
315.8959 540.4020
316.3781 555.5953
316.8602 572.3743
317.3423 589.2411
317.8244 605.0051
318.3065 618.5956
318.7886 632.2039
319.2708 646.1351
319.7529 660.5021
320.2350 675.6848
320.7171 693.2454
321.1992 710.3726
321.6813 725.4415
322.1635 737.2184
322.6456 749.2299
323.1277 763.0540
323.6098 777.3658
324.0919 789.9983
324.5740 799.2375
325.0562 807.8375
325.5383 816.9803
326.0204 827.4183
326.5025 835.3914
326.9846 839.3363
327.4667 841.2384
327.9489 843.2608
328.4310 847.3779
328.9131 849.5491
329.3952 848.8853
329.8773 845.3900
330.3594 841.4304
330.8416 837.0604
331.3237 832.2780
331.8058 827.0902
332.2879 821.4705
332.7700 815.3937
333.2521 808.5952
333.7343 801.1689
334.2164 793.8810
334.6985 787.3259
335.1806 780.0916
335.6627 771.2506
336.1448 760.3322
336.6270 749.4535
337.1091 738.7106
337.5912 728.1386
338.0733 717.7556
338.5554 707.8827
339.0375 697.5336
339.5197 686.1359
340.0018 673.7345
340.4839 661.4896
340.9660 649.7380
341.4481 637.9478
341.9302 625.6140
342.4124 612.5547
342.8945 599.8350
343.3766 587.6110
343.8587 575.9729
344.3408 564.6769
344.8229 553.7646
345.3051 543.1984
345.7872 533.3100
346.2693 524.0350
346.7514 514.1403
347.2335 503.0123
347.7156 491.7017
348.1978 482.7441
348.6799 476.0339
349.1620 470.0312
349.6441 463.6250
350.1262 457.1355
350.6083 451.4137
351.0905 446.5533
351.5726 442.2070
352.0547 437.8245
352.5368 433.5834
353.0189 429.9774
353.5010 427.0052
353.9832 424.8096
354.4653 423.8458
354.9474 424.1355
355.4295 424.7334
355.9116 424.8268
356.3937 424.8021
356.8759 425.2051
357.3580 426.6465
357.8401 428.0881
358.3222 428.5972
358.8043 428.3439
359.2864 428.4949
359.7686 430.3129
360.2507 432.5206
360.7328 434.0217
361.2149 434.4822
361.6970 434.3235
362.1791 433.6157
362.6613 432.4028
363.1434 430.7952
363.6255 429.0485
364.1076 426.7200
364.5897 423.5828
365.0718 419.6846
365.5540 415.0210
366.0361 409.0527
366.5182 402.5079
367.0003 396.2617
367.4824 391.8578
367.9645 386.2967
368.4467 378.5471
368.9288 368.6599
369.4109 358.8846
369.8930 349.1520
370.3751 339.6128
370.8572 330.3019
371.3394 321.0919
371.8215 312.5682
372.3036 305.0740
372.7857 298.2883
373.2678 290.9404
373.7499 282.7056
374.2321 274.3197
374.7142 266.2258
375.1963 258.4572
375.6784 250.4749
376.1605 242.1325
376.6426 233.8101
377.1248 226.5008
377.6069 220.2402
378.0890 214.2067
378.5711 208.3040
379.0532 202.4362
379.5353 196.4222
380.0175 190.2110
380.4996 183.7827
380.9817 176.8879
381.4638 169.6526
381.9459 162.7909
382.4280 156.5808
382.9102 150.7538
383.3923 145.0871
383.8744 139.4998
384.3565 133.8052
384.8386 127.7575
385.3207 121.5453
385.8029 115.9069
386.2850 110.9366
386.7671 106.0469
387.2492 100.4175
387.7313 94.34937
388.2134 88.66217
388.6956 84.28955
389.1777 80.19824
389.6598 75.16748
390.1419 69.28827
390.6240 63.83112
391.1061 59.83698
391.5883 56.50073
392.0704 52.94073
392.5525 48.66278
393.0346 44.49554
393.5167 40.81812
393.9988 37.49310
394.4810 34.07172
394.9631 29.74744
395.4452 25.79077
395.9273 23.04041
396.4094 22.11517
396.8915 20.70627
397.3737 17.94318
397.8558 14.60873
398.3379 11.66803
398.8200 9.140930
399.3021 7.085480
399.7842 5.738953
400.2664 5.092865
400.7485 3.945953
401.2306 1.772980
401.7127 0.3723450
402.1948 1.762360
402.6769 1.922546
403.1591 2.387512
403.6412 3.392700
404.1233 4.683380
404.6054 5.662689
405.0875 6.209900
405.5696 6.736755
406.0518 7.451752
406.5339 8.363068
407.0160 9.020081
407.4981 9.366760
407.9802 9.542816
408.4623 9.653290
408.9445 9.700592
409.4266 9.826172
409.9087 10.18567
410.3908 10.53635
410.8729 10.20963
411.3550 9.219208
411.8372 8.058075
412.3193 6.932129
412.8014 5.910187
413.2835 5.271240
413.7656 5.175903
414.2477 4.989441
414.7299 3.970276
415.2120 2.326294
415.6941 0.5506590
416.1762 1.435760
416.6583 3.239563
417.1404 4.315277
417.6226 4.683624
418.1047 5.203918
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