#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:26:48 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1097 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000533.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_1000533
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 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            R050538.rod
_rod_data_source.block           3500000
_rod_database.code               1000533
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
98.79168 0.0000000E+00
99.27380 2.121338
99.75591 4.005920
100.2380 5.235596
100.7201 6.420471
101.2023 7.828796
101.6844 9.220947
102.1665 10.51773
102.6486 10.85031
103.1307 11.03891
103.6128 12.27762
104.0950 15.15399
104.5771 18.60272
105.0592 20.53387
105.5413 21.56024
106.0234 22.97394
106.5055 25.73126
106.9877 29.42035
107.4698 31.82111
107.9519 32.65387
108.4340 32.73956
108.9161 31.67081
109.3982 30.80136
109.8804 31.44287
110.3625 31.73624
110.8446 31.14655
111.3267 29.25101
111.8088 26.13739
112.2909 22.95938
112.7731 20.59509
113.2552 19.06900
113.7373 17.81573
114.2194 16.18793
114.7015 14.01843
115.1836 12.04376
115.6658 10.38901
116.1479 8.848114
116.6300 7.217499
117.1121 5.426300
117.5942 3.746185
118.0763 2.698059
118.5584 2.695160
119.0406 2.331757
119.5227 0.7441710
120.0048 1.584229
120.4869 3.339569
120.9690 3.881317
121.4511 3.440125
121.9333 2.758820
122.4154 1.797821
122.8975 0.7126770
123.3796 0.3575130
123.8617 1.394073
124.3438 2.527985
124.8260 4.041138
125.3081 5.604614
125.7902 6.854767
126.2723 7.536163
126.7544 7.992340
127.2365 9.031708
127.7187 10.99396
128.2008 13.06534
128.6829 14.93057
129.1650 16.74078
129.6471 18.71054
130.1292 21.00076
130.6114 23.58154
131.0935 26.02814
131.5756 28.02695
132.0577 30.19705
132.5398 32.75687
133.0219 35.63010
133.5041 38.55997
133.9862 41.28619
134.4683 43.70074
134.9504 46.79593
135.4325 51.10199
135.9146 55.52377
136.3968 59.40488
136.8789 62.69278
137.3610 65.78516
137.8431 69.14093
138.3252 72.90222
138.8073 76.29080
139.2895 79.17029
139.7716 81.67203
140.2537 84.00784
140.7358 86.26251
141.2179 88.25604
141.7000 89.49512
142.1821 89.99634
142.6643 90.81003
143.1464 92.56863
143.6285 94.82187
144.1106 96.69205
144.5927 98.03961
145.0748 98.96967
145.5570 99.45407
146.0391 99.53122
146.5212 99.32831
147.0033 98.51367
147.4854 96.91376
147.9675 96.30228
148.4497 98.15558
148.9318 100.4144
149.4139 102.0337
149.8960 102.7683
150.3781 103.0790
150.8602 103.5155
151.3424 103.9999
151.8245 104.8117
152.3066 106.2732
152.7887 107.8361
153.2708 109.1095
153.7529 109.9390
154.2351 110.3954
154.7172 110.6484
155.1993 110.6022
155.6814 110.4333
156.1635 110.2877
156.6456 110.9568
157.1278 111.1928
157.6099 110.8379
158.0920 110.0383
158.5741 109.4240
159.0562 109.4513
159.5383 109.1223
160.0205 108.1089
160.5026 106.5523
160.9847 104.7563
161.4668 102.8782
161.9489 100.9113
162.4310 98.89716
162.9131 96.73802
163.3953 94.63313
163.8774 92.63925
164.3595 90.77090
164.8416 89.21089
165.3237 88.30800
165.8058 87.75391
166.2880 86.80017
166.7701 85.03329
167.2522 83.06815
167.7343 81.69310
168.2164 81.05412
168.6985 80.36951
169.1807 79.09213
169.6628 77.52896
170.1449 76.03189
170.6270 74.76474
171.1091 73.63922
171.5912 72.47240
172.0734 71.30255
172.5555 70.00266
173.0376 68.79953
173.5197 67.41876
174.0018 65.39090
174.4839 62.32166
174.9661 58.39877
175.4482 54.84192
175.9303 52.06981
176.4124 49.25906
176.8945 46.25159
177.3766 43.00227
177.8588 39.43243
178.3409 35.50665
178.8230 31.29091
179.3051 27.54434
179.7872 24.59123
180.2693 21.82088
180.7515 19.05739
181.2336 16.31898
181.7157 13.72687
182.1978 11.40733
182.6799 9.380875
183.1620 7.342056
183.6441 4.893509
184.1263 2.767853
184.6084 1.437958
185.0905 0.8533780
185.5726 0.5731350
186.0547 0.1931300
186.5368 0.3489690
187.0190 0.5954280
187.5011 0.2420810
187.9832 0.2052150
188.4653 0.4011840
188.9474 0.3090820
189.4296 4.1290000E-02
189.9117 0.4279790
190.3938 1.066208
190.8759 1.263550
191.3580 0.8974300
191.8401 8.3632998E-02
192.3223 1.200623
192.8044 3.053711
193.2865 4.907104
193.7686 5.979111
194.2507 6.545944
194.7328 7.498154
195.2150 9.364746
195.6971 11.71556
196.1792 13.75757
196.6613 15.36235
197.1434 16.99117
197.6255 18.99719
198.1077 21.24814
198.5898 23.42639
199.0719 25.17903
199.5540 26.76631
200.0361 29.23366
200.5182 33.26030
201.0004 37.28493
201.4825 40.11867
201.9646 42.15736
202.4467 44.43756
202.9288 48.14468
203.4109 53.21219
203.8930 57.21304
204.3752 59.10764
204.8573 60.92639
205.3394 63.44308
205.8215 66.48117
206.3036 69.51569
206.7857 72.04718
207.2679 74.04576
207.7500 76.73636
208.2321 81.21942
208.7142 85.41779
209.1963 88.56564
209.6784 90.81102
210.1606 92.73868
210.6427 94.82440
211.1248 97.07089
211.6069 99.35663
212.0890 102.2398
212.5711 104.6485
213.0533 106.1440
213.5354 106.7620
214.0175 106.7860
214.4996 106.4499
214.9817 105.7428
215.4638 104.6569
215.9460 102.8702
216.4281 101.0762
216.9102 99.75232
217.3923 98.81097
217.8744 97.73444
218.3565 96.07474
218.8387 93.76843
219.3208 91.12305
219.8029 88.02579
220.2850 84.71674
220.7671 81.26537
221.2492 77.70459
221.7314 74.13300
222.2135 70.62335
222.6956 67.18773
223.1777 63.82253
223.6598 60.75183
224.1419 57.58591
224.6240 53.92291
225.1062 49.76598
225.5883 45.63934
226.0704 41.84822
226.5525 38.47858
227.0346 35.67654
227.5167 34.07358
227.9989 32.66528
228.4810 30.41708
228.9631 27.25987
229.4452 24.13965
229.9273 21.85028
230.4094 20.15337
230.8916 18.35817
231.3737 16.04872
231.8558 13.77032
232.3379 12.27234
232.8200 11.66432
233.3021 11.06422
233.7843 9.642807
234.2664 7.911484
234.7485 6.700455
235.2306 6.523788
235.7127 6.687943
236.1948 6.150040
236.6770 4.701279
237.1591 3.402359
237.6412 2.941208
238.1233 2.892502
238.6054 2.811234
239.0875 2.513504
239.5697 2.194885
240.0518 2.226624
240.5339 2.747803
241.0160 3.158173
241.4981 3.212479
241.9802 3.035034
242.4624 2.635605
242.9445 1.942734
243.4266 1.319260
243.9087 1.485931
244.3908 2.793610
244.8729 3.895477
245.3550 4.506348
245.8372 4.785858
246.3193 4.790497
246.8014 4.523010
247.2835 4.043823
247.7656 3.410690
248.2477 2.480164
248.7299 1.744873
249.2120 1.519363
249.6941 1.441223
250.1762 1.210281
250.6583 0.7176210
251.1404 8.9905001E-02
251.6226 0.4809270
252.1047 1.047165
252.5868 1.431488
253.0689 1.168106
253.5510 1.021790
254.0331 1.736282
254.5153 3.421844
254.9974 5.371704
255.4795 6.444595
255.9616 6.029907
256.4437 6.035873
256.9258 6.740356
257.4080 7.620743
257.8901 8.557953
258.3722 9.413849
258.8543 9.853622
259.3364 9.290985
259.8185 7.020401
260.3007 5.539734
260.7828 5.159241
261.2649 5.133987
261.7470 5.165359
262.2291 5.135086
262.7112 4.925919
263.1934 4.358154
263.6755 3.240097
264.1576 2.474060
264.6397 2.311279
265.1218 2.219330
265.6039 2.062012
266.0861 1.742798
266.5682 1.045670
267.0503 0.3336180
267.5324 2.603394
268.0145 4.142639
268.4966 4.609970
268.9788 4.823364
269.4609 5.247467
269.9430 5.806183
270.4251 6.034485
270.9072 5.444244
271.3893 3.980957
271.8715 3.504440
272.3536 4.801071
272.8357 6.086884
273.3178 6.545715
273.7999 6.351410
274.2820 6.091431
274.7642 6.148178
275.2463 6.500229
275.7284 6.897903
276.2105 7.066360
276.6926 7.552826
277.1747 8.594452
277.6568 10.09773
278.1389 11.87198
278.6211 13.84599
279.1032 15.96487
279.5853 18.01534
280.0674 19.75354
280.5495 21.72359
281.0316 24.13963
281.5138 26.87149
281.9959 29.69093
282.4780 32.49474
282.9601 35.34451
283.4422 38.32399
283.9243 41.26479
284.4065 44.62096
284.8886 48.60643
285.3707 53.03333
285.8528 57.70348
286.3349 62.59109
286.8170 67.50841
287.2992 72.07033
287.7813 75.93167
288.2634 80.53101
288.7455 86.46271
289.2276 93.08040
289.7097 99.69917
290.1919 106.1836
290.6740 112.3704
291.1561 117.9212
291.6382 122.6429
292.1203 128.1528
292.6024 135.1751
293.0846 142.7468
293.5667 149.8612
294.0488 156.4218
294.5309 163.0353
295.0130 170.3694
295.4951 178.4381
295.9773 186.1181
296.4594 193.7370
296.9415 200.6802
297.4236 206.3969
297.9057 210.8947
298.3878 214.6502
298.8700 217.7744
299.3521 220.3554
299.8342 223.1639
300.3163 226.7594
300.7984 230.0397
301.2805 232.3396
301.7627 233.7796
302.2448 234.8924
302.7269 235.9803
303.2090 236.8491
303.6911 236.9619
304.1732 235.7612
304.6554 234.7844
305.1375 234.6533
305.6196 235.2645
306.1017 236.3803
306.5838 237.9530
307.0659 239.9304
307.5481 242.1598
308.0302 244.4940
308.5123 247.4158
308.9944 251.2089
309.4765 255.6394
309.9586 260.1071
310.4408 264.3195
310.9229 269.1542
311.4050 275.9474
311.8871 284.6533
312.3692 293.6126
312.8513 302.5319
313.3335 311.5463
313.8156 320.7848
314.2977 330.1852
314.7798 340.1463
315.2619 351.3146
315.7440 363.6536
316.2262 375.7794
316.7083 386.4688
317.1904 397.8013
317.6725 411.8458
318.1546 428.5234
318.6367 445.8195
319.1188 462.4757
319.6010 478.6877
320.0831 495.6842
320.5652 513.6269
321.0473 532.2761
321.5294 552.0491
322.0115 572.5165
322.4937 592.4607
322.9758 611.0113
323.4579 628.9015
323.9400 647.7012
324.4221 668.2513
324.9042 687.9478
325.3864 705.9946
325.8685 722.5615
326.3506 738.2371
326.8327 753.3069
327.3148 767.2162
327.7969 778.9784
328.2791 788.6438
328.7612 796.8006
329.2433 803.7092
329.7254 809.0508
330.2075 811.9125
330.6896 812.1379
331.1718 811.7733
331.6539 813.3405
332.1360 817.0082
332.6181 817.5248
333.1002 812.1774
333.5823 805.5666
334.0645 801.0811
334.5466 798.6876
335.0287 796.3394
335.5108 792.6475
335.9929 787.7626
336.4750 783.1600
336.9572 779.5284
337.4393 775.3757
337.9214 769.7648
338.4035 763.1234
338.8856 756.7273
339.3677 751.3468
339.8499 746.1694
340.3320 738.8666
340.8141 728.9047
341.2962 718.2317
341.7783 707.7614
342.2604 696.5699
342.7426 683.4584
343.2247 668.1403
343.7068 651.1545
344.1889 633.2234
344.6710 614.1805
345.1531 594.3384
345.6353 573.8542
346.1174 552.6675
346.5995 530.4069
347.0816 507.2730
347.5637 483.6967
348.0458 460.2336
348.5280 436.8652
349.0101 415.2115
349.4922 395.4625
349.9743 376.8386
350.4564 359.2213
350.9385 342.5848
351.4207 326.7734
351.9028 311.7471
352.3849 297.7077
352.8670 285.3466
353.3491 275.3572
353.8312 266.1701
354.3134 257.7553
354.7955 249.9312
355.2776 242.4180
355.7597 235.1643
356.2418 228.4521
356.7239 222.7204
357.2061 218.6054
357.6882 214.2116
358.1703 208.4090
358.6524 203.0858
359.1345 200.0816
359.6166 199.1907
360.0987 198.4601
360.5808 195.8280
361.0630 190.9615
361.5451 187.5842
362.0272 186.4817
362.5093 185.9285
362.9914 185.7094
363.4735 185.5986
363.9557 185.3345
364.4378 184.7536
364.9199 183.9013
365.4020 182.9725
365.8841 182.0482
366.3662 180.9159
366.8484 179.4868
367.3305 177.8933
367.8126 176.2281
368.2947 174.5388
368.7768 172.8615
369.2589 171.2854
369.7411 169.9462
370.2232 168.3328
370.7053 166.5983
371.1874 164.4648
371.6695 161.4190
372.1516 157.7001
372.6338 154.1349
373.1159 151.4434
373.5980 149.6152
374.0801 148.1921
374.5622 147.4877
375.0443 146.8232
375.5265 145.8231
376.0086 144.7394
376.4907 143.9653
376.9728 143.6806
377.4549 143.8197
377.9370 144.3035
378.4192 145.2767
378.9013 146.1850
379.3834 146.8789
379.8655 147.4481
380.3476 148.0382
380.8297 148.6714
381.3119 149.0245
381.7940 148.6513
382.2761 147.5670
382.7582 146.5979
383.2403 146.1319
383.7224 145.4399
384.2046 144.0766
384.6867 142.1212
385.1688 139.8189
385.6509 137.3044
386.1330 134.5565
386.6151 131.5361
387.0973 128.2928
387.5794 124.6272
388.0615 120.2242
388.5436 115.3417
389.0257 110.2933
389.5078 105.1356
389.9900 99.82213
390.4721 94.26714
390.9542 88.47540
391.4363 82.60281
391.9184 76.44513
392.4005 70.56435
392.8827 65.83615
393.3648 62.32617
393.8469 58.79327
394.3290 54.80077
394.8111 50.48184
395.2932 45.95050
395.7754 41.13486
396.2575 36.60318
396.7396 32.91154
397.2217 30.01785
397.7038 27.05196
398.1859 23.71443
398.6681 20.48726
399.1501 17.63544
399.6323 15.14654
400.1144 13.02218
400.5965 11.36424
401.0786 9.910614
401.5607 7.866348
402.0428 4.626373
402.5250 1.937111
403.0071 9.6481003E-02
403.4892 1.039536
403.9713 1.273590
404.4534 0.6518940
404.9355 0.1494290
405.4177 1.002373
405.8998 3.604156
406.3819 5.582611
406.8640 6.878471
407.3461 7.695122
407.8282 7.886848
408.3104 7.678375
408.7925 7.562782
409.2746 7.865982
409.7567 8.476120
410.2388 8.897041
410.7209 9.245537
411.2031 9.208221
411.6852 8.425728
412.1673 7.437607
412.6494 6.767471
413.1315 6.543236
413.6136 6.512466
414.0958 6.402527
414.5779 6.288574
415.0600 5.790314
415.5421 4.543045
416.0242 3.238869
416.5063 2.019974
416.9885 0.9540790
417.4706 0.1605830
417.9527 0.2300950
418.4348 0.3496550
418.9169 0.6417920
419.3990 1.138344
419.8812 1.747055
420.3633 2.346741
420.8454 3.083885
421.3275 4.219688
421.8096 5.831757
422.2917 7.391754
422.7739 8.171143
423.2560 8.225403
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