#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:45 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1161 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000580.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_1000580
loop_
_publ_author_name
'del Tanago, J.G.'
'La Iglesia, A.'
'Rius, J.'
'Fernandez Santin, S.'
_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        R050547
_chemical_formula_sum
'Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 H1.494 O9 P0.003 Pb1.924 Si0.085 V1.836 Zn0.009'
_chemical_name_systematic
;
(Pb1.924 Ba0.018 Ca0.007) (Fe0.965 Cu0.034 Zn0.009 Al0.004) ((V1.836 Si0.085 
As0.016 P0.003) O7.506 (O H)1.494)
;
_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_formula_units_Z            2
_cell_length_a                   7.649
_cell_length_b                   6.101
_cell_length_c                   8.904
_cell_volume                     384.635
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            delTanago_AMMIAY_2003_1201.cif
_cod_data_source_block
H1.494Al0.004As0.016Ba0.018Ca0.007Cu0.034Fe0.965O9P0.003Pb1.924Si0.085V1.836Zn0.009
_cod_original_cell_volume        384.6345
_cod_original_formula_sum
;
H1.494 Al0.004 As0.016 Ba0.018 Ca0.007 Cu0.034 Fe0.965 O9 P0.003 Pb1.924 
Si0.085 V1.836 Zn0.009
;
_cod_database_code               1532700
_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            R050547.rod
_rod_data_source.block           3500000
_rod_database.code               1000580
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 1532700 COD http://www.crystallography.net/cod/1532700.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
118.8934 0.0000000E+00
119.3755 9.100586
119.8576 0.4794920
120.3397 0.5864260
120.8218 1.208008
121.3039 0.8227540
121.7861 3.401367
122.2682 3.050293
122.7503 1.437500
123.2324 4.300781
123.7145 15.25098
124.1966 29.98193
124.6788 46.34424
125.1609 63.11670
125.6430 80.46533
126.1251 100.7964
126.6072 125.3188
127.0893 150.8237
127.5715 174.8682
128.0536 198.1812
128.5357 224.4111
129.0178 257.2710
129.4999 295.8623
129.9821 332.8477
130.4642 364.7197
130.9463 396.7764
131.4284 436.5796
131.9105 486.3433
132.3926 534.5864
132.8748 570.6006
133.3569 599.1509
133.8390 627.2300
134.3211 654.9561
134.8032 684.0923
135.2853 722.3140
135.7674 777.5972
136.2496 831.2949
136.7317 872.9399
137.2138 905.4194
137.6959 936.1821
138.1780 971.4751
138.6601 1011.910
139.1423 1050.458
139.6244 1085.451
140.1065 1119.910
140.5886 1155.179
141.0707 1191.133
141.5528 1226.996
142.0350 1261.684
142.5171 1294.467
142.9992 1328.026
143.4813 1362.259
143.9634 1396.973
144.4455 1432.474
144.9277 1468.606
145.4098 1505.084
145.8919 1541.675
146.3740 1580.065
146.8561 1615.442
147.3382 1645.350
147.8204 1672.948
148.3025 1702.798
148.7846 1737.139
149.2667 1772.341
149.7488 1801.236
150.2309 1824.674
150.7131 1844.361
151.1952 1859.762
151.6773 1871.168
152.1594 1881.500
152.6415 1892.899
153.1236 1901.394
153.6058 1902.886
154.0879 1895.413
154.5700 1884.448
155.0521 1875.674
155.5342 1869.425
156.0163 1859.900
156.4985 1843.963
156.9806 1824.059
157.4627 1801.237
157.9448 1775.333
158.4269 1748.184
158.9090 1722.958
159.3912 1701.870
159.8733 1677.004
160.3554 1644.698
160.8375 1609.137
161.3196 1573.028
161.8017 1537.554
162.2839 1503.136
162.7660 1471.775
163.2481 1448.214
163.7302 1421.114
164.2123 1387.763
164.6944 1350.456
165.1766 1312.536
165.6587 1275.733
166.1408 1239.569
166.6229 1199.331
167.1050 1151.988
167.5871 1103.908
168.0693 1056.369
168.5514 1008.916
169.0335 960.1309
169.5156 909.1860
169.9977 855.8188
170.4798 803.1455
170.9620 750.8696
171.4441 699.8848
171.9262 651.9736
172.4083 607.6519
172.8904 563.5093
173.3725 516.5557
173.8547 469.2529
174.3368 428.7368
174.8189 396.7017
175.3010 369.2017
175.7831 342.7754
176.2652 317.1450
176.7474 286.0894
177.2295 257.3438
177.7116 230.5688
178.1937 205.9180
178.6758 180.9629
179.1579 158.1582
179.6401 142.0146
180.1222 134.3960
180.6043 128.4561
181.0864 120.3291
181.5685 110.9922
182.0506 102.1460
182.5328 93.46191
183.0149 85.70264
183.4970 81.60449
183.9791 82.77734
184.4612 85.35254
184.9433 87.13965
185.4255 88.90234
185.9076 92.05469
186.3897 97.87012
186.8718 105.8042
187.3539 111.8594
187.8360 111.6846
188.3182 115.0269
188.8003 126.4814
189.2824 143.5303
189.7645 161.0952
190.2466 175.2705
190.7287 186.0396
191.2109 198.2822
191.6930 211.9194
192.1751 227.0527
192.6572 245.0322
193.1393 264.8765
193.6214 284.2104
194.1036 300.6318
194.5857 313.5757
195.0678 328.5132
195.5499 345.3853
196.0320 363.7324
196.5141 384.7676
196.9963 407.5884
197.4784 429.1367
197.9605 446.1587
198.4426 457.7720
198.9247 471.3921
199.4068 488.9517
199.8890 506.8208
200.3711 522.2178
200.8532 535.0806
201.3353 547.7656
201.8174 562.6777
202.2995 579.9839
202.7817 596.2202
203.2638 612.5991
203.7459 627.1001
204.2280 637.4829
204.7101 643.4448
205.1922 647.1074
205.6744 648.8955
206.1565 649.5112
206.6386 652.6118
207.1207 663.2407
207.6028 675.1440
208.0849 678.9600
208.5671 672.6309
209.0492 663.5371
209.5313 657.8271
210.0134 653.8887
210.4955 648.0747
210.9776 638.3330
211.4598 625.8716
211.9419 613.5020
212.4240 602.0996
212.9061 589.0498
213.3882 572.3794
213.8703 553.1865
214.3525 533.2891
214.8346 513.8379
215.3167 494.3896
215.7988 473.5366
216.2809 449.7935
216.7630 426.8213
217.2451 407.9282
217.7273 390.6328
218.2094 370.1992
218.6915 342.4141
219.1736 309.0742
219.6557 281.6836
220.1378 266.0088
220.6200 249.7012
221.1021 227.8281
221.5842 202.9746
222.0663 179.4248
222.5484 160.3384
223.0305 145.1890
223.5127 128.8174
223.9948 110.0664
224.4769 91.40869
224.9590 71.70654
225.4411 52.54053
225.9232 36.79834
226.4054 26.65918
226.8875 21.55957
227.3696 13.83057
227.8517 0.3686520
228.3338 12.45898
228.8159 23.02734
229.2981 32.00488
229.7802 40.79102
230.2623 50.48730
230.7444 60.83643
231.2265 68.46289
231.7086 71.78320
232.1908 74.42822
232.6729 77.74023
233.1550 81.05176
233.6371 82.65771
234.1192 81.24316
234.6013 77.45410
235.0835 76.41211
235.5656 82.15234
236.0477 85.77002
236.5298 83.58447
237.0119 77.26514
237.4940 70.22168
237.9762 64.04443
238.4583 59.03271
238.9404 56.58594
239.4225 58.87305
239.9046 60.91211
240.3867 61.20117
240.8689 60.02783
241.3510 57.78174
241.8331 54.25586
242.3152 49.99561
242.7973 46.84033
243.2794 45.82568
243.7616 44.07959
244.2437 39.10107
244.7258 32.12158
245.2079 27.29053
245.6900 27.14062
246.1721 29.27246
246.6543 28.66797
247.1364 24.53076
247.6185 20.04492
248.1006 17.14502
248.5827 15.35889
249.0648 12.69678
249.5470 7.823242
250.0291 2.618652
250.5112 8.0565996E-02
250.9933 0.6044920
251.4754 1.068848
251.9576 0.3872070
252.4397 1.600098
252.9218 5.989258
253.4039 14.33691
253.8860 23.59717
254.3681 30.23193
254.8503 34.26221
255.3324 38.05664
255.8145 42.84668
256.2966 48.55127
256.7787 54.88477
257.2608 62.21777
257.7430 69.64746
258.2251 76.52100
258.7072 82.86670
259.1893 88.83154
259.6714 93.48291
260.1535 97.43506
260.6357 104.4185
261.1178 116.3569
261.5999 129.4600
262.0820 142.5713
262.5641 155.0674
263.0462 165.0786
263.5284 169.4678
264.0105 169.5552
264.4926 173.5522
264.9747 183.2485
265.4568 194.5728
265.9389 206.1128
266.4211 217.5586
266.9032 228.0532
267.3853 235.8569
267.8674 242.3428
268.3495 254.2036
268.8316 275.3726
269.3138 296.1704
269.7959 312.3428
270.2780 325.9941
270.7601 339.9663
271.2422 355.2637
271.7243 372.4355
272.2065 393.0874
272.6886 417.3496
273.1707 445.2363
273.6528 477.8301
274.1349 513.0220
274.6170 548.0166
275.0992 581.6914
275.5813 614.8208
276.0634 648.5820
276.5455 681.2275
277.0276 718.4468
277.5097 762.2480
277.9919 809.6504
278.4740 858.1870
278.9561 907.1772
279.4382 956.5444
279.9203 1006.677
280.4024 1057.286
280.8846 1108.765
281.3667 1158.594
281.8488 1210.546
282.3309 1268.611
282.8130 1333.144
283.2951 1399.281
283.7773 1459.292
284.2594 1509.082
284.7415 1563.647
285.2236 1625.445
285.7057 1689.124
286.1878 1752.046
286.6700 1813.729
287.1521 1875.581
287.6342 1940.024
288.1163 2008.040
288.5984 2072.564
289.0805 2131.057
289.5627 2188.868
290.0448 2249.320
290.5269 2311.625
291.0090 2372.077
291.4911 2427.428
291.9732 2477.447
292.4554 2526.392
292.9375 2572.899
293.4196 2619.101
293.9017 2666.579
294.3838 2714.958
294.8659 2762.784
295.3481 2808.729
295.8302 2853.102
296.3123 2897.762
296.7944 2940.490
297.2765 2985.526
297.7586 3034.025
298.2408 3085.441
298.7229 3137.969
299.2050 3190.271
299.6871 3243.754
300.1692 3303.323
300.6513 3372.252
301.1335 3443.441
301.6156 3512.727
302.0977 3585.084
302.5798 3666.953
303.0619 3760.348
303.5440 3861.214
304.0262 3962.854
304.5083 4060.413
304.9904 4166.625
305.4725 4282.156
305.9546 4404.724
306.4367 4533.520
306.9189 4667.902
307.4010 4807.708
307.8831 4952.493
308.3652 5101.476
308.8473 5257.917
309.3294 5425.868
309.8116 5597.482
310.2937 5767.233
310.7758 5935.288
311.2579 6104.682
311.7400 6276.725
312.2221 6452.333
312.7043 6634.232
313.1864 6824.998
313.6685 7019.201
314.1506 7217.451
314.6327 7418.160
315.1148 7618.825
315.5970 7816.910
316.0791 8012.640
316.5612 8208.339
317.0433 8405.386
317.5254 8602.395
318.0075 8800.137
318.4897 8996.967
318.9718 9191.699
319.4539 9383.916
319.9360 9571.288
320.4181 9748.346
320.9002 9911.592
321.3824 10064.97
321.8645 10208.03
322.3466 10341.49
322.8287 10468.14
323.3108 10587.59
323.7929 10697.19
324.2751 10791.49
324.7572 10870.35
325.2393 10931.67
325.7214 10974.18
326.2035 11003.35
326.6856 11023.92
327.1678 11035.93
327.6499 11035.63
328.1320 11018.61
328.6141 10983.42
329.0962 10936.88
329.5783 10879.91
330.0605 10812.56
330.5426 10735.16
331.0247 10647.15
331.5068 10547.70
331.9889 10435.50
332.4710 10311.07
332.9532 10183.00
333.4353 10050.68
333.9174 9913.732
334.3995 9774.371
334.8816 9630.141
335.3637 9476.713
335.8459 9312.848
336.3280 9140.475
336.8101 8970.530
337.2922 8811.541
337.7743 8640.451
338.2564 8452.787
338.7386 8254.313
339.2206 8050.091
339.7028 7840.922
340.1849 7627.839
340.6670 7411.188
341.1491 7189.756
341.6312 6969.164
342.1133 6751.432
342.5955 6533.973
343.0776 6313.767
343.5597 6091.872
344.0418 5872.415
344.5239 5658.646
345.0060 5450.527
345.4882 5250.859
345.9703 5064.301
346.4524 4882.396
346.9345 4700.519
347.4166 4521.797
347.8987 4351.675
348.3809 4194.433
348.8630 4048.352
349.3451 3909.953
349.8272 3778.410
350.3093 3654.411
350.7914 3537.319
351.2736 3427.061
351.7557 3324.566
352.2378 3229.677
352.7199 3141.643
353.2020 3059.512
353.6841 2982.411
354.1663 2913.592
354.6484 2856.687
355.1305 2805.380
355.6126 2756.515
356.0947 2709.769
356.5768 2666.917
357.0590 2631.025
357.5411 2602.798
358.0232 2573.078
358.5053 2539.323
358.9874 2507.243
359.4695 2478.330
359.9517 2452.626
360.4338 2430.749
360.9159 2414.181
361.3980 2401.337
361.8801 2386.653
362.3622 2369.610
362.8444 2351.273
363.3265 2332.440
363.8086 2312.271
364.2907 2290.215
364.7728 2266.175
365.2549 2239.714
365.7371 2208.693
366.2192 2172.077
366.7013 2138.942
367.1834 2114.238
367.6655 2091.531
368.1476 2065.906
368.6298 2037.095
369.1119 2008.422
369.5940 1983.400
370.0761 1960.970
370.5582 1936.293
371.0403 1908.750
371.5225 1879.251
372.0046 1847.809
372.4867 1815.142
372.9688 1782.227
373.4509 1749.443
373.9330 1716.835
374.4152 1684.671
374.8973 1653.196
375.3794 1621.302
375.8615 1588.324
376.3436 1554.857
376.8257 1521.956
377.3079 1490.251
377.7900 1457.481
378.2721 1421.657
378.7542 1383.220
379.2363 1343.953
379.7184 1303.530
380.2006 1263.353
380.6827 1225.643
381.1648 1190.578
381.6469 1154.122
382.1290 1114.763
382.6111 1073.102
383.0933 1029.031
383.5754 982.1277
384.0575 937.0200
384.5396 897.9180
385.0217 864.1228
385.5038 826.9937
385.9860 783.8071
386.4681 739.7537
386.9502 696.7922
387.4323 655.5237
387.9144 617.1660
388.3965 582.8921
388.8787 551.3950
389.3608 519.6160
389.8429 487.8364
390.3250 454.8613
390.8071 416.9841
391.2892 379.2458
391.7714 348.9255
392.2535 327.4971
392.7356 308.6736
393.2177 285.2000
393.6998 255.5786
394.1819 228.2791
394.6641 204.3799
395.1462 181.4160
395.6283 157.7166
396.1104 133.8303
396.5925 112.0112
397.0746 93.53784
397.5568 78.31055
398.0389 64.79126
398.5210 55.17847
399.0031 44.88354
399.4852 32.20142
399.9673 19.09717
400.4495 7.674316
400.9316 1.381348
401.4137 9.206299
401.8958 17.53369
402.3779 26.73633
402.8600 35.39453
403.3422 44.67261
403.8243 52.60840
404.3064 57.85913
404.7885 60.82666
405.2706 62.90869
405.7527 65.04517
406.2349 67.24072
406.7170 68.85156
407.1991 68.85547
407.6812 69.70483
408.1633 72.66943
408.6454 76.38892
409.1276 79.63745
409.6097 81.96045
410.0918 83.01733
410.5739 81.98975
411.0560 78.37891
411.5381 75.11304
412.0203 73.42554
412.5024 71.46265
412.9845 67.63086
413.4666 62.25537
413.9487 57.28760
414.4308 54.18335
414.9130 52.59863
415.3951 51.51172
415.8772 51.57251
416.3593 50.49146
416.8414 45.38989
417.3235 38.82495
417.8057 34.60645
418.2878 34.82520
418.7699 35.33594
419.2520 32.08838
419.7341 25.33228
420.2162 17.33276
420.6984 7.766846
421.1805 1.462402
421.6626 7.739014
422.1447 11.08008
422.6268 14.01929
423.1089 17.36670
423.5911 20.94971
424.0732 24.14160
424.5553 26.85571
425.0374 30.62964
425.5195 37.39453
426.0016 46.47803
426.4838 52.94482
426.9659 54.30518
427.4480 55.67188
427.9301 59.52344
428.4122 65.15112
428.8943 70.87573
429.3765 75.98633
429.8586 81.38062
430.3407 88.77539
430.8228 99.72827
431.3049 109.4099
431.7870 117.6985
432.2692 124.7832
432.7513 129.4578
433.2334 132.6201
433.7155 137.7241
434.1976 147.9055
434.6797 162.6982
435.1619 175.3247
435.6440 183.5059
436.1261 192.0283
436.6082 202.6013
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