#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:17:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1065 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000510.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_1000510
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        R100087
_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 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            R100087.rod
_rod_data_source.block           3500000
_rod_database.code               1000510
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
116.0444 0.0000000E+00
116.5265 0.7370550
117.0086 2.049826
117.4907 3.645000
117.9728 5.197355
118.4550 6.816294
118.9371 8.694726
119.4192 10.67113
119.9013 12.77334
120.3834 15.47251
120.8655 18.26818
121.3477 20.44733
121.8298 22.17910
122.3119 24.06159
122.7940 26.18287
123.2761 28.17383
123.7582 30.93580
124.2404 36.19192
124.7225 40.24416
125.2046 43.12044
125.6867 44.55437
126.1688 42.81328
126.6509 38.75868
127.1331 34.38628
127.6152 29.77870
128.0973 25.23378
128.5794 20.77574
129.0615 16.52628
129.5436 12.83512
130.0258 9.974703
130.5079 7.493052
130.9900 4.401398
131.4721 0.6855740
131.9542 2.629936
132.4363 4.513687
132.9185 5.118938
133.4006 5.514069
133.8827 6.093243
134.3648 6.692165
134.8469 6.540249
135.3290 5.678688
135.8112 3.869484
136.2933 0.8688660
136.7754 3.375267
137.2575 8.446808
137.7396 14.25999
138.2217 20.64908
138.7039 28.10711
139.1860 36.82486
139.6681 46.34549
140.1502 56.40821
140.6323 67.05298
141.1144 77.63858
141.5966 87.81348
142.0787 97.24916
142.5608 107.5179
143.0429 118.9626
143.5250 131.0098
144.0071 142.1959
144.4893 151.8878
144.9714 161.5351
145.4535 171.4682
145.9356 181.2689
146.4177 192.5144
146.8998 205.7157
147.3820 220.4650
147.8641 235.8006
148.3462 250.8735
148.8283 267.0828
149.3104 285.4660
149.7925 307.7939
150.2747 329.8382
150.7568 350.5531
151.2389 370.1168
151.7210 390.7864
152.2031 413.8279
152.6852 436.9483
153.1674 459.0158
153.6495 479.2736
154.1316 498.9765
154.6137 519.0576
155.0958 539.5797
155.5779 557.1093
156.0601 570.0135
156.5422 580.3694
157.0243 589.7458
157.5064 598.1868
157.9885 605.9051
158.4706 612.5460
158.9528 617.8989
159.4349 624.0032
159.9170 632.2334
160.3991 641.2357
160.8812 649.4468
161.3633 654.2845
161.8455 659.9448
162.3276 668.7443
162.8097 681.3356
163.2918 694.0574
163.7739 705.0624
164.2560 714.1130
164.7382 716.2541
165.2203 718.2158
165.7024 720.3040
166.1845 720.9493
166.6666 719.2841
167.1487 718.5073
167.6309 721.2606
168.1130 726.2120
168.5951 730.4557
169.0772 733.3162
169.5593 734.6293
170.0414 734.2064
170.5236 731.9101
171.0057 728.2229
171.4878 723.9755
171.9699 718.7621
172.4520 711.3717
172.9341 700.0323
173.4163 686.5441
173.8984 673.0475
174.3805 660.1259
174.8626 646.9564
175.3447 631.8727
175.8268 615.3102
176.3090 599.3038
176.7911 585.9448
177.2732 574.0001
177.7553 561.4226
178.2374 546.8804
178.7195 532.3173
179.2017 520.3979
179.6838 510.8590
180.1659 502.1293
180.6480 492.5724
181.1301 482.8412
181.6122 474.3589
182.0944 467.8723
182.5765 462.5783
183.0586 456.7946
183.5407 450.5856
184.0228 445.1832
184.5049 441.6932
184.9871 439.9355
185.4692 439.3444
185.9513 440.0375
186.4334 441.6400
186.9155 443.3247
187.3976 445.0399
187.8798 447.2263
188.3619 450.2840
188.8440 454.2047
189.3261 458.6259
189.8082 463.2663
190.2903 468.4115
190.7725 475.0289
191.2546 483.3497
191.7367 492.6705
192.2188 502.4496
192.7009 512.8430
193.1830 523.8105
193.6652 535.0441
194.1473 546.9063
194.6294 560.4946
195.1115 575.8048
195.5936 592.3958
196.0757 609.9152
196.5579 628.3942
197.0400 647.2050
197.5221 665.7462
198.0042 683.9945
198.4863 704.0103
198.9684 725.9864
199.4506 749.1544
199.9327 772.0120
200.4148 794.5871
200.8969 817.2952
201.3790 840.4232
201.8611 863.8638
202.3433 888.3550
202.8254 913.9218
203.3075 940.5019
203.7896 967.7965
204.2717 996.1036
204.7538 1024.317
205.2360 1052.401
205.7181 1080.568
206.2002 1106.039
206.6823 1127.689
207.1644 1147.969
207.6465 1171.988
208.1287 1200.553
208.6108 1229.110
209.0929 1256.167
209.5750 1282.205
210.0571 1304.702
210.5392 1323.364
211.0214 1339.091
211.5035 1353.833
211.9856 1367.787
212.4677 1379.957
212.9498 1390.234
213.4319 1398.804
213.9140 1404.489
214.3962 1407.319
214.8783 1407.176
215.3604 1403.948
215.8425 1397.890
216.3246 1387.954
216.8067 1373.409
217.2889 1353.981
217.7710 1330.985
218.2531 1303.694
218.7352 1273.188
219.2173 1241.362
219.6994 1207.958
220.1816 1173.062
220.6637 1136.328
221.1458 1097.305
221.6279 1057.865
222.1100 1017.704
222.5921 977.1955
223.0743 936.0256
223.5564 894.2779
224.0385 852.2239
224.5206 810.6281
225.0027 768.3176
225.4848 728.2542
225.9670 690.9901
226.4491 656.1961
226.9312 622.4410
227.4133 590.1162
227.8954 558.4766
228.3775 527.6467
228.8597 496.3932
229.3418 467.7770
229.8239 442.4486
230.3060 419.4745
230.7881 397.1573
231.2702 375.5714
231.7524 354.0265
232.2345 332.1649
232.7166 308.3314
233.1987 287.3163
233.6808 269.8750
234.1629 255.1339
234.6451 240.5620
235.1272 226.2371
235.6093 212.1565
236.0914 198.2011
236.5735 183.7921
237.0556 170.9760
237.5378 160.3391
238.0199 151.1544
238.5020 141.5536
238.9841 130.9653
239.4662 120.6948
239.9483 111.2658
240.4305 102.9991
240.9126 94.94073
241.3947 86.76080
241.8768 78.87000
242.3589 72.38049
242.8410 67.90973
243.3232 63.86163
243.8053 59.63379
244.2874 55.18341
244.7695 50.58392
245.2516 45.66174
245.7337 40.63586
246.2159 36.00189
246.6980 31.86414
247.1801 27.96173
247.6622 24.15997
248.1443 20.37531
248.6264 16.94489
249.1086 13.93268
249.5907 11.23682
250.0728 8.596802
250.5549 5.768250
251.0370 3.407166
251.5191 1.897461
252.0013 1.651550
252.4834 0.8386230
252.9655 0.7224120
253.4476 2.760193
253.9297 4.883545
254.4118 7.450745
254.8940 9.437439
255.3761 10.38055
255.8582 10.00531
256.3403 9.704407
256.8224 9.636292
257.3046 9.513611
257.7867 8.798035
258.2688 7.114807
258.7509 5.579407
259.2330 4.673462
259.7151 4.558899
260.1973 3.946594
260.6794 2.712402
261.1615 1.109741
261.6436 0.3843990
262.1257 1.587036
262.6078 3.204895
263.0900 5.730103
263.5721 9.418579
264.0542 11.56006
264.5363 11.52789
265.0184 10.71118
265.5005 11.22803
265.9827 13.94598
266.4648 15.35620
266.9469 13.98486
267.4290 9.747070
267.9111 6.972656
268.3932 6.367981
268.8754 6.147522
269.3575 4.187134
269.8396 4.2479999E-02
270.3217 4.285461
270.8038 8.455627
271.2859 12.47192
271.7681 15.86597
272.2502 18.64526
272.7323 20.78442
273.2144 22.19135
273.6965 22.85004
274.1786 22.91888
274.6608 22.43250
275.1429 21.38257
275.6250 19.88672
276.1071 18.20789
276.5892 15.34467
277.0714 10.10095
277.5535 2.198242
278.0356 5.673401
278.5177 12.73761
278.9998 19.47150
279.4819 27.90295
279.9641 38.31073
280.4462 49.64270
280.9283 61.18091
281.4104 72.81940
281.8925 85.00781
282.3746 97.80780
282.8568 111.2044
283.3389 124.9630
283.8210 138.9882
284.3031 154.0848
284.7852 171.4606
285.2673 190.8047
285.7495 209.1579
286.2316 225.6275
286.7137 241.6411
287.1958 260.3645
287.6779 281.8457
288.1600 304.1443
288.6422 326.1183
289.1243 348.0311
289.6064 370.1427
290.0885 392.7313
290.5706 415.6032
291.0527 438.5055
291.5349 461.4409
292.0170 484.4827
292.4991 508.2801
292.9812 532.3272
293.4633 553.8450
293.9454 572.7407
294.4276 589.6188
294.9097 604.7010
295.3918 618.1752
295.8739 630.6866
296.3560 642.6128
296.8381 653.7439
297.3203 663.7165
297.8024 672.6157
298.2845 679.1606
298.7666 681.6609
299.2487 680.5781
299.7308 677.4056
300.2130 672.0912
300.6951 665.2848
301.1772 657.9628
301.6593 650.1711
302.1414 641.7305
302.6235 631.6953
303.1057 620.9958
303.5878 611.8109
304.0699 605.6780
304.5520 600.6468
305.0341 594.0782
305.5162 586.2385
305.9984 579.0753
306.4805 573.9690
306.9626 570.4606
307.4447 568.0302
307.9268 566.4775
308.4089 565.9259
308.8911 566.6083
309.3732 568.4086
309.8553 570.8907
310.3374 573.3333
310.8195 576.4874
311.3016 581.1099
311.7838 587.4479
312.2659 595.0175
312.7480 604.0021
313.2301 614.0330
313.7122 624.2885
314.1943 633.9646
314.6765 644.0878
315.1586 655.3127
315.6407 667.6197
316.1228 681.4921
316.6049 697.2698
317.0870 714.6798
317.5692 733.0299
318.0513 753.6589
318.5334 774.0949
319.0155 792.4598
319.4976 808.2603
319.9797 825.4751
320.4619 846.2723
320.9440 868.9061
321.4261 891.1570
321.9082 913.6957
322.3903 934.7984
322.8724 953.7311
323.3546 970.4571
323.8367 986.3212
324.3188 1002.338
324.8009 1017.275
325.2830 1030.035
325.7651 1040.338
326.2473 1048.865
326.7294 1056.257
327.2115 1062.305
327.6936 1065.117
328.1757 1064.514
328.6578 1060.483
329.1400 1052.973
329.6221 1041.024
330.1042 1027.114
330.5863 1011.133
331.0684 993.1427
331.5505 973.6200
332.0327 951.7970
332.5148 929.1927
332.9969 906.2221
333.4790 883.5449
333.9611 859.8827
334.4432 834.5070
334.9254 808.6151
335.4075 784.5479
335.8896 762.2050
336.3717 740.7350
336.8538 720.1588
337.3359 700.3022
337.8180 681.3083
338.3001 663.3558
338.7823 646.0641
339.2644 629.1783
339.7465 612.3913
340.2286 596.9553
340.7107 583.6887
341.1928 572.0649
341.6750 559.7553
342.1571 546.2642
342.6392 533.2045
343.1213 521.9003
343.6034 512.4837
344.0855 503.0507
344.5677 493.2336
345.0498 483.4931
345.5319 475.2664
346.0140 468.5493
346.4961 462.7285
346.9782 458.0673
347.4604 454.1422
347.9425 448.6287
348.4246 440.5387
348.9067 432.8813
349.3888 430.1997
349.8709 432.0145
350.3531 435.4639
350.8352 439.8707
351.3173 444.6614
351.7994 448.4166
352.2815 450.9656
352.7636 454.0618
353.2458 459.2231
353.7279 466.1572
354.2100 474.2769
354.6921 483.6375
355.1742 493.8934
355.6563 504.8792
356.1385 516.5060
356.6206 528.4857
357.1027 540.2025
357.5848 552.2177
358.0669 565.4344
358.5490 580.5861
359.0312 596.3114
359.5133 612.3539
359.9954 628.4258
360.4775 643.8182
360.9596 658.9472
361.4417 672.6677
361.9239 684.0876
362.4060 692.4142
362.8881 700.5722
363.3702 711.1249
363.8523 721.8593
364.3344 729.4434
364.8166 732.2642
365.2987 732.3997
365.7808 730.8630
366.2629 727.9039
366.7450 721.7049
367.2271 711.2731
367.7093 697.8671
368.1914 682.5878
368.6735 665.4262
369.1556 646.3290
369.6377 625.2787
370.1198 602.3102
370.6020 578.7306
371.0841 552.6068
371.5662 527.5268
372.0483 505.9073
372.5304 490.1671
373.0125 472.8394
373.4947 452.7090
373.9768 431.4601
374.4589 412.7693
374.9410 397.0494
375.4231 382.9708
375.9052 370.1995
376.3874 358.8829
376.8695 347.2745
377.3516 334.9127
377.8337 322.7969
378.3158 311.7883
378.7979 301.9074
379.2801 292.6671
379.7622 283.8011
380.2443 275.4505
380.7264 268.0119
381.2085 261.6579
381.6906 255.2769
382.1728 247.9824
382.6549 239.7793
383.1370 231.1540
383.6191 221.8421
384.1012 212.5722
384.5833 204.6821
385.0655 197.9618
385.5476 190.9533
386.0297 182.3098
386.5118 172.8071
386.9939 163.6071
387.4760 154.8874
387.9582 146.3514
388.4403 137.2084
388.9224 127.9364
389.4045 119.6026
389.8866 113.4643
390.3687 107.7569
390.8509 100.9063
391.3330 93.04956
391.8151 85.37274
392.2972 78.55182
392.7793 72.35651
393.2614 66.54440
393.7436 61.21225
394.2257 56.17014
394.7078 51.63504
395.1899 47.41443
395.6720 43.00101
396.1541 37.83627
396.6363 32.76630
397.1184 28.17535
397.6005 24.13971
398.0826 20.48083
398.5647 17.37308
399.0468 14.56143
399.5290 11.73642
400.0111 8.681641
400.4932 5.825043
400.9753 3.232941
401.4574 0.8869020
401.9395 1.228119
402.4217 3.202515
402.9038 4.897247
403.3859 6.197662
403.8680 6.986023
404.3501 7.682922
404.8322 8.310730
405.3144 8.860931
405.7965 9.164063
406.2786 9.100037
406.7607 9.228699
407.2428 9.968170
407.7249 11.36389
408.2071 12.14542
408.6892 12.24023
409.1713 11.98825
409.6534 11.80496
410.1355 11.67468
410.6176 11.39108
411.0998 10.81558
411.5819 10.10745
412.0640 9.743774
412.5461 9.698090
413.0282 9.552185
413.5103 9.039429
413.9925 8.173889
414.4746 6.882843
414.9567 4.997314
415.4388 3.151825
415.9209 2.072601
416.4030 1.553253
416.8852 1.092163
417.3673 0.7119450
417.8494 9.2499003E-02
418.3315 1.333862
418.8136 3.612366
419.2957 5.362183
419.7779 5.302734
420.2600 4.540314
420.7421 4.206787
421.2242 4.973114
421.7063 5.844482
422.1884 6.494446
422.6706 6.986084
423.1527 7.528625
423.6348 8.144196
424.1169 8.856903
424.5990 9.641693
425.0811 10.37314
425.5633 11.49371
426.0454 13.54465
426.5275 15.77115
427.0096 17.17969
427.4917 17.09863
427.9738 17.22284
428.4560 17.98849
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