#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:16:25 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1048 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000499.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_1000499
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 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            R050547.rod
_rod_data_source.block           3500000
_rod_database.code               1000499
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
125.1564 0.0000000E+00
125.6385 13.01935
126.1206 13.98096
126.6027 3.190002
127.0848 4.002319
127.5669 5.134094
128.0491 1.506836
128.5312 7.452393
129.0133 23.05646
129.4954 44.57208
129.9775 71.24286
130.4596 104.0829
130.9418 141.4999
131.4239 179.8065
131.9060 218.3846
132.3881 257.2704
132.8702 295.2535
133.3523 332.3522
133.8345 370.3190
134.3166 410.8483
134.7987 454.3171
135.2808 498.0153
135.7629 542.4109
136.2450 587.3142
136.7272 630.2681
137.2093 671.2084
137.6914 711.1610
138.1735 751.2824
138.6556 791.3634
139.1377 831.2292
139.6199 871.5056
140.1020 911.7782
140.5841 950.4169
141.0662 985.4766
141.5483 1020.759
142.0304 1061.155
142.5126 1107.373
142.9947 1155.291
143.4768 1195.762
143.9589 1223.052
144.4410 1253.331
144.9231 1287.115
145.4053 1323.585
145.8874 1362.672
146.3695 1406.206
146.8516 1449.537
147.3337 1490.213
147.8158 1527.799
148.2980 1566.051
148.7801 1605.761
149.2622 1646.234
149.7443 1684.939
150.2264 1723.173
150.7085 1759.366
151.1907 1792.739
151.6728 1825.458
152.1549 1853.395
152.6370 1876.033
153.1191 1894.049
153.6012 1908.344
154.0834 1920.205
154.5655 1927.284
155.0476 1928.765
155.5297 1924.078
156.0118 1914.350
156.4939 1897.197
156.9761 1874.491
157.4582 1852.976
157.9403 1835.794
158.4224 1819.126
158.9045 1800.709
159.3866 1780.568
159.8688 1758.443
160.3509 1733.052
160.8330 1705.232
161.3151 1678.849
161.7972 1657.707
162.2793 1637.307
162.7615 1614.200
163.2436 1585.151
163.7257 1555.419
164.2078 1527.035
164.6899 1499.776
165.1720 1472.201
165.6541 1443.501
166.1363 1414.132
166.6184 1384.542
167.1005 1355.928
167.5826 1326.297
168.0647 1293.664
168.5468 1258.200
169.0290 1222.254
169.5111 1187.452
169.9932 1152.996
170.4753 1117.684
170.9574 1080.188
171.4395 1042.659
171.9217 1006.399
172.4038 971.4248
172.8859 937.7236
173.3680 906.0193
173.8501 875.6595
174.3322 844.8976
174.8144 811.5698
175.2965 777.9067
175.7786 747.8005
176.2607 721.7885
176.7428 698.0421
177.2249 675.0415
177.7071 653.0526
178.1892 632.2418
178.6713 613.0886
179.1534 594.9315
179.6355 576.4718
180.1176 557.4403
180.5998 539.4818
181.0819 524.5410
181.5640 512.4207
182.0461 501.3549
182.5282 489.1967
183.0103 472.5751
183.4925 456.6760
183.9746 441.5321
184.4567 427.4674
184.9388 415.7798
185.4209 406.0771
185.9030 395.9320
186.3852 382.8810
186.8673 368.1177
187.3494 355.7310
187.8315 346.2510
188.3136 338.1411
188.7957 329.0751
189.2779 319.2273
189.7600 309.6067
190.2421 300.1907
190.7242 291.1210
191.2063 283.8073
191.6884 278.7157
192.1706 274.7382
192.6527 270.0559
193.1348 264.6619
193.6169 259.0625
194.0990 253.2720
194.5811 247.2562
195.0633 241.3573
195.5454 235.7424
196.0275 230.3965
196.5096 225.4685
196.9917 220.9646
197.4738 216.5948
197.9560 212.2297
198.4381 207.8922
198.9202 203.5311
199.4023 198.9646
199.8844 194.7246
200.3665 192.2821
200.8487 191.9976
201.3308 191.4711
201.8129 189.5861
202.2950 186.3237
202.7771 181.9069
203.2592 175.7805
203.7414 169.0714
204.2235 164.1411
204.7056 161.1812
205.1877 159.2830
205.6698 158.2487
206.1519 158.2444
206.6341 157.9481
207.1162 157.4484
207.5983 156.4729
208.0804 154.1599
208.5625 150.0831
209.0446 145.9866
209.5268 142.7933
210.0089 140.7335
210.4910 138.6154
210.9731 136.7018
211.4552 134.5304
211.9373 130.8632
212.4195 125.3026
212.9016 119.3541
213.3837 113.4818
213.8658 107.3077
214.3479 102.7535
214.8300 100.4340
215.3121 99.39417
215.7943 97.36584
216.2764 94.24597
216.7585 90.32056
217.2406 85.26929
217.7227 78.15149
218.2048 73.20789
218.6870 71.62598
219.1691 71.62146
219.6512 68.74854
220.1333 61.45239
220.6154 54.10999
221.0975 48.58838
221.5797 45.63257
222.0618 42.50073
222.5439 39.32788
223.0260 35.95105
223.5081 31.82117
223.9902 26.47754
224.4724 21.28809
224.9545 17.02295
225.4366 14.19397
225.9187 10.71313
226.4008 6.123413
226.8829 1.100708
227.3651 2.920288
227.8472 5.617065
228.3293 7.903442
228.8114 10.11475
229.2935 12.26953
229.7757 14.32520
230.2578 16.23499
230.7399 18.09656
231.2220 20.17188
231.7041 22.88171
232.1862 25.17529
232.6684 26.58423
233.1505 26.74792
233.6326 27.28259
234.1147 28.49341
234.5968 29.93079
235.0789 30.76575
235.5611 30.79053
236.0432 30.53857
236.5253 29.88318
237.0074 28.27966
237.4895 28.51807
237.9716 31.79114
238.4538 36.16431
238.9359 38.42212
239.4180 37.41589
239.9001 36.15833
240.3822 35.60925
240.8643 36.04016
241.3465 35.84009
241.8286 34.57483
242.3107 32.99109
242.7928 32.22229
243.2749 32.85876
243.7570 33.31787
244.2392 33.12952
244.7213 32.16711
245.2034 31.26855
245.6855 30.36316
246.1676 29.54578
246.6497 29.10278
247.1319 29.88025
247.6140 29.41052
248.0961 26.65906
248.5782 21.22266
249.0603 16.95410
249.5424 14.14221
250.0246 12.12646
250.5067 10.25073
250.9888 8.925293
251.4709 6.890503
251.9530 3.664063
252.4351 0.8696290
252.9173 4.874512
253.3994 8.161011
253.8815 11.18823
254.3636 14.43799
254.8457 18.00574
255.3278 21.35693
255.8100 24.26917
256.2921 26.76904
256.7742 29.60876
257.2563 33.00537
257.7384 36.43420
258.2205 39.30481
258.7026 41.31750
259.1848 43.69031
259.6669 46.76221
260.1490 50.45740
260.6311 53.68689
261.1132 56.56689
261.5953 58.85034
262.0775 60.01538
262.5596 59.34705
263.0417 59.88440
263.5238 62.54260
264.0059 66.67163
264.4880 69.19458
264.9702 69.39270
265.4523 69.26404
265.9344 70.12964
266.4165 72.34851
266.8986 74.22290
267.3807 75.44592
267.8629 76.31860
268.3450 77.91589
268.8271 80.50525
269.3092 83.29749
269.7913 85.90808
270.2734 88.20789
270.7556 90.72583
271.2377 92.85266
271.7198 95.85388
272.2019 103.2919
272.6840 116.3369
273.1661 129.9308
273.6483 141.4349
274.1304 150.4062
274.6125 160.5000
275.0946 171.6005
275.5767 183.8954
276.0588 197.8781
276.5410 213.6047
277.0231 230.2655
277.5052 247.1113
277.9873 264.1663
278.4694 282.2258
278.9515 301.3940
279.4337 321.2028
279.9158 340.8893
280.3979 360.2617
280.8800 380.5304
281.3621 402.0342
281.8442 424.6931
282.3264 446.7935
282.8085 468.2676
283.2906 489.5312
283.7727 510.5099
284.2548 531.1141
284.7369 553.2432
285.2191 578.0537
285.7012 604.8165
286.1833 631.4453
286.6654 657.9771
287.1475 684.3645
287.6296 709.8894
288.1118 734.7914
288.5939 760.5173
289.0760 788.2766
289.5581 816.2823
290.0402 840.8042
290.5223 861.9192
291.0045 881.3113
291.4866 900.2552
291.9687 918.6616
292.4508 936.4988
292.9329 954.3588
293.4150 970.9729
293.8972 984.3459
294.3793 994.7235
294.8614 1004.574
295.3435 1015.018
295.8256 1025.833
296.3077 1036.679
296.7899 1047.504
297.2720 1058.806
297.7541 1071.300
298.2362 1084.550
298.7183 1097.032
299.2004 1106.059
299.6826 1114.165
300.1647 1126.443
300.6468 1143.338
301.1289 1162.718
301.6110 1183.185
302.0931 1204.580
302.5753 1227.196
303.0574 1250.543
303.5395 1275.218
304.0216 1300.993
304.5037 1328.055
304.9858 1357.855
305.4680 1392.273
305.9501 1430.525
306.4322 1471.008
306.9143 1512.900
307.3964 1557.075
307.8785 1605.106
308.3607 1656.767
308.8428 1711.473
309.3249 1769.325
309.8070 1829.975
310.2891 1892.664
310.7712 1957.511
311.2534 2024.540
311.7355 2093.880
312.2176 2165.885
312.6997 2239.815
313.1818 2313.418
313.6639 2388.740
314.1461 2468.518
314.6282 2554.324
315.1103 2640.979
315.5924 2725.716
316.0745 2809.059
316.5566 2893.587
317.0388 2978.740
317.5209 3065.589
318.0030 3156.870
318.4851 3254.750
318.9672 3349.285
319.4493 3436.294
319.9315 3517.906
320.4136 3598.103
320.8957 3677.715
321.3778 3755.474
321.8599 3832.090
322.3420 3907.777
322.8242 3979.706
323.3063 4048.463
323.7884 4112.638
324.2705 4171.016
324.7526 4223.325
325.2347 4270.299
325.7169 4311.276
326.1990 4346.658
326.6811 4376.059
327.1632 4399.870
327.6453 4417.412
328.1274 4428.265
328.6096 4430.021
329.0917 4428.095
329.5738 4422.671
330.0559 4413.722
330.5380 4401.190
331.0201 4388.384
331.5023 4368.399
331.9844 4337.267
332.4665 4289.757
332.9486 4244.777
333.4307 4205.469
333.9128 4167.228
334.3950 4123.184
334.8771 4071.753
335.3592 4016.735
335.8413 3959.961
336.3234 3901.400
336.8055 3838.376
337.2877 3770.824
337.7698 3699.786
338.2519 3624.883
338.7340 3545.998
339.2161 3466.323
339.6982 3387.813
340.1803 3309.270
340.6624 3228.222
341.1446 3143.603
341.6267 3056.955
342.1088 2966.062
342.5909 2871.513
343.0730 2778.462
343.5551 2688.739
344.0373 2600.768
344.5194 2513.641
345.0015 2426.508
345.4836 2340.016
345.9657 2253.065
346.4478 2166.406
346.9300 2085.468
347.4121 2010.485
347.8942 1939.210
348.3763 1866.219
348.8584 1792.688
349.3405 1723.196
349.8227 1661.503
350.3048 1604.828
350.7869 1546.562
351.2690 1486.758
351.7511 1429.116
352.2332 1377.413
352.7154 1331.366
353.1975 1290.268
353.6796 1254.905
354.1617 1222.942
354.6438 1191.702
355.1259 1161.272
355.6081 1133.147
356.0902 1108.400
356.5723 1086.483
357.0544 1066.431
357.5365 1048.336
358.0186 1031.796
358.5008 1017.359
358.9829 1004.003
359.4650 989.9932
359.9471 973.2615
360.4292 956.9954
360.9113 943.0980
361.3935 931.9307
361.8756 921.8340
362.3577 914.1631
362.8398 906.8716
363.3219 897.5310
363.8040 883.1572
364.2862 868.9807
364.7683 856.0974
365.2504 844.5762
365.7325 835.5103
366.2146 831.5217
366.6967 828.3983
367.1789 823.5211
367.6610 815.2354
368.1431 806.8149
368.6252 797.8743
369.1073 788.7899
369.5894 780.9595
370.0716 775.4004
370.5537 769.9404
371.0358 763.5219
371.5179 755.2504
372.0000 748.7185
372.4821 744.6371
372.9643 741.8610
373.4464 739.2465
373.9285 738.0188
374.4106 734.3151
374.8927 726.6772
375.3748 715.1744
375.8570 703.6830
376.3391 691.6821
376.8212 680.4677
377.3033 671.5634
377.7854 665.5822
378.2675 657.6888
378.7497 646.7795
379.2318 633.9349
379.7139 621.6937
380.1960 610.3450
380.6781 597.9216
381.1602 583.1044
381.6424 566.2300
382.1245 549.2526
382.6066 532.0079
383.0887 515.1210
383.5708 499.2080
384.0529 484.2490
384.5351 469.1897
385.0172 454.0958
385.4993 438.7067
385.9814 421.8782
386.4635 403.7913
386.9456 384.6980
387.4278 363.9709
387.9099 342.8651
388.3920 323.0956
388.8741 305.3741
389.3562 288.9015
389.8383 273.2070
390.3205 257.9475
390.8026 242.7157
391.2847 226.8843
391.7668 211.2875
392.2489 196.5287
392.7310 182.9753
393.2132 169.1801
393.6953 153.8127
394.1774 138.2325
394.6595 123.9391
395.1416 112.2012
395.6237 101.2667
396.1059 90.86365
396.5880 80.92810
397.0701 70.61133
397.5522 58.44470
398.0343 46.87598
398.5164 37.40491
398.9986 31.90979
399.4807 26.27881
399.9628 21.12219
400.4449 15.70532
400.9270 8.042969
401.4091 4.630981
401.8913 15.79456
402.3734 23.22534
402.8555 26.42004
403.3376 28.61462
403.8197 29.30750
404.3018 29.60718
404.7840 30.68201
405.2661 32.67346
405.7482 35.14294
406.2303 38.39319
406.7124 42.01880
407.1945 44.65027
407.6767 46.33972
408.1588 46.87610
408.6409 45.41321
409.1230 42.15979
409.6051 40.60474
410.0872 41.42883
410.5694 42.86536
411.0515 42.46436
411.5336 40.33398
412.0157 37.01599
412.4978 31.36780
412.9799 25.06946
413.4621 21.83630
413.9442 21.60156
414.4263 22.06189
414.9084 22.43079
415.3905 22.00891
415.8727 19.47070
416.3548 13.34204
416.8369 6.865356
417.3190 3.486206
417.8011 2.023926
418.2832 0.6625980
418.7654 6.955444
419.2475 14.44153
419.7296 21.27600
420.2117 27.06006
420.6938 33.65405
421.1759 43.42383
421.6581 53.69019
422.1402 61.69299
422.6223 63.61890
423.1044 66.46399
423.5865 72.11914
424.0686 80.31140
424.5508 88.87769
425.0329 98.60681
425.5150 107.8435
425.9971 115.5905
426.4792 119.8292
426.9613 126.9308
427.4435 138.8551
427.9256 152.5530
428.4077 162.8867
428.8898 168.1855
429.3719 174.0125
429.8540 181.7954
430.3362 191.4313
430.8183 202.3140
431.3004 214.9671
431.7825 227.2356
432.2646 236.3914
432.7467 242.3861
433.2289 251.3419
433.7110 264.5876
434.1931 280.0388
434.6752 294.5298
435.1573 308.0013
435.6394 319.8704
436.1216 328.1928
436.6036 334.9983
437.0858 345.0378
437.5679 358.4772
438.0500 372.7822
438.5321 386.3239
439.0142 399.1061
439.4963 411.0934
439.9785 422.0320
440.4606 432.5668
440.9427 443.1964
441.4248 453.8259
441.9069 464.0500
442.3890 473.4118
442.8712 482.5273
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