#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:59 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1116 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000546.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_1000546
loop_
_publ_author_name
'Shannon, R. D.'
'Calvo, C.'
_publ_section_title
;
 Refinement of the crystal structure of synthetic chervetite, Pb2V2O7
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              70
_journal_page_last               76
_journal_paper_doi               10.1139/v73-010
_journal_volume                  51
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O7 Pb2 V2'
_chemical_name_mineral           Chervetite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.935
_cell_angle_gamma                90
_cell_length_a                   13.3689
_cell_length_b                   7.1607
_cell_length_c                   7.1027
_cell_volume                     653.819
_exptl_crystal_density_diffrn    6.383
_cod_original_formula_sum        'Pb2 V2 O7'
_cod_database_code               9014475
_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            R080096.rod
_rod_data_source.block           3500000
_rod_database.code               1000546
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 9014475 COD http://www.crystallography.net/cod/9014475.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
152.3059 0.0000000E+00
152.7880 4.249512
153.2701 8.364868
153.7522 11.71008
154.2344 16.25391
154.7165 16.78125
155.1986 17.66345
155.6807 20.86304
156.1628 17.20081
156.6449 13.13855
157.1271 9.012695
157.6092 4.536499
158.0913 1.402588
158.5734 5.664307
159.0555 6.599731
159.5376 5.086304
160.0198 3.554688
160.5019 3.741821
160.9840 4.662598
161.4661 2.958252
161.9482 2.231934
162.4303 8.933228
162.9125 15.93567
163.3946 23.23926
163.8767 31.21338
164.3588 40.66992
164.8409 50.66565
165.3230 59.62964
165.8052 66.39648
166.2873 72.77307
166.7694 80.85217
167.2515 90.81482
167.7336 102.0236
168.2157 115.0634
168.6979 128.8888
169.1800 142.3823
169.6621 154.9548
170.1442 166.9777
170.6263 179.1814
171.1084 189.5901
171.5906 203.7716
172.0727 225.0917
172.5548 250.3958
173.0369 275.2092
173.5190 296.5018
174.0011 314.9500
174.4833 336.2948
174.9654 362.9348
175.4475 390.5565
175.9296 417.9130
176.4117 445.5254
176.8938 475.1466
177.3760 508.5082
177.8581 545.8237
178.3402 578.2363
178.8223 606.0751
179.3044 629.4238
179.7865 647.4136
180.2687 660.6243
180.7508 670.5300
181.2329 678.4191
181.7150 684.2444
182.1971 685.0400
182.6792 681.5516
183.1614 673.4307
183.6435 660.3132
184.1256 642.2490
184.6077 619.3162
185.0898 590.1272
185.5719 554.2704
186.0541 522.3630
186.5362 495.8673
187.0183 472.7227
187.5004 451.3909
187.9825 431.6755
188.4646 413.7587
188.9468 398.0660
189.4289 384.4233
189.9110 372.1490
190.3931 359.6638
190.8752 348.9351
191.3573 343.6499
191.8395 345.3925
192.3216 348.9016
192.8037 350.0930
193.2858 349.8538
193.7679 350.1990
194.2500 351.8712
194.7322 354.7772
195.2143 358.9751
195.6964 365.7003
196.1785 371.7565
196.6606 376.6218
197.1427 379.7682
197.6249 379.8342
198.1070 374.4783
198.5891 364.4492
199.0712 357.4261
199.5533 355.0715
200.0354 354.2384
200.5176 353.3088
200.9997 352.8308
201.4818 354.2562
201.9639 359.1390
202.4460 367.5813
202.9281 375.1160
203.4103 376.9056
203.8924 382.2595
204.3745 395.3975
204.8566 414.8541
205.3387 436.2849
205.8208 455.9475
206.3030 473.6138
206.7851 492.4098
207.2672 511.7942
207.7493 532.6664
208.2314 555.0709
208.7135 579.1530
209.1957 605.2659
209.6778 633.8846
210.1599 664.2568
210.6420 694.7834
211.1241 723.3013
211.6062 753.6133
212.0884 787.0664
212.5705 823.8983
213.0526 864.8057
213.5347 911.4005
214.0168 964.6200
214.4989 1014.300
214.9811 1053.500
215.4632 1094.886
215.9453 1149.805
216.4274 1217.897
216.9095 1285.638
217.3916 1340.134
217.8737 1381.285
218.3559 1428.489
218.8380 1487.533
219.3201 1549.686
219.8022 1607.674
220.2843 1660.937
220.7664 1713.146
221.2486 1768.558
221.7307 1825.792
222.2128 1876.890
222.6949 1918.888
223.1770 1955.817
223.6591 1992.361
224.1413 2029.345
224.6234 2061.011
225.1055 2081.463
225.5876 2093.255
226.0697 2099.557
226.5518 2098.976
227.0340 2094.492
227.5161 2089.727
227.9982 2084.149
228.4803 2079.765
228.9624 2075.684
229.4445 2073.780
229.9267 2077.145
230.4088 2087.042
230.8909 2102.524
231.3730 2123.364
231.8551 2152.580
232.3372 2180.068
232.8194 2202.074
233.3015 2219.734
233.7836 2234.204
234.2657 2245.821
234.7478 2255.449
235.2299 2265.242
235.7121 2277.770
236.1942 2284.225
236.6763 2283.572
237.1584 2276.177
237.6405 2261.903
238.1227 2240.052
238.6048 2212.563
239.0869 2184.317
239.5690 2155.205
240.0511 2125.173
240.5332 2093.802
241.0154 2061.886
241.4975 2029.489
241.9796 1996.550
242.4617 1965.306
242.9438 1941.673
243.4259 1926.588
243.9081 1918.908
244.3902 1919.044
244.8723 1925.231
245.3544 1935.944
245.8365 1950.612
246.3186 1969.382
246.8008 1992.828
247.2829 2021.969
247.7650 2055.090
248.2471 2092.197
248.7292 2132.758
249.2113 2176.896
249.6935 2224.505
250.1756 2274.375
250.6577 2324.195
251.1398 2371.753
251.6219 2422.379
252.1040 2478.192
252.5862 2535.396
253.0683 2591.811
253.5504 2646.269
254.0325 2697.432
254.5146 2743.025
254.9967 2781.431
255.4789 2815.510
255.9610 2850.821
256.4431 2878.728
256.9252 2893.144
257.4073 2892.325
257.8894 2876.075
258.3716 2844.117
258.8537 2793.664
259.3358 2728.603
259.8179 2643.655
260.3000 2547.122
260.7821 2446.393
261.2643 2342.426
261.7464 2231.035
262.2285 2105.470
262.7106 1960.695
263.1927 1821.369
263.6748 1687.914
264.1570 1560.310
264.6391 1439.472
265.1212 1325.393
265.6033 1217.271
266.0854 1115.652
266.5675 1021.487
267.0497 932.8865
267.5318 851.1245
268.0139 774.4541
268.4960 699.8950
268.9781 627.8376
269.4602 564.5359
269.9424 518.0326
270.4245 486.1200
270.9066 447.6532
271.3887 393.7782
271.8708 339.4402
272.3529 296.0836
272.8351 263.2875
273.3172 235.2537
273.7993 209.6525
274.2814 186.1362
274.7635 162.6454
275.2456 137.7781
275.7278 114.6150
276.2099 95.82202
276.6920 81.05273
277.1741 67.42981
277.6562 53.55408
278.1383 40.28137
278.6205 29.25623
279.1026 21.14893
279.5847 13.55823
280.0668 4.643677
280.5489 5.338623
281.0310 14.64124
281.5132 22.84485
281.9953 29.78906
282.4774 35.34680
282.9595 39.35718
283.4416 43.01575
283.9237 47.26343
284.4059 51.81873
284.8880 55.58948
285.3701 58.41882
285.8522 60.09900
286.3343 60.64172
286.8164 60.09180
287.2986 58.50171
287.7807 55.06128
288.2628 50.48608
288.7449 47.49866
289.2270 47.56567
289.7091 47.21130
290.1913 42.77625
290.6734 35.34839
291.1555 28.72791
291.6376 25.89514
292.1197 25.03784
292.6018 21.87268
293.0840 16.01575
293.5661 8.232178
294.0482 0.9681400
294.5303 11.55603
295.0124 23.95435
295.4945 38.73804
295.9767 55.12976
296.4588 71.40222
296.9409 86.99329
297.4230 104.4694
297.9051 124.0547
298.3872 146.7875
298.8694 174.7573
299.3515 209.1788
299.8336 248.0289
300.3157 287.9065
300.7978 328.1876
301.2799 374.7528
301.7621 430.9081
302.2442 494.6028
302.7263 566.1819
303.2084 646.6683
303.6905 730.0281
304.1726 812.8486
304.6548 895.1974
305.1369 970.8949
305.6190 1037.048
306.1011 1096.829
306.5832 1151.934
307.0653 1202.586
307.5475 1250.239
308.0296 1292.027
308.5117 1329.093
308.9938 1376.971
309.4759 1440.490
309.9580 1512.906
310.4402 1588.568
310.9223 1667.674
311.4044 1751.749
311.8865 1841.468
312.3686 1936.451
312.8507 2036.904
313.3329 2143.763
313.8150 2254.885
314.2971 2370.530
314.7792 2489.615
315.2613 2610.528
315.7434 2730.672
316.2256 2854.070
316.7077 2989.453
317.1898 3139.143
317.6719 3298.222
318.1540 3460.926
318.6361 3633.073
319.1183 3824.396
319.6004 4041.998
320.0825 4270.495
320.5646 4499.662
321.0467 4735.479
321.5288 4934.526
322.0110 5103.959
322.4931 5213.103
322.9752 5235.993
323.4573 5168.324
323.9394 5016.145
324.4215 4766.989
324.9037 4423.942
325.3858 4052.735
325.8679 3631.444
326.3500 3219.925
326.8321 2850.005
327.3142 2522.704
327.7964 2239.925
328.2785 2006.466
328.7606 1819.929
329.2427 1667.640
329.7248 1554.479
330.2069 1469.272
330.6891 1407.528
331.1712 1365.023
331.6533 1334.090
332.1354 1315.739
332.6175 1304.547
333.0996 1289.708
333.5818 1270.398
334.0639 1249.806
334.5460 1226.466
335.0281 1203.833
335.5102 1185.875
335.9923 1173.075
336.4745 1166.172
336.9566 1165.273
337.4387 1170.238
337.9208 1183.523
338.4029 1207.346
338.8850 1238.889
339.3671 1275.217
339.8492 1316.419
340.3314 1361.630
340.8135 1410.411
341.2956 1463.064
341.7777 1518.354
342.2598 1574.780
342.7419 1636.213
343.2241 1704.300
343.7062 1779.219
344.1883 1861.590
344.6704 1952.335
345.1525 2050.799
345.6346 2155.035
346.1168 2263.992
346.5989 2381.400
347.0810 2515.499
347.5631 2658.816
348.0452 2801.015
348.5273 2944.345
349.0095 3081.233
349.4916 3209.633
349.9737 3329.436
350.4558 3418.810
350.9379 3463.188
351.4200 3470.014
351.9022 3455.215
352.3843 3415.785
352.8664 3363.903
353.3485 3298.946
353.8306 3226.266
354.3127 3166.374
354.7949 3123.456
355.2770 3097.885
355.7591 3092.244
356.2412 3105.555
356.7233 3124.728
357.2054 3146.839
357.6876 3171.267
358.1697 3199.770
358.6518 3233.940
359.1339 3262.401
359.6160 3272.112
360.0981 3266.299
360.5803 3262.250
361.0624 3261.328
361.5445 3263.196
362.0266 3262.810
362.5087 3262.271
362.9908 3276.961
363.4730 3316.069
363.9551 3376.968
364.4372 3449.258
364.9193 3536.727
365.4014 3627.430
365.8835 3720.723
366.3657 3813.060
366.8478 3900.679
367.3299 3983.870
367.8120 4053.827
368.2941 4094.395
368.7762 4102.555
369.2584 4098.338
369.7405 4083.365
370.2226 4058.067
370.7047 4023.645
371.1868 3979.625
371.6689 3924.404
372.1511 3859.326
372.6332 3783.331
373.1153 3671.213
373.5974 3519.092
374.0795 3337.986
374.5616 3119.318
375.0438 2874.933
375.5259 2625.818
376.0080 2382.488
376.4901 2148.941
376.9722 1941.950
377.4543 1766.701
377.9365 1611.000
378.4186 1477.574
378.9007 1361.079
379.3828 1257.682
379.8649 1165.947
380.3470 1085.135
380.8292 1014.842
381.3113 957.3761
381.7934 904.3246
382.2755 856.6151
382.7576 811.8495
383.2397 768.1564
383.7219 725.9629
384.2040 688.3371
384.6861 658.4173
385.1682 635.4766
385.6503 609.0490
386.1324 574.7098
386.6146 541.8016
387.0967 512.5574
387.5788 485.7351
388.0609 459.7935
388.5430 434.1897
389.0251 408.5199
389.5073 381.5682
389.9894 351.5490
390.4715 324.2875
390.9536 300.0571
391.4357 278.2510
391.9178 259.1678
392.4000 242.3782
392.8821 226.1270
393.3642 208.4368
393.8463 189.1689
394.3284 171.8433
394.8105 156.5685
395.2927 143.1887
395.7748 132.0338
396.2569 122.5872
396.7390 114.0359
397.2211 106.1191
397.7032 98.57843
398.1854 90.65039
398.6675 81.70880
399.1496 74.25415
399.6317 70.29327
400.1138 67.24194
400.5959 63.33636
401.0781 58.27637
401.5602 52.56299
402.0423 45.73029
402.5244 38.10803
403.0065 33.70953
403.4886 35.48352
403.9708 36.93884
404.4529 32.52124
404.9350 24.11420
405.4171 16.94110
405.8992 13.35498
406.3813 12.26471
406.8635 12.83344
407.3456 15.42267
407.8277 16.14209
408.3098 11.30273
408.7919 4.190491
409.2740 0.6593020
409.7562 2.291199
410.2383 4.123352
410.7204 2.775574
411.2025 0.7824100
411.6846 3.793640
412.1667 5.596741
412.6489 6.680359
413.1310 7.611877
413.6131 8.424072
414.0952 8.671692
414.5773 7.845520
415.0594 6.698853
415.5416 5.697327
416.0237 4.949707
416.5058 4.903259
416.9879 6.092102
417.4700 8.149963
417.9521 9.068481
418.4343 7.609436
418.9164 6.671265
419.3985 7.591980
419.8806 9.354675
420.3627 10.48608
420.8448 10.53326
421.3270 9.918579
421.8091 9.162292
422.2912 7.942383
422.7733 7.544250
423.2554 8.837280
423.7375 10.15466
424.2197 10.50330
424.7018 9.941956
425.1839 8.848206
425.6660 7.335022
426.1481 5.670715
426.6302 5.848816
427.1124 11.64240
427.5945 14.56348
428.0766 10.88159
428.5587 5.230042
429.0408 2.552734
429.5229 4.238098
430.0051 7.647522
430.4872 9.189026
430.9693 8.533813
431.4514 7.314087
431.9335 4.791077
432.4156 2.368042
432.8978 0.2747800
433.3799 1.279236
433.8620 1.826233
434.3441 0.7058110
434.8262 1.307495
435.3083 1.861938
435.7905 0.4766240
436.2726 0.9147340
436.7547 1.375793
437.2368 1.689575
437.7189 2.774780
438.2010 4.874451
438.6832 6.676758
439.1653 6.528137
439.6474 4.900146
440.1295 4.555115
440.6116 6.457581
441.0938 8.655579
441.5759 9.099487
442.0580 8.400330
442.5401 8.468201
443.0222 10.48816
443.5043 13.04639
443.9865 15.10339
444.4686 16.59125
444.9507 16.68567
445.4328 14.19763
445.9149 10.92163
446.3970 11.41339
446.8792 17.21405
447.3613 21.55890
447.8434 21.48950
448.3255 19.50256
448.8076 18.63220
449.2897 19.38239
449.7719 20.57556
450.2540 21.10876
450.7361 20.93689
451.2182 20.98560
451.7003 21.49017
452.1824 21.94659
452.6646 21.97980
453.1467 21.99768
453.6288 22.55402
454.1109 23.74268
454.5930 25.30182
455.0751 27.00690
455.5573 29.65753
456.0394 31.10236
456.5215 30.24469
457.0036 29.27692
457.4857 29.45319
457.9678 30.58417
458.4500 31.86725
458.9321 32.69324
459.4142 33.08868
459.8963 33.11499
460.3784 32.46686
460.8605 31.98907
461.3427 31.45996
461.8248 31.35840
462.3069 32.53162
462.7890 35.35626
463.2711 38.58405
463.7532 40.70374
464.2354 41.43915
464.7175 41.50909
465.1996 41.07263
465.6817 40.53210
466.1638 39.81671
466.6459 39.04755
467.1281 38.66138
467.6102 39.05444
468.0923 39.66803
468.5744 39.71375
469.0565 39.25562
469.5386 39.30817
470.0208 40.42432
470.5029 42.04877
470.9850 43.37781
471.4671 44.58948
471.9492 44.91455
472.4313 42.98645
472.9135 40.81238
473.3956 40.73511
473.8777 42.84027
474.3598 45.57367
474.8419 48.06378
475.3240 50.12189
475.8062 50.18982
476.2883 47.14703
476.7704 43.85754
477.2525 39.75500
477.7346 36.10498
478.2167 35.07153
478.6989 37.06598
479.1810 39.81116
479.6631 40.13416
480.1452 37.24316
480.6273 35.89270
481.1094 37.81982
481.5916 39.23926
482.0737 38.90692
482.5558 37.47034
483.0379 35.80713
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