#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 989 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000446.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_1000446
loop_
_publ_author_name
'Belovitskaya, Yu.V.'
'Pekov, I.V.'
'Gobechiya, E.R.'
'Kabalov, Yu.K.'
'Subbotin, V.V.'
_publ_section_title
;
 Crystal structure of calcioburbankite and the characteristic features of
 the burbankite structural type
;
_journal_name_full               Kristallografiya
_journal_page_first              1009
_journal_page_last               1013
_journal_volume                  46
_journal_year                    2001
_chemical_compound_source        R050646
_chemical_formula_sum            'C5 Ba0.5 Ca1.44 Ce0.78 Na2.67 O15 Sr0.55'
_chemical_name_systematic
;
(Na2.23 Ca0.49 Ce0.09) (Ca0.95 Ce0.69 Sr0.55 Ba0.50 Na0.44) (C O3)5
;
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.4974
_cell_length_b                   10.4974
_cell_length_c                   6.4309
_cell_volume                     613.714
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Belovitskaya_KRISAJ_2001_1828.cif
_cod_data_source_block           C5Ba0.5Ca1.44Ce0.78Na2.67O15Sr0.55
_cod_original_cell_volume        613.7138
_cod_database_code               1525666
_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            R050646.rod
_rod_data_source.block           3500000
_rod_database.code               1000446
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 1525666 COD http://www.crystallography.net/cod/1525666.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
153.9032 0.0000000E+00
154.3853 3.184326
154.8674 5.745605
155.3495 7.677612
155.8316 3.561157
156.3137 0.3448490
156.7959 0.6794430
157.2780 0.2503660
157.7601 0.2644040
158.2422 4.2479999E-02
158.7243 3.3325002E-02
159.2065 1.179688
159.6886 4.337646
160.1707 6.998047
160.6528 7.849609
161.1349 7.555054
161.6170 7.903320
162.0992 10.22876
162.5813 12.95178
163.0634 15.06555
163.5455 16.41431
164.0276 17.02551
164.5097 16.31689
164.9919 14.67896
165.4740 13.64807
165.9561 13.89819
166.4382 15.12634
166.9203 17.11975
167.4024 21.04700
167.8846 24.48193
168.3667 25.06421
168.8488 23.31067
169.3309 22.56763
169.8130 26.17126
170.2952 31.56763
170.7773 35.56775
171.2594 36.50012
171.7415 36.10437
172.2236 35.43591
172.7057 34.51904
173.1879 33.94458
173.6700 34.21497
174.1521 35.09021
174.6342 36.16638
175.1163 37.53674
175.5984 38.87183
176.0806 39.93372
176.5627 40.72217
177.0448 40.91614
177.5269 39.72717
178.0090 37.69885
178.4911 36.03699
178.9733 35.84192
179.4554 36.19641
179.9375 35.55920
180.4196 33.88745
180.9017 31.77161
181.3838 29.71338
181.8660 27.73792
182.3481 25.75269
182.8302 23.67810
183.3123 21.61841
183.7944 19.83240
184.2766 18.32544
184.7587 17.01831
185.2408 15.88818
185.7229 14.91296
186.2050 13.74402
186.6871 11.96155
187.1693 9.784546
187.6514 8.287109
188.1335 7.521362
188.6156 7.174316
189.0977 6.775146
189.5798 6.326538
190.0620 5.952637
190.5441 5.847534
191.0262 5.900024
191.5083 5.320190
191.9904 3.773926
192.4725 2.120117
192.9547 2.007690
193.4368 3.466797
193.9189 5.056152
194.4010 5.789673
194.8831 5.765381
195.3652 6.417725
195.8474 7.865112
196.3295 10.00391
196.8116 12.92944
197.2937 16.76001
197.7758 20.27234
198.2579 22.34180
198.7401 22.91064
199.2222 24.61804
199.7043 27.89282
200.1864 32.09937
200.6685 35.79102
201.1507 38.83826
201.6328 41.88184
202.1149 45.27930
202.5970 49.04333
203.0791 52.96387
203.5612 56.97046
204.0434 61.14075
204.5255 65.88794
205.0076 71.50720
205.4897 76.71521
205.9718 80.49023
206.4539 82.52490
206.9361 85.06445
207.4182 88.42737
207.9003 92.37488
208.3824 96.10120
208.8645 99.41357
209.3466 103.0380
209.8288 107.8711
210.3109 114.6046
210.7930 119.3236
211.2751 120.7694
211.7572 120.0244
212.2393 122.0662
212.7215 127.7883
213.2036 134.2896
213.6857 139.8271
214.1678 144.2205
214.6499 148.1875
215.1320 151.9681
215.6142 155.4027
216.0963 157.8203
216.5784 158.8442
217.0605 159.5618
217.5426 160.4017
218.0247 160.8447
218.5069 163.1404
218.9890 168.4747
219.4711 175.8663
219.9532 180.4428
220.4353 180.8724
220.9175 180.7427
221.3996 182.4085
221.8817 186.7169
222.3638 190.6795
222.8459 194.2072
223.3280 197.2068
223.8102 199.0002
224.2923 199.0814
224.7744 198.7222
225.2565 198.9293
225.7386 200.6307
226.2207 200.6184
226.7029 198.4242
227.1850 194.2460
227.6671 189.1898
228.1492 182.7072
228.6313 176.1235
229.1134 170.1655
229.5956 164.5220
230.0777 160.1721
230.5598 157.8937
231.0419 157.0574
231.5240 154.2335
232.0062 148.0046
232.4883 141.7427
232.9704 137.6558
233.4525 137.1697
233.9346 135.7374
234.4167 132.7221
234.8989 128.4865
235.3810 124.7155
235.8631 121.3738
236.3452 118.4543
236.8273 115.9412
237.3094 114.1176
237.7916 111.9982
238.2737 109.1279
238.7558 105.8648
239.2379 103.7437
239.7200 103.4316
240.2021 103.3268
240.6843 102.4351
241.1664 99.96289
241.6485 98.54413
242.1306 99.11548
242.6127 100.8276
243.0948 100.2972
243.5770 96.01050
244.0591 91.61292
244.5412 89.21155
245.0233 90.27509
245.5054 90.12317
245.9876 88.68311
246.4697 86.01489
246.9518 81.73157
247.4339 74.05261
247.9160 67.32312
248.3981 63.89807
248.8803 65.38373
249.3624 65.95526
249.8445 65.10229
250.3266 63.47400
250.8087 62.87579
251.2908 64.07819
251.7730 64.95734
252.2551 64.41949
252.7372 61.37402
253.2193 59.82410
253.7014 60.22119
254.1835 61.72021
254.6657 62.57294
255.1478 62.69305
255.6299 62.51190
256.1120 62.13470
256.5941 61.47064
257.0763 60.97516
257.5584 60.45343
258.0405 60.22327
258.5226 61.20483
259.0047 64.34839
259.4868 66.72003
259.9690 66.79175
260.4511 63.87421
260.9332 62.15649
261.4153 61.99390
261.8974 62.82623
262.3795 63.67517
262.8617 64.52930
263.3438 65.10358
263.8259 65.03064
264.3080 64.14050
264.7901 64.45184
265.2722 66.73083
265.7544 69.39722
266.2365 69.81116
266.7186 67.03754
267.2007 64.79352
267.6828 64.58771
268.1649 66.55609
268.6471 67.20612
269.1292 65.90942
269.6113 64.12903
270.0934 63.82355
270.5755 65.45477
271.0576 66.77332
271.5398 67.17719
272.0219 66.66937
272.5040 65.81714
272.9861 64.50238
273.4682 63.12775
273.9503 62.10815
274.4325 61.51929
274.9146 60.99542
275.3967 60.52753
275.8788 60.04425
276.3610 59.02985
276.8431 57.37097
277.3252 55.62604
277.8073 54.51398
278.2894 54.14709
278.7715 53.10193
279.2537 50.66766
279.7358 47.42535
280.2179 46.22223
280.7000 47.57928
281.1821 48.60443
281.6642 46.03137
282.1464 39.83051
282.6285 36.04553
283.1106 36.38171
283.5927 39.13391
284.0748 39.53363
284.5569 37.34515
285.0391 34.77313
285.5212 33.17969
286.0033 32.51581
286.4854 32.37109
286.9675 32.80017
287.4496 33.53229
287.9318 34.18823
288.4139 34.75665
288.8960 34.91217
289.3781 33.98877
289.8602 32.31976
290.3423 31.74756
290.8245 32.69196
291.3066 34.13959
291.7887 34.85577
292.2708 34.81561
292.7529 33.69623
293.2350 30.69928
293.7172 26.44635
294.1993 23.04260
294.6814 20.65179
295.1635 18.65491
295.6456 16.26135
296.1277 13.58630
296.6099 11.18494
297.0920 9.430603
297.5741 8.146973
298.0562 7.119751
298.5383 6.380554
299.0204 5.720764
299.5026 4.970459
299.9847 4.153992
300.4668 3.251099
300.9489 2.224182
301.4311 1.181213
301.9132 0.4356690
302.3953 4.0649001E-02
302.8774 0.6233520
303.3595 1.828613
303.8416 3.325989
304.3238 4.633301
304.8059 5.760193
305.2880 6.404907
305.7701 5.867432
306.2522 4.342163
306.7343 2.964600
307.2165 2.703918
307.6986 2.963745
308.1807 2.951538
308.6628 2.245300
309.1449 1.634521
309.6270 2.154541
310.1092 3.403992
310.5913 4.023132
311.0734 2.746887
311.5555 0.8083500
312.0376 0.8007810
312.5197 1.969971
313.0019 2.614746
313.4840 2.419434
313.9661 1.662659
314.4482 0.9094240
314.9303 0.3607180
315.4124 7.1837999E-02
315.8946 0.5247190
316.3767 1.107178
316.8588 1.160339
317.3409 0.4470210
317.8230 2.519531
318.3051 3.483643
318.7873 1.551941
319.2694 0.4673460
319.7515 1.444885
320.2336 1.257813
320.7157 0.6967770
321.1978 0.6770020
321.6800 2.027527
322.1621 2.596008
322.6442 1.398438
323.1263 0.2710570
323.6084 0.3445430
324.0905 0.4750980
324.5727 0.5665280
325.0548 0.9680790
325.5369 1.146484
326.0190 0.7722780
326.5012 0.6943360
326.9833 2.128113
327.4654 3.654968
327.9475 5.150940
328.4296 6.075989
328.9117 5.246704
329.3939 4.886780
329.8760 6.082520
330.3581 10.89099
330.8402 13.37738
331.3223 12.00391
331.8044 8.726807
332.2866 7.595215
332.7687 9.949951
333.2508 12.48273
333.7329 14.21344
334.2150 15.04443
334.6971 15.43011
335.1793 15.09985
335.6614 14.59094
336.1435 14.58014
336.6256 15.09808
337.1077 16.08820
337.5898 17.75885
338.0720 20.06696
338.5541 21.66211
339.0362 22.44525
339.5183 22.81360
340.0004 23.00842
340.4825 22.96808
340.9647 23.26917
341.4468 24.15948
341.9289 25.38055
342.4110 26.01105
342.8931 25.96594
343.3752 25.84186
343.8574 25.94861
344.3395 26.27997
344.8216 26.94110
345.3037 27.89740
345.7858 29.23877
346.2679 31.64282
346.7501 35.00165
347.2322 37.43518
347.7143 37.33813
348.1964 35.49042
348.6785 34.48492
349.1607 34.49036
349.6428 34.79724
350.1249 34.73425
350.6070 34.33411
351.0891 33.65271
351.5713 32.26843
352.0534 30.84174
352.5355 30.51923
353.0176 31.28058
353.4997 32.14453
353.9818 32.25775
354.4640 32.00012
354.9461 32.02124
355.4282 32.97449
355.9103 33.67963
356.3924 32.38239
356.8745 29.69531
357.3567 28.06360
357.8388 30.26886
358.3209 33.33392
358.8030 34.50775
359.2851 32.66437
359.7672 30.59601
360.2494 29.91119
360.7315 30.00262
361.2136 29.75806
361.6957 28.18933
362.1778 26.63782
362.6599 25.94434
363.1421 26.33325
363.6242 26.46118
364.1063 25.70508
364.5884 24.62946
365.0705 23.76373
365.5526 23.37469
366.0348 23.00043
366.5169 22.53668
366.9990 21.97156
367.4811 21.45300
367.9632 20.98077
368.4453 20.54443
368.9275 20.24390
369.4096 20.53101
369.8917 20.38037
370.3738 19.15863
370.8559 17.43152
371.3380 16.84698
371.8202 18.07996
372.3023 19.51642
372.7844 20.79675
373.2665 22.33093
373.7487 21.89893
374.2308 18.76111
374.7129 14.43597
375.1950 10.60327
375.6771 6.707153
376.1592 4.967834
376.6414 6.658325
377.1235 11.23804
377.6056 13.78918
378.0877 14.04095
378.5698 13.58649
379.0519 14.02234
379.5341 15.32391
380.0162 15.72498
380.4983 14.44849
380.9804 12.35406
381.4625 11.80688
381.9446 12.80438
382.4268 13.90759
382.9089 14.21307
383.3910 13.91431
383.8731 13.65515
384.3552 13.56726
384.8373 13.46014
385.3195 12.91339
385.8016 12.14948
386.2837 11.81604
386.7658 12.61072
387.2479 13.68713
387.7300 13.87347
388.2122 13.22205
388.6943 12.37018
389.1764 11.43854
389.6585 10.69727
390.1406 10.55042
390.6227 11.33191
391.1049 12.44904
391.5870 13.78790
392.0691 15.13281
392.5512 15.99274
393.0333 15.73199
393.5154 15.18317
393.9976 14.83252
394.4797 14.73096
394.9618 14.93414
395.4439 15.68311
395.9260 16.68286
396.4081 17.53680
396.8903 17.93823
397.3724 18.41876
397.8545 19.35944
398.3366 20.80609
398.8188 21.52307
399.3009 20.45270
399.7830 19.28137
400.2651 19.09387
400.7472 20.80573
401.2293 22.09314
401.7115 22.53735
402.1936 22.50781
402.6757 23.27515
403.1578 25.64618
403.6399 27.41986
404.1220 27.26294
404.6042 24.53638
405.0863 23.78632
405.5684 25.57465
406.0505 28.39313
406.5326 30.42975
407.0147 31.66589
407.4969 32.35004
407.9790 32.53375
408.4611 32.23181
408.9432 31.25861
409.4253 29.53925
409.9074 28.01404
410.3896 27.70337
410.8717 28.30023
411.3538 28.32031
411.8359 27.37457
412.3180 26.19556
412.8001 26.17889
413.2823 26.95996
413.7644 27.05347
414.2465 24.69641
414.7286 21.60455
415.2107 20.33398
415.6928 21.07526
416.1750 21.83765
416.6571 20.91492
417.1392 19.12433
417.6213 17.57037
418.1034 17.06873
418.5855 16.45538
419.0677 14.36877
419.5498 11.41986
420.0319 9.880493
420.5140 12.66986
420.9961 15.76031
421.4782 16.56476
421.9604 13.92102
422.4425 11.17944
422.9246 8.294128
423.4067 5.960999
423.8889 5.096680
424.3710 7.525330
424.8531 9.669189
425.3352 10.68695
425.8173 10.57727
426.2994 10.49103
426.7816 10.69183
427.2637 10.65234
427.7458 9.947510
428.2279 8.115417
428.7100 6.675476
429.1921 5.731689
429.6743 5.243225
430.1564 5.288818
430.6385 6.087646
431.1206 6.571533
431.6027 6.107361
432.0848 4.748291
432.5670 3.862793
433.0491 3.502014
433.5312 3.431396
434.0133 3.521851
434.4954 3.750732
434.9775 3.944641
435.4597 4.232117
435.9418 4.222168
436.4239 2.677734
436.9060 8.8806003E-02
437.3881 2.177307
437.8702 2.044373
438.3524 0.6267090
438.8345 0.8715210
439.3166 2.365723
439.7987 3.677612
440.2808 4.936890
440.7629 5.859680
441.2451 5.997498
441.7272 4.620117
442.2093 2.908875
442.6914 1.002686
443.1735 0.9135740
443.6556 1.703796
444.1378 0.5344850
444.6199 3.046631
445.1020 4.018982
445.5841 2.353271
446.0662 0.7963870
446.5483 0.3182980
447.0305 1.091309
447.5126 1.704529
447.9947 2.480896
448.4768 2.694824
448.9590 2.088318
449.4411 0.6528930
449.9232 0.9925540
450.4053 3.327209
450.8874 5.175720
451.3695 5.388672
451.8517 3.426147
452.3338 2.254272
452.8159 2.339905
453.2980 3.116089
453.7801 3.439880
454.2622 3.276611
454.7444 3.107849
455.2265 3.228088
455.7086 3.509277
456.1907 3.417847
456.6728 2.942139
457.1549 2.418701
457.6371 1.953979
458.1192 1.683044
458.6013 2.019836
459.0834 3.356750
459.5655 4.830505
460.0476 5.577148
460.5298 5.703430
461.0119 5.481750
461.4940 4.531250
461.9761 3.647522
462.4582 3.643188
462.9403 4.656311
463.4225 5.473145
463.9046 5.398010
464.3867 4.933960
464.8688 4.556274
465.3509 4.749634
465.8330 4.645203
466.3152 3.819580
466.7973 2.497620
467.2794 1.515625
467.7615 0.7496950
468.2436 0.5389400
468.7257 1.208374
469.2079 3.090515
469.6900 4.010742
470.1721 3.478088
470.6542 2.589417
471.1363 2.545532
471.6184 3.501160
472.1006 4.327332
472.5827 4.932983
473.0648 5.316406
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