#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:53 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1163 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000582.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_1000582
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 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            R050646.rod
_rod_data_source.block           3500000
_rod_database.code               1000582
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
156.1469 0.0000000E+00
156.6290 7.402344
157.1111 53.23633
157.5932 215.0820
158.0753 443.7871
158.5574 691.3984
159.0396 918.8496
159.5217 1113.840
160.0038 1322.445
160.4859 1536.068
160.9680 1774.121
161.4501 2065.877
161.9323 2380.396
162.4144 2672.418
162.8965 2885.826
163.3786 2997.107
163.8607 3141.475
164.3428 3313.988
164.8250 3497.852
165.3071 3705.449
165.7892 3939.463
166.2713 4195.369
166.7534 4479.752
167.2355 4807.545
167.7177 5096.738
168.1998 5283.125
168.6819 5385.248
169.1640 5500.877
169.6461 5631.119
170.1282 5759.711
170.6104 5877.977
171.0925 6010.574
171.5746 6201.365
172.0567 6487.285
172.5388 6802.508
173.0209 7040.658
173.5031 7199.523
173.9852 7325.086
174.4673 7421.223
174.9494 7508.070
175.4315 7609.654
175.9136 7768.379
176.3958 7983.172
176.8779 8148.092
177.3600 8205.725
177.8421 8158.670
178.3242 8005.891
178.8063 7738.924
179.2885 7365.023
179.7706 7017.934
180.2527 6787.797
180.7348 6452.568
181.2169 5964.066
181.6990 5451.344
182.1812 4957.389
182.6633 4497.854
183.1454 4079.297
183.6275 3717.904
184.1096 3447.695
184.5917 3165.410
185.0738 2872.312
185.5560 2572.670
186.0381 2254.094
186.5202 1917.730
187.0023 1588.562
187.4844 1306.973
187.9665 1100.910
188.4487 905.3203
188.9308 726.7148
189.4129 551.0117
189.8950 358.9375
190.3771 142.3242
190.8592 78.03906
191.3414 260.5586
191.8235 384.9141
192.3056 513.1562
192.7877 666.3711
193.2698 825.6211
193.7519 963.2188
194.2341 1068.332
194.7162 1150.457
195.1983 1222.789
195.6804 1284.402
196.1625 1343.629
196.6446 1416.719
197.1268 1488.203
197.6089 1513.508
198.0910 1463.293
198.5731 1383.137
199.0552 1349.863
199.5373 1367.410
200.0195 1382.465
200.5016 1382.371
200.9837 1358.770
201.4658 1269.102
201.9479 1053.020
202.4300 806.0234
202.9122 655.2773
203.3943 609.1602
203.8764 567.2734
204.3585 444.2148
204.8406 238.9102
205.3227 36.75391
205.8048 114.9414
206.2870 276.6016
206.7691 506.2383
207.2512 807.2656
207.7333 1102.160
208.2154 1278.297
208.6975 1304.316
209.1797 1401.395
209.6618 1647.559
210.1439 1951.359
210.6260 2281.523
211.1081 2626.906
211.5902 2966.102
212.0724 3267.375
212.5545 3506.477
213.0366 3764.391
213.5187 4046.875
214.0008 4437.039
214.4829 4843.477
214.9651 5260.930
215.4472 5682.648
215.9293 6096.047
216.4114 6498.172
216.8935 6898.531
217.3756 7339.227
217.8578 7752.523
218.3399 8065.805
218.8220 8273.477
219.3041 8471.211
219.7862 8810.492
220.2683 9440.320
220.7505 9917.078
221.2326 10120.91
221.7147 10267.27
222.1968 10534.89
222.6789 10961.73
223.1610 11448.41
223.6432 11847.88
224.1253 12106.14
224.6074 12378.07
225.0895 12695.29
225.5716 13010.10
226.0537 13270.12
226.5358 13466.30
227.0180 13629.66
227.5001 13801.16
227.9822 13979.53
228.4643 14165.41
228.9464 14390.20
229.4285 14607.65
229.9107 14738.25
230.3928 14761.00
230.8749 14770.73
231.3570 14906.26
231.8391 15185.38
232.3212 15388.28
232.8034 15420.74
233.2855 15379.98
233.7676 15392.31
234.2497 15486.49
234.7318 15606.14
235.2139 15704.26
235.6961 15782.13
236.1782 15827.01
236.6603 15796.65
237.1424 15741.10
237.6245 15743.99
238.1066 15826.20
238.5888 15950.57
239.0709 16130.93
239.5530 16337.12
240.0351 16473.12
240.5172 16446.77
240.9993 16341.16
241.4815 16314.41
241.9636 16395.18
242.4457 16518.28
242.9278 16637.05
243.4099 16759.23
243.8920 16905.06
244.3742 17103.13
244.8563 17324.16
245.3384 17488.87
245.8205 17555.38
246.3026 17668.37
246.7847 17954.80
247.2668 18329.29
247.7490 18653.53
248.2311 18841.23
248.7132 18944.45
249.1953 19120.89
249.6774 19420.91
250.1595 19698.58
250.6417 19842.89
251.1238 19939.98
251.6059 20103.12
252.0880 20394.61
252.5701 20774.34
253.0522 21153.62
253.5344 21523.77
254.0165 21902.58
254.4986 22263.43
254.9807 22644.50
255.4628 23102.82
255.9449 23666.09
256.4271 24307.64
256.9092 24971.33
257.3913 25659.02
257.8734 26351.69
258.3555 27007.62
258.8376 27685.23
259.3198 28461.27
259.8019 29367.00
260.2840 30347.60
260.7661 31285.65
261.2482 32166.48
261.7303 33010.26
262.2125 33751.42
262.6946 34514.92
263.1767 35420.47
263.6588 36504.80
264.1409 37663.08
264.6230 38728.08
265.1052 39674.33
265.5873 40564.06
266.0694 41373.28
266.5515 42152.11
267.0336 42935.28
267.5157 43727.03
267.9979 44504.59
268.4800 45234.83
268.9621 45913.76
269.4442 46538.36
269.9263 47151.52
270.4084 47693.95
270.8906 48121.46
271.3727 48430.45
271.8548 48645.09
272.3369 48790.55
272.8190 48847.80
273.3011 48885.84
273.7833 48981.81
274.2654 49003.34
274.7475 48825.33
275.2296 48477.38
275.7117 48116.86
276.1938 47913.36
276.6760 47918.77
277.1581 47757.72
277.6402 47382.03
278.1223 46929.61
278.6044 46424.05
279.0865 45890.23
279.5686 45372.36
280.0508 44903.62
280.5329 44483.70
281.0150 44110.95
281.4971 43823.30
281.9792 43532.08
282.4613 43229.80
282.9435 42898.12
283.4256 42503.03
283.9077 42021.05
284.3898 41455.41
284.8719 40848.23
285.3540 40173.62
285.8362 39491.44
286.3183 38796.39
286.8004 38105.73
287.2825 37447.19
287.7646 36833.61
288.2467 36264.33
288.7289 35735.36
289.2110 35320.31
289.6931 34854.92
290.1752 34340.22
290.6573 33755.52
291.1394 33055.05
291.6216 32216.86
292.1037 31304.00
292.5858 30435.03
293.0679 29643.95
293.5500 28839.39
294.0321 27984.05
294.5143 27124.14
294.9964 26323.89
295.4785 25597.62
295.9606 24894.55
296.4427 24146.83
296.9248 23350.30
297.4070 22502.56
297.8891 21524.08
298.3712 20541.11
298.8533 19677.83
299.3354 18950.78
299.8175 18265.44
300.2997 17522.88
300.7818 16707.05
301.2639 15958.56
301.7460 15310.28
302.2281 14705.39
302.7102 14109.27
303.1924 13519.30
303.6745 12930.42
304.1566 12325.03
304.6387 11711.81
305.1208 11186.41
305.6029 10771.92
306.0851 10409.88
306.5672 10055.81
307.0493 9725.719
307.5314 9471.516
308.0135 9321.219
308.4956 9272.250
308.9778 9316.000
309.4599 9545.703
309.9420 9736.641
310.4241 9767.188
310.9062 9712.594
311.3883 9703.484
311.8705 9785.109
312.3526 9963.453
312.8347 10266.48
313.3168 10717.83
313.7989 11213.58
314.2810 11735.31
314.7632 12289.59
315.2453 12890.97
315.7274 13541.72
316.2095 14236.39
316.6916 14976.91
317.1737 15774.80
317.6559 16582.86
318.1380 17352.36
318.6201 18157.80
319.1022 19097.19
319.5843 20178.75
320.0664 21275.62
320.5485 22271.33
321.0306 23150.00
321.5128 24047.83
321.9949 24921.11
322.4770 25852.70
322.9591 26936.14
323.4412 28142.08
323.9233 29359.39
324.4055 30517.06
324.8876 31623.30
325.3697 32671.61
325.8518 33524.53
326.3339 34481.80
326.8160 35749.00
327.2982 37195.00
327.7803 38552.72
328.2624 39696.80
328.7445 40683.53
329.2266 41663.33
329.7087 42628.30
330.1909 43615.16
330.6730 44627.84
331.1551 45651.53
331.6372 46683.98
332.1193 47729.45
332.6014 48764.94
333.0836 49753.61
333.5657 50670.98
334.0478 51595.72
334.5299 52575.91
335.0120 53532.03
335.4941 54395.67
335.9763 55154.83
336.4584 55856.09
336.9405 56531.19
337.4226 57179.80
337.9047 57851.17
338.3868 58647.94
338.8690 59366.33
339.3511 59896.44
339.8332 60263.27
340.3153 60549.97
340.7974 60805.03
341.2795 61028.55
341.7617 61212.19
342.2438 61363.48
342.7259 61475.38
343.2080 61545.72
343.6901 61576.33
344.1722 61577.88
344.6544 61556.55
345.1365 61491.41
345.6186 61340.00
346.1007 61114.61
346.5828 60762.02
347.0649 60228.84
347.5471 59602.77
348.0292 58954.98
348.5113 58305.69
348.9934 57626.78
349.4755 56901.12
349.9576 56133.09
350.4398 55264.31
350.9219 54215.05
351.4040 53153.34
351.8861 52198.88
352.3682 51325.42
352.8503 50421.91
353.3325 49408.67
353.8146 48292.92
354.2967 47150.67
354.7788 45935.80
355.2609 44748.94
355.7430 43655.00
356.2252 42592.45
356.7073 41457.50
357.1894 40202.25
357.6715 38880.17
358.1536 37608.50
358.6357 36425.67
359.1179 35240.47
359.5999 34026.97
360.0821 32823.97
360.5642 31693.92
361.0463 30631.66
361.5284 29567.11
362.0105 28390.47
362.4926 27051.62
362.9748 25796.80
363.4569 24655.86
363.9390 23569.28
364.4211 22544.47
364.9032 21550.59
365.3853 20546.72
365.8675 19489.59
366.3496 18391.33
366.8317 17373.34
367.3138 16495.62
367.7959 15626.95
368.2780 14703.39
368.7602 13787.73
369.2423 12964.94
369.7244 12278.55
370.2065 11673.17
370.6886 11045.73
371.1707 10405.70
371.6529 9718.516
372.1350 8936.500
372.6171 8137.656
373.0992 7338.312
373.5813 6557.703
374.0634 5826.109
374.5456 5191.219
375.0277 4658.125
375.5098 4140.219
375.9919 3630.078
376.4740 3141.484
376.9561 2696.641
377.4383 2275.781
377.9204 1840.547
378.4025 1346.656
378.8846 833.5938
379.3667 403.1875
379.8488 63.29688
380.3310 210.8203
380.8131 362.8281
381.2952 483.8047
381.7773 671.5547
382.2594 958.5234
382.7415 1283.195
383.2237 1602.945
383.7058 1920.039
384.1879 2147.195
384.6700 2242.102
385.1521 2256.805
385.6342 2225.109
386.1164 2150.914
386.5985 2103.805
387.0806 2164.961
387.5627 2270.453
388.0448 2249.641
388.5269 2059.078
389.0091 1857.109
389.4912 1777.586
389.9733 1771.688
390.4554 1734.570
390.9375 1625.578
391.4196 1493.773
391.9018 1393.328
392.3839 1319.727
392.8660 1222.992
393.3481 1075.703
393.8302 892.9531
394.3123 724.0078
394.7945 605.6250
395.2766 403.6953
395.7587 28.71875
396.2408 558.0781
396.7229 926.9531
397.2050 1060.828
397.6872 1152.336
398.1693 1443.609
398.6514 1964.523
399.1335 2366.922
399.6156 2569.656
400.0977 2704.453
400.5798 2829.906
401.0620 2959.719
401.5441 3133.516
402.0262 3389.133
402.5083 3706.625
402.9904 3965.289
403.4725 4092.789
403.9547 4250.922
404.4368 4506.133
404.9189 4799.273
405.4010 5049.898
405.8831 5233.617
406.3652 5388.023
406.8474 5573.078
407.3295 5814.406
407.8116 6024.961
408.2937 6191.812
408.7758 6341.602
409.2579 6513.312
409.7401 6684.086
410.2222 6771.984
410.7043 6695.297
411.1864 6491.352
411.6685 6460.820
412.1506 6798.547
412.6328 7070.953
413.1149 7226.188
413.5970 7286.008
414.0791 7252.758
414.5612 7130.781
415.0433 6978.000
415.5255 6892.820
416.0076 6900.281
416.4897 6892.188
416.9718 6862.742
417.4539 6813.625
417.9360 6723.375
418.4182 6607.102
418.9003 6522.672
419.3824 6523.125
419.8645 6586.484
420.3466 6604.680
420.8287 6571.516
421.3109 6507.086
421.7930 6403.203
422.2751 6283.203
422.7572 6178.828
423.2393 6102.945
423.7214 6027.047
424.2036 5920.070
424.6857 5785.211
425.1678 5651.234
425.6499 5530.883
426.1320 5400.578
426.6141 5229.680
427.0963 5026.805
427.5784 4837.336
428.0605 4688.414
428.5426 4559.031
429.0247 4421.125
429.5068 4270.109
429.9890 4124.391
430.4711 4004.211
430.9532 3894.500
431.4353 3755.531
431.9174 3556.672
432.3995 3377.375
432.8817 3264.438
433.3638 3199.953
433.8459 3152.719
434.3280 3119.016
434.8101 3070.367
435.2922 2957.164
435.7744 2750.906
436.2565 2609.875
436.7386 2603.703
437.2207 2606.023
437.7028 2527.844
438.1849 2373.836
438.6671 2202.945
439.1492 2055.078
439.6313 1922.523
440.1134 1777.094
440.5955 1573.336
441.0776 1404.930
441.5598 1294.461
442.0418 1218.641
442.5240 1180.562
443.0061 1178.859
443.4882 1172.500
443.9703 1102.531
444.4524 950.8906
444.9345 792.8984
445.4167 562.2812
445.8988 394.3125
446.3809 403.5547
446.8630 513.0234
447.3451 558.4453
447.8272 438.4219
448.3094 229.8594
448.7915 130.2109
449.2736 179.5469
449.7557 220.4531
450.2378 220.6719
450.7199 191.8672
451.2021 117.6172
451.6842 6.164063
452.1663 65.32031
452.6484 1.140625
453.1305 156.6641
453.6126 226.0781
454.0948 138.2578
454.5769 78.02344
455.0590 239.7188
455.5411 512.6953
456.0232 702.1094
456.5053 736.4609
456.9875 724.0000
457.4696 717.9141
457.9517 729.0000
458.4338 825.0938
458.9159 1058.984
459.3980 1315.594
459.8802 1390.273
460.3623 1267.227
460.8444 1228.367
461.3265 1408.844
461.8086 1619.766
462.2907 1671.383
462.7729 1577.656
463.2550 1502.688
463.7371 1562.180
464.2192 1731.164
464.7013 1847.844
465.1834 1842.965
465.6656 1874.043
466.1477 1965.297
466.6298 2093.031
467.1119 2260.230
467.5940 2461.281
468.0761 2643.199
468.5583 2725.062
469.0404 2670.988
469.5225 2694.012
470.0046 2918.645
470.4867 3095.242
470.9688 3109.801
471.4510 3047.750
471.9331 3052.164
472.4152 3191.199
472.8973 3379.324
473.3794 3448.762
473.8615 3365.508
474.3437 3320.699
474.8258 3388.547
475.3079 3486.945
475.7900 3578.695
476.2721 3656.504
476.7542 3703.574
477.2364 3694.816
477.7185 3650.594
478.2006 3608.719
478.6827 3571.762
479.1648 3550.508
479.6469 3553.527
480.1291 3573.094
480.6112 3600.641
481.0933 3648.668
481.5754 3674.219
482.0575 3620.199
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