#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:33:54 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1149 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000569.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_1000569
loop_
_publ_author_name
'Dickens, B.'
'Bowen, J. S.'
_publ_section_title
;
 The crystal structure of BaCa(CO3)2 (barytocalcite) Locality: Cumberland,
 England
;
_journal_name_full
;Journal of Research of the National Bureau of Standards - Physics and
 Chemistry
;
_journal_page_first              197
_journal_page_last               203
_journal_volume                  75
_journal_year                    1971
_chemical_compound_source        R050288
_chemical_formula_sum            'C2 Ba Ca O6'
_chemical_name_mineral           Barytocalcite
_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                 106.05
_cell_angle_gamma                90
_cell_length_a                   8.092
_cell_length_b                   5.2344
_cell_length_c                   6.544
_cell_volume                     266.378
_exptl_crystal_density_diffrn    3.708
_cod_original_formula_sum        'Ba Ca C2 O6'
_cod_database_code               9013465
_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            R050288.rod
_rod_data_source.block           3500000
_rod_database.code               1000569
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 9013465 COD http://www.crystallography.net/cod/9013465.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.8968 0.0000000E+00
123.3789 2.1271000E-02
123.8610 2.027344
124.3431 5.831360
124.8252 11.89963
125.3074 20.85330
125.7895 31.40350
126.2716 42.14301
126.7537 53.48624
127.2358 65.98853
127.7179 79.74268
128.2001 92.79782
128.6822 105.5935
129.1643 117.8145
129.6464 130.0336
130.1285 138.7392
130.6107 139.7011
131.0928 136.3192
131.5749 129.8109
132.0570 120.0522
132.5391 106.0248
133.0212 89.40323
133.5033 70.71889
133.9855 55.25336
134.4676 44.24448
134.9497 34.90482
135.4318 26.09053
135.9139 17.62477
136.3960 10.11000
136.8782 4.307831
137.3603 0.4640960
137.8424 2.153061
138.3245 2.904984
138.8066 2.704712
139.2887 2.646606
139.7709 3.037994
140.2530 3.297394
140.7351 2.848862
141.2172 1.807892
141.6993 0.1872100
142.1814 3.694839
142.6636 8.367920
143.1457 12.92581
143.6278 16.78082
144.1099 20.81567
144.5920 25.73460
145.0741 31.53775
145.5563 37.88103
146.0384 44.67744
146.5205 52.01459
147.0026 58.92049
147.4847 64.67641
147.9668 70.31265
148.4490 76.25162
148.9311 82.59737
149.4132 89.46909
149.8953 97.07837
150.3774 105.7918
150.8595 114.6544
151.3417 123.9196
151.8238 133.1339
152.3059 141.9247
152.7880 150.0540
153.2701 157.6330
153.7522 164.9653
154.2344 172.5281
154.7165 179.1691
155.1986 184.2970
155.6807 188.6350
156.1628 192.9228
156.6449 197.4564
157.1271 202.3846
157.6092 208.4280
158.0913 215.8084
158.5734 223.8076
159.0555 232.2480
159.5376 241.1386
160.0198 250.4538
160.5019 260.0131
160.9840 270.1965
161.4661 281.7830
161.9482 295.5395
162.4303 309.8336
162.9125 324.3621
163.3946 339.0487
163.8767 351.9040
164.3588 362.5947
164.8409 370.0192
165.3230 372.5319
165.8052 369.2795
166.2873 361.4552
166.7694 350.0853
167.2515 334.3563
167.7336 317.5630
168.2157 300.5680
168.6979 283.4705
169.1800 266.4023
169.6621 249.1570
170.1442 232.0669
170.6263 216.0919
171.1084 202.0859
171.5906 187.9130
172.0727 172.5542
172.5548 156.6492
173.0369 140.9608
173.5190 125.8439
174.0011 111.3606
174.4833 98.07431
174.9654 86.61383
175.4475 75.82016
175.9296 65.47440
176.4117 55.64619
176.8938 46.30655
177.3760 37.34335
177.8581 28.71402
178.3402 22.26367
178.8223 19.07961
179.3044 16.71982
179.7865 14.56422
180.2687 12.54520
180.7508 11.48375
181.2329 10.66818
181.7150 10.08243
182.1971 10.35304
182.6792 12.17549
183.1614 14.13086
183.6435 15.34436
184.1256 15.80998
184.6077 16.14575
185.0898 16.86128
185.5719 18.01279
186.0541 19.31902
186.5362 20.26234
187.0183 21.65411
187.5004 24.45363
187.9825 28.80980
188.4646 33.55736
188.9468 37.44176
189.4289 40.77322
189.9110 45.03484
190.3931 51.45055
190.8752 58.74783
191.3573 64.62650
191.8395 68.18367
192.3216 72.27338
192.8037 79.39825
193.2858 88.62613
193.7679 98.20370
194.2500 107.1432
194.7322 115.7505
195.2143 125.3314
195.6964 136.5898
196.1785 147.8412
196.6606 158.6179
197.1427 168.7717
197.6249 177.8169
198.1070 185.1498
198.5891 190.9914
199.0712 197.3392
199.5533 206.4617
200.0354 213.4609
200.5176 217.1805
200.9997 217.4099
201.4818 213.9347
201.9639 206.3804
202.4460 194.7017
202.9281 180.8765
203.4103 163.2407
203.8924 144.8982
204.3745 126.2688
204.8566 107.5536
205.3387 89.21954
205.8208 71.41452
206.3030 53.80493
206.7851 39.43126
207.2672 29.35188
207.7493 21.05255
208.2314 13.98247
208.7135 7.980804
209.1957 3.026169
209.6778 0.8657070
210.1599 3.607895
210.6420 5.656845
211.1241 7.141098
211.6062 7.984390
212.0884 8.185028
212.5705 7.721283
213.0526 6.457397
213.5347 4.086426
214.0168 0.4228520
214.4989 2.356613
214.9811 3.107834
215.4632 3.940720
215.9453 6.203568
216.4274 9.975800
216.9095 14.60399
217.3916 19.68559
217.8737 25.26599
218.3559 30.73737
218.8380 35.70209
219.3201 40.85237
219.8022 46.99071
220.2843 54.17622
220.7664 61.46040
221.2486 68.13718
221.7307 74.30167
222.2128 80.14671
222.6949 86.32953
223.1770 91.88623
223.6591 95.66237
224.1413 97.55402
224.6234 98.25101
225.1055 98.38637
225.5876 97.62189
226.0697 94.99194
226.5518 89.46133
227.0340 82.33949
227.5161 75.20543
227.9982 67.78368
228.4803 61.32977
228.9624 57.07489
229.4445 54.13037
229.9267 51.42540
230.4088 48.61617
230.8909 45.84618
231.3730 43.28636
231.8551 40.67888
232.3372 39.01102
232.8194 38.95882
233.3015 39.87267
233.7836 41.03606
234.2657 42.11229
234.7478 43.33871
235.2299 45.17589
235.7121 47.45668
236.1942 50.82819
236.6763 55.25943
237.1584 60.73328
237.6405 67.14920
238.1227 74.41919
238.6048 82.91357
239.0869 93.75815
239.5690 108.5641
240.0511 123.0881
240.5332 135.8935
241.0154 148.3200
241.4975 161.5437
241.9796 176.0620
242.4617 191.5577
242.9438 207.1526
243.4259 223.5456
243.9081 238.9347
244.3902 253.3035
244.8723 266.5858
245.3544 278.2539
245.8365 288.2160
246.3186 297.4724
246.8008 308.4571
247.2829 322.2383
247.7650 336.3548
248.2471 350.2738
248.7292 364.6344
249.2113 379.9829
249.6935 396.5136
250.1756 414.1125
250.6577 432.6212
251.1398 452.4525
251.6219 472.5805
252.1040 491.7393
252.5862 511.6838
253.0683 534.2661
253.5504 559.8442
254.0325 587.1664
254.5146 614.1096
254.9967 639.2031
255.4789 666.7438
255.9610 696.8784
256.4431 729.1487
256.9252 763.8347
257.4073 800.9233
257.8894 839.1747
258.3716 877.5466
258.8537 917.8846
259.3358 951.8946
259.8179 981.4725
260.3000 1003.793
260.7821 1017.650
261.2643 1022.591
261.7464 1016.470
262.2285 996.8175
262.7106 961.1924
263.1927 914.5870
263.6748 851.3093
264.1570 780.8345
264.6391 708.8499
265.1212 636.4975
265.6033 566.9149
266.0854 503.2919
266.5675 446.5144
267.0497 395.6867
267.5318 352.5844
268.0139 314.3952
268.4960 279.0370
268.9781 246.4724
269.4602 217.4960
269.9424 193.0434
270.4245 173.3555
270.9066 156.0134
271.3887 141.7513
271.8708 129.2187
272.3529 117.4439
272.8351 106.4048
273.3172 96.60535
273.7993 88.56617
274.2814 82.03476
274.7635 75.61925
275.2456 68.93878
275.7278 62.83066
276.2099 58.08229
276.6920 54.57991
277.1741 51.30766
277.6562 47.58953
278.1383 44.02335
278.6205 41.74518
279.1026 41.16850
279.5847 40.91840
280.0668 40.15622
280.5489 38.92709
281.0310 37.49226
281.5132 35.62221
281.9953 34.00102
282.4774 33.55225
282.9595 34.41457
283.4416 35.55101
283.9237 36.34781
284.4059 36.91429
284.8880 37.65152
285.3701 38.60231
285.8522 39.82027
286.3343 41.39310
286.8164 43.30581
287.2986 45.26038
287.7807 47.24507
288.2628 49.17107
288.7449 50.71181
289.2270 51.74999
289.7091 52.52039
290.1913 53.44801
290.6734 54.38271
291.1555 54.65318
291.6376 53.73835
292.1197 51.96975
292.6018 50.08081
293.0840 48.14615
293.5661 45.99393
294.0482 43.45528
294.5303 40.65506
295.0124 37.71518
295.4945 34.48431
295.9767 31.27728
296.4588 28.78010
296.9409 27.20970
297.4230 25.60183
297.9051 23.11015
298.3872 20.36900
298.8694 18.11040
299.3515 16.53677
299.8336 15.53631
300.3157 15.17955
300.7978 15.62679
301.2799 15.68670
301.7621 14.35965
302.2442 12.70644
302.7263 11.61542
303.2084 11.25686
303.6905 11.39264
304.1726 11.90449
304.6548 12.81040
305.1369 13.66194
305.6190 14.36109
306.1011 14.95017
306.5832 15.51406
307.0653 16.05145
307.5475 16.39534
308.0296 16.25597
308.5117 15.69273
308.9938 15.44283
309.4759 15.84396
309.9580 16.29505
310.4402 16.54668
310.9223 16.55407
311.4044 16.16782
311.8865 15.11044
312.3686 13.53683
312.8507 12.11484
313.3329 10.92374
313.8150 9.775497
314.2971 8.510117
314.7792 7.199272
315.2613 5.964500
315.7434 4.847458
316.2256 3.844170
316.7077 2.953712
317.1898 2.190460
317.6719 1.453087
318.1540 0.5708850
318.6361 0.2620850
319.1183 0.7592240
319.6004 0.7530750
320.0825 0.6458740
320.5646 1.097290
321.0467 2.241425
321.5288 3.075249
322.0110 2.999275
322.4931 2.648594
322.9752 2.470520
323.4573 2.531490
323.9394 2.717381
324.4215 3.031418
324.9037 3.461399
325.3858 3.596214
325.8679 3.122154
326.3500 2.563782
326.8321 2.290771
327.3142 2.282490
327.7964 2.345375
328.2785 2.333496
328.7606 2.280815
329.2427 2.398003
329.7248 2.882469
330.2069 3.204536
330.6891 2.948833
331.1712 2.316250
331.6533 1.725971
332.1354 1.385773
332.6175 1.198139
333.0996 0.9404300
333.5818 0.5611150
334.0639 0.2867430
334.5460 0.3562510
335.0281 0.5453680
335.5102 0.5936700
335.9923 0.4014820
336.4745 0.1503490
336.9566 0.1137700
337.4387 0.3136900
337.9208 0.3101810
338.4029 0.2862240
338.8850 0.9753070
339.3671 1.199825
339.8492 0.8828770
340.3314 0.5839160
340.8135 0.8427620
341.2956 1.542316
341.7777 1.912407
342.2598 1.587688
342.7419 1.236320
343.2241 1.485920
343.7062 2.232422
344.1883 2.977440
344.6704 3.478539
345.1525 3.815067
345.6346 4.205887
346.1168 4.736145
346.5989 5.082344
347.0810 4.775791
347.5631 4.141071
348.0452 3.744488
348.5273 3.858429
349.0095 4.152210
349.4916 4.222809
349.9737 4.063950
350.4558 3.997677
350.9379 4.212891
351.4200 4.593910
351.9022 4.935139
352.3843 5.207378
352.8664 5.501686
353.3485 5.921688
353.8306 6.423958
354.3127 6.822266
354.7949 7.021206
355.2770 7.173956
355.7591 7.567644
356.2412 8.206203
356.7233 8.574036
357.2054 8.211048
357.6876 7.548124
358.1697 7.306484
358.6518 7.615118
359.1339 8.077219
359.6160 8.410492
360.0981 8.615284
360.5803 8.699631
361.0624 8.550072
361.5445 8.369225
362.0266 8.261730
362.5087 8.243065
362.9908 8.448536
363.4730 9.066486
363.9551 9.892731
364.4372 10.30285
364.9193 10.09232
365.4014 9.851112
365.8835 9.768181
366.3657 9.830952
366.8478 10.07063
367.3299 10.53762
367.8120 11.01754
368.2941 11.09392
368.7762 10.60840
369.2584 10.44209
369.7405 11.05303
370.2226 11.84076
370.7047 12.16426
371.1868 11.96319
371.6689 11.69038
372.1511 11.77314
372.6332 12.23189
373.1153 12.44304
373.5974 12.06871
374.0795 11.79572
374.5616 12.15579
375.0438 12.90231
375.5259 13.32932
376.0080 13.00776
376.4901 12.16963
376.9722 11.71317
377.4543 12.05447
377.9365 12.28995
378.4186 12.15201
378.9007 11.86218
379.3828 11.74128
379.8649 11.92147
380.3470 12.23867
380.8292 12.43712
381.3113 12.48583
381.7934 12.42060
382.2755 12.20598
382.7576 11.90054
383.2397 11.54430
383.7219 11.18676
384.2040 10.83245
384.6861 10.44866
385.1682 10.03217
385.6503 9.797684
386.1324 9.891531
386.6146 10.03417
387.0967 10.30415
387.5788 10.51472
388.0609 10.43929
388.5430 10.01522
389.0251 9.444851
389.5073 9.079712
389.9894 8.985952
390.4715 8.908539
390.9536 9.105751
391.4357 9.125305
391.9178 8.431570
392.4000 7.111586
392.8821 5.893452
393.3642 5.556229
393.8463 6.145487
394.3284 6.643461
394.8105 7.087906
395.2927 7.339817
395.7748 7.327335
396.2569 7.160023
396.7390 6.931164
397.2211 6.630304
397.7032 6.314230
398.1854 6.180431
398.6675 6.307571
399.1496 6.503471
399.6317 6.724459
400.1138 6.931541
400.5959 7.132000
401.0781 7.350527
401.5602 7.540802
402.0423 7.642727
402.5244 7.647646
403.0065 7.572063
403.4886 7.414431
403.9708 7.173944
404.4529 6.762217
404.9350 6.261690
405.4171 5.911598
405.8992 5.813036
406.3813 5.929899
406.8635 6.306931
407.3456 6.990166
407.8277 7.455568
408.3098 7.364985
408.7919 6.933611
409.2740 6.507200
409.7562 6.057808
410.2383 5.727671
410.7204 5.663210
411.2025 5.788694
411.6846 5.889996
412.1667 5.918903
412.6489 5.886988
413.1310 5.762047
413.6131 5.545504
414.0952 5.473885
414.5773 5.692442
415.0594 5.992773
415.5416 6.221413
416.0237 6.366760
416.5058 6.442255
416.9879 6.475655
417.4700 6.435593
417.9521 6.158022
418.4343 5.368496
418.9164 4.710529
419.3985 4.342808
419.8806 4.216972
420.3627 4.314846
420.8448 4.626976
421.3270 5.022112
421.8091 5.313690
422.2912 5.490612
422.7733 5.566044
423.2554 5.500416
423.7375 5.373222
424.2197 5.211445
424.7018 5.032858
425.1839 4.849142
425.6660 4.643440
426.1481 4.429211
426.6302 4.423445
427.1124 5.018980
427.5945 5.347689
428.0766 5.043835
428.5587 4.559111
429.0408 4.375134
429.5229 4.628462
430.0051 5.063398
430.4872 5.407312
430.9693 5.755857
431.4514 5.613642
431.9335 4.176159
432.4156 2.940615
432.8978 2.638536
433.3799 3.026625
433.8620 3.414980
434.3441 3.343658
434.8262 3.012238
435.3083 3.049633
435.7905 3.641396
436.2726 4.083754
436.7547 3.922127
437.2368 3.607195
437.7189 3.563269
438.2010 3.883194
438.6832 4.242575
439.1653 4.427574
439.6474 4.433712
440.1295 4.166813
440.6116 3.430042
441.0938 2.770098
441.5759 2.848761
442.0580 3.418976
442.5401 3.718124
443.0222 3.378738
443.5043 2.783039
443.9865 2.157839
444.4686 1.549578
444.9507 1.351147
445.4328 1.887575
445.9149 2.785854
446.3970 3.160656
446.8792 2.843435
447.3613 2.598528
447.8434 2.796968
448.3255 3.105690
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