#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:47:30 +0300 (Thu, 07 Jun 2018) $
#$Revision: 969 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000429.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_1000429
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        R120099
_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 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            R120099.rod
_rod_data_source.block           3500000
_rod_database.code               1000429
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
182.5765 0.9801640
183.0586 1.451157
183.5407 5.324554
184.0228 9.525604
184.5049 13.80246
184.9871 18.21957
185.4692 22.39615
185.9513 26.49936
186.4334 31.21725
186.9155 37.19824
187.3976 44.07849
187.8798 50.91772
188.3619 57.62250
188.8440 64.26791
189.3261 70.55112
189.8082 76.58600
190.2903 83.02060
190.7725 90.05798
191.2546 97.82117
191.7367 106.2437
192.2188 115.3105
192.7009 125.0992
193.1830 135.5584
193.6652 146.6224
194.1473 158.3339
194.6294 170.5151
195.1115 183.1830
195.5936 196.7378
196.0757 211.2812
196.5579 226.5427
197.0400 242.2836
197.5221 258.5836
198.0042 274.4581
198.4863 290.1350
198.9684 305.5786
199.4506 318.4610
199.9327 328.5452
200.4148 335.9777
200.8969 341.6072
201.3790 346.0754
201.8611 345.8580
202.3433 338.0925
202.8254 322.3098
203.3075 304.8076
203.7896 286.0188
204.2717 266.0121
204.7538 244.3823
205.2360 220.2542
205.7181 197.6356
206.2002 178.9889
206.6823 164.6279
207.1644 152.0007
207.6465 140.8172
208.1287 131.2747
208.6108 123.8199
209.0929 118.6890
209.5750 114.9203
210.0571 111.9515
210.5392 109.6987
211.0214 108.5284
211.5035 108.4409
211.9856 109.4678
212.4677 111.8920
212.9498 116.0903
213.4319 120.8860
213.9140 125.4923
214.3962 129.5753
214.8783 134.7606
215.3604 141.3197
215.8425 149.0638
216.3246 156.9218
216.8067 164.8474
217.2889 173.1022
217.7710 181.6942
218.2531 190.1339
218.7352 200.6049
219.2173 214.2118
219.6994 230.1502
220.1816 243.7054
220.6637 253.9343
221.1458 263.7678
221.6279 275.4773
222.1100 291.3047
222.5921 303.3023
223.0743 310.5522
223.5564 313.5258
224.0385 314.8018
224.5206 315.1130
225.0027 312.6450
225.4848 305.9658
225.9670 293.8164
226.4491 280.6558
226.9312 266.5986
227.4133 251.7966
227.8954 236.0031
228.3775 218.8047
228.8597 201.6723
229.3418 185.5753
229.8239 170.3504
230.3060 156.5817
230.7881 144.5233
231.2702 133.9596
231.7524 124.4446
232.2345 116.1924
232.7166 108.8735
233.1987 102.4894
233.6808 97.71524
234.1629 92.54160
234.6451 86.26471
235.1272 79.37234
235.6093 74.01385
236.0914 71.16138
236.5735 68.50790
237.0556 64.62775
237.5378 58.44922
238.0199 53.39584
238.5020 48.93655
238.9841 45.73267
239.4662 43.23950
239.9483 41.66943
240.4305 40.60104
240.9126 39.77734
241.3947 39.12491
241.8768 38.83722
242.3589 38.93494
242.8410 39.39636
243.3232 40.15582
243.8053 41.15182
244.2874 42.51917
244.7695 44.26074
245.2516 46.18768
245.7337 48.92545
246.2159 52.71469
246.6980 57.29926
247.1801 61.78067
247.6622 66.03418
248.1443 70.41754
248.6264 75.07605
249.1086 80.17172
249.5907 85.16254
250.0728 89.77682
250.5549 94.35590
251.0370 99.84564
251.5191 106.5777
252.0013 113.7236
252.4834 120.9204
252.9655 127.7166
253.4476 135.5791
253.9297 144.6512
254.4118 154.7126
254.8940 165.5358
255.3761 177.3078
255.8582 189.5587
256.3403 202.0074
256.8224 214.5084
257.3046 227.6291
257.7867 241.6898
258.2688 256.0233
258.7509 269.2825
259.2330 281.1714
259.7151 292.3234
260.1973 303.5843
260.6794 315.7363
261.1615 323.7696
261.6436 327.7136
262.1257 327.4838
262.6078 322.5557
263.0900 312.2405
263.5721 298.9954
264.0542 283.1774
264.5363 264.0512
265.0184 246.2907
265.5005 229.5532
265.9827 214.0963
266.4648 199.9314
266.9469 187.0983
267.4290 175.7772
267.9111 166.2071
268.3932 158.5418
268.8754 151.1160
269.3575 143.7372
269.8396 136.6585
270.3217 130.5976
270.8038 126.0114
271.2859 120.7342
271.7681 114.0283
272.2502 105.9742
272.7323 98.03903
273.2144 90.22458
273.6965 82.77023
274.1786 76.11566
274.6608 70.32892
275.1429 64.55603
275.6250 58.40469
276.1071 52.05936
276.5892 46.68359
277.0714 42.70367
277.5535 38.98325
278.0356 34.20929
278.5177 28.18161
278.9998 22.97382
279.4819 19.17172
279.9641 16.47610
280.4462 13.89575
280.9283 11.38730
281.4104 8.948730
281.8925 6.528198
282.3746 4.140442
282.8568 1.845642
283.3389 0.5676570
283.8210 2.722260
284.3031 3.206604
284.7852 1.829315
285.2673 0.3907170
285.7495 0.3029480
286.2316 1.434418
286.7137 2.333740
287.1958 2.918213
287.6779 3.065155
288.1600 2.282318
288.6422 0.5671080
289.1243 1.077850
289.6064 1.906799
290.0885 2.072449
290.5706 2.301575
291.0527 2.624115
291.5349 3.152039
292.0170 4.340118
292.4991 6.096588
292.9812 7.408539
293.4633 7.243896
293.9454 6.149231
294.4276 6.026398
294.9097 7.152435
295.3918 8.544800
295.8739 8.762268
296.3560 8.068329
296.8381 7.673065
297.3203 8.234558
297.8024 9.502563
298.2845 11.13718
298.7666 13.19296
299.2487 15.10300
299.7308 15.90012
300.2130 16.04050
300.6951 16.84537
301.1772 19.33463
301.6593 22.53082
302.1414 24.94870
302.6235 26.59299
303.1057 28.32147
303.5878 30.97769
304.0699 34.19995
304.5520 37.27734
305.0341 39.89325
305.5162 42.34763
305.9984 45.10580
306.4805 48.07858
306.9626 50.78412
307.4447 53.03015
307.9268 54.73993
308.4089 55.73749
308.8911 55.81384
309.3732 55.45670
309.8553 55.12851
310.3374 54.72256
310.8195 53.83734
311.3016 52.21713
311.7838 50.05560
312.2659 47.47360
312.7480 44.43024
313.2301 41.12125
313.7122 37.47745
314.1943 33.60529
314.6765 29.82162
315.1586 25.89059
315.6407 22.35196
316.1228 19.69455
316.6049 18.27542
317.0870 16.61050
317.5692 13.76569
318.0513 10.36472
318.5334 7.304962
319.0155 4.609680
319.4976 2.523895
319.9797 1.448975
320.4619 1.510376
320.9440 1.271484
321.4261 0.1730040
321.9082 1.897705
322.3903 3.017426
322.8724 2.895447
323.3546 2.608765
323.8367 2.174744
324.3188 1.635254
324.8009 1.788544
325.2830 3.603790
325.7651 5.625366
326.2473 6.902069
326.7294 6.639496
327.2115 6.434738
327.6936 6.458237
328.1757 6.654449
328.6578 6.789139
329.1400 6.933517
329.6221 6.948074
330.1042 6.770767
330.5863 6.290741
331.0684 5.787872
331.5505 5.315292
332.0327 4.818100
332.5148 4.122025
332.9969 2.848724
333.4790 1.913345
333.9611 1.744003
334.4432 2.655029
334.9254 3.050659
335.4075 2.707230
335.8896 2.050507
336.3717 1.710205
336.8538 1.937439
337.3359 1.863251
337.8180 1.086609
338.3001 0.3742220
338.7823 1.230591
339.2644 1.323776
339.7465 1.136017
340.2286 1.079742
340.7107 1.157272
341.1928 1.442749
341.6750 2.091202
342.1571 2.920395
342.6392 3.080627
343.1213 2.468018
343.6034 1.707779
344.0855 1.186249
344.5677 0.9039150
345.0498 0.7335360
345.5319 0.6282810
346.0140 0.7285460
346.4961 1.398193
346.9782 2.598343
347.4604 3.790344
347.9425 4.819839
348.4246 5.626816
348.9067 5.792755
349.3888 5.175629
349.8709 4.510406
350.3531 4.821609
350.8352 5.882309
351.3173 6.849991
351.7994 7.289948
352.2815 7.439011
352.7636 7.571136
353.2458 7.679749
353.7279 8.045227
354.2100 9.332870
354.6921 10.98297
355.1742 11.99216
355.6563 11.68584
356.1385 11.00891
356.6206 10.86607
357.1027 11.15721
357.5848 11.39775
358.0669 11.05659
358.5490 10.64754
359.0312 10.70801
359.5133 11.52654
359.9954 12.40585
360.4775 12.90016
360.9596 13.16679
361.4417 13.53166
361.9239 14.37109
362.4060 15.16983
362.8881 15.65703
363.3702 15.79164
363.8523 15.68396
364.3344 14.84123
364.8166 13.95125
365.2987 13.80255
365.7808 15.36981
366.2629 16.91711
366.7450 18.02184
367.2271 18.67082
367.7093 19.11488
368.1914 19.53816
368.6735 19.66423
369.1556 19.29878
369.6377 17.47548
370.1198 16.38290
370.6020 16.44035
371.0841 17.33159
371.5662 17.89439
372.0483 17.69243
372.5304 17.68602
373.0125 18.38483
373.4947 20.27483
373.9768 21.44121
374.4589 21.77171
374.9410 21.48505
375.4231 20.77629
375.9052 19.31735
376.3874 18.36728
376.8695 18.44238
377.3516 19.51631
377.8337 20.40616
378.3158 21.15599
378.7979 21.66295
379.2801 21.71719
379.7622 21.25163
380.2443 20.74664
380.7264 20.29997
381.2085 19.97203
381.6906 19.90871
382.1728 20.10703
382.6549 20.44359
383.1370 20.86159
383.6191 21.27902
384.1012 21.48155
384.5833 21.53026
385.0655 21.43269
385.5476 21.10168
386.0297 20.58751
386.5118 20.12045
386.9939 20.10936
387.4760 20.09543
387.9582 19.19542
388.4403 17.40352
388.9224 15.78537
389.4045 15.21336
389.8866 15.35580
390.3687 15.81181
390.8509 17.01428
391.3330 17.92096
391.8151 17.39496
392.2972 15.72394
392.7793 14.37750
393.2614 14.25211
393.7436 14.69759
394.2257 15.31152
394.7078 16.18152
395.1899 16.70706
395.6720 16.56335
396.1541 16.04657
396.6363 15.52328
397.1184 14.94502
397.6005 14.41077
398.0826 13.98106
398.5647 13.67767
399.0468 13.38895
399.5290 13.14207
400.0111 12.92293
400.4932 12.67377
400.9753 12.14392
401.4574 11.84325
401.9395 12.05724
402.4217 12.61127
402.9038 12.52724
403.3859 11.22903
403.8680 10.16168
404.3501 10.20612
404.8322 11.90039
405.3144 12.84056
405.7965 12.73172
406.2786 12.16544
406.7607 12.14172
407.2428 12.77158
407.7249 13.21780
408.2071 13.23784
408.6892 12.89534
409.1713 12.10832
409.6534 10.72896
410.1355 9.640060
410.6176 9.804291
411.0998 11.03683
411.5819 12.37730
412.0640 13.83922
412.5461 15.04868
413.0282 15.31270
413.5103 14.70009
413.9925 13.75760
414.4746 12.50528
414.9567 11.23724
415.4388 10.38344
415.9209 9.959778
416.4030 9.937698
416.8852 10.77928
417.3673 11.95361
417.8494 12.57498
418.3315 12.02484
418.8136 11.04173
419.2957 9.913254
419.7779 8.703690
420.2600 7.702744
420.7421 6.988846
421.2242 6.569931
421.7063 6.490433
422.1884 6.909134
422.6706 7.350250
423.1527 7.560883
423.6348 7.776184
424.1169 8.368591
424.5990 10.39154
425.0811 11.84009
425.5633 11.78461
426.0454 9.896957
426.5275 8.875290
427.0096 9.321930
427.4917 10.12740
427.9738 10.39548
428.4560 9.940704
428.9381 9.351852
429.4202 8.547211
429.9023 7.667679
430.3844 7.275757
430.8665 7.555695
431.3487 7.838470
431.8308 7.758026
432.3129 7.294769
432.7950 6.735687
433.2771 5.980377
433.7592 5.408539
434.2414 5.838623
434.7235 7.161316
435.2056 7.886719
435.6877 7.277863
436.1698 5.965332
436.6519 5.326172
437.1341 5.323792
437.6162 5.318512
438.0983 4.640015
438.5804 3.693787
439.0625 3.239532
439.5446 3.511719
440.0268 3.926514
440.5089 3.731506
440.9910 3.304016
441.4731 3.406647
441.9552 4.966187
442.4373 6.702637
442.9195 7.943939
443.4016 8.652344
443.8837 8.802551
444.3658 7.966064
444.8479 6.802887
445.3300 5.803436
445.8122 4.863495
446.2943 4.351166
446.7764 4.371613
447.2585 4.862976
447.7406 5.661835
448.2227 7.855652
448.7049 9.252625
449.1870 8.956543
449.6691 6.570404
450.1512 4.954498
450.6333 4.361786
451.1154 4.271484
451.5976 4.219543
452.0797 4.189331
452.5618 4.276001
453.0439 4.579590
453.5260 4.968079
454.0081 4.997040
454.4903 4.614899
454.9724 4.216827
455.4545 4.118378
455.9366 4.243073
456.4187 3.921143
456.9008 3.037811
457.3830 2.217499
457.8651 2.359100
458.3472 3.199066
458.8293 3.875061
459.3114 4.061737
459.7935 4.077667
460.2757 4.332825
460.7578 4.741577
461.2399 5.021027
461.7220 5.016144
462.2041 4.871643
462.6862 4.813293
463.1684 4.990967
463.6505 4.757477
464.1326 2.951294
464.6147 0.8405150
465.0968 5.3344999E-02
465.5789 3.036041
466.0611 5.405914
466.5432 5.423126
467.0253 3.310944
467.5074 1.889282
467.9895 2.058624
468.4716 2.533081
468.9538 2.724640
469.4359 2.531097
469.9180 2.239960
470.4001 1.757751
470.8822 1.235016
471.3643 0.8597410
471.8465 0.5677490
472.3286 0.6264340
472.8107 1.260223
473.2928 2.305603
473.7749 2.851776
474.2570 2.837585
474.7392 2.622162
475.2213 2.418854
475.7034 2.227142
476.1855 2.042358
476.6676 1.838806
477.1497 1.736237
477.6319 1.913330
478.1140 2.327667
478.5961 2.836731
479.0782 3.804688
479.5603 4.580536
480.0424 3.991333
480.5246 2.220825
481.0067 0.9453130
481.4888 2.040527
481.9709 3.654541
482.4530 3.950073
482.9352 1.839172
483.4173 0.2247010
483.8994 0.8680730
484.3815 2.591248
484.8636 3.592163
485.3457 2.719147
485.8279 1.845276
486.3100 1.494080
486.7921 1.680817
487.2742 1.797668
487.7563 1.805389
488.2384 1.727905
488.7206 1.591370
489.2027 1.281860
489.6848 1.267426
490.1669 1.698547
490.6490 2.272522
491.1311 2.538574
491.6133 2.481506
492.0954 2.187653
492.5775 1.552460
493.0596 0.7287900
493.5417 0.2289730
494.0238 4.2266998E-02
494.5060 0.2763670
494.9881 1.525635
495.4702 3.223633
495.9523 3.800201
496.4344 2.835999
496.9165 1.688507
497.3987 1.940582
497.8808 2.964264
498.3629 3.564331
498.8450 2.630707
499.3271 1.636230
499.8092 1.870239
500.2914 3.054688
500.7735 3.603394
501.2556 2.007843
501.7377 0.2599490
502.2198 0.3724370
502.7019 0.8063660
503.1841 1.720947
503.6662 1.615173
504.1483 1.255249
504.6304 1.603668
505.1125 3.789215
505.5946 4.803223
506.0768 3.716095
506.5589 1.037933
507.0410 0.5417180
507.5231 0.7775570
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