#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:36:28 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1186 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000602.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_1000602
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 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            R120099.rod
_rod_data_source.block           3500000
_rod_database.code               1000602
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
92.56775 0.0000000E+00
93.04987 1.192139
93.53198 8.297913
94.01410 14.83093
94.49622 16.14728
94.97833 15.44354
95.46045 15.39148
95.94257 15.32800
96.42468 18.31268
96.90680 24.06671
97.38892 33.05762
97.87103 45.82611
98.35315 60.59503
98.83527 75.88104
99.31738 93.20801
99.79950 112.7113
100.2816 135.1243
100.7637 159.3872
101.2458 186.0555
101.7280 215.5078
102.2101 248.0249
102.6922 283.0135
103.1743 320.4310
103.6564 359.7424
104.1385 401.3018
104.6207 446.5654
105.1028 495.1768
105.5849 545.9922
106.0670 599.7610
106.5491 651.6945
107.0313 699.1871
107.5134 742.8798
107.9955 779.0670
108.4776 804.5727
108.9597 819.7705
109.4418 822.2205
109.9240 808.3591
110.4061 783.9478
110.8882 751.4262
111.3703 711.4874
111.8524 665.6486
112.3345 617.4714
112.8167 562.3270
113.2988 511.2906
113.7809 466.2471
114.2630 426.0721
114.7451 389.0630
115.2272 356.3289
115.7094 332.6772
116.1915 323.1627
116.6736 325.7957
117.1557 332.1824
117.6378 338.2625
118.1199 342.3365
118.6021 344.3864
119.0842 344.8876
119.5663 344.5909
120.0484 344.7863
120.5305 348.4245
121.0126 354.0160
121.4948 359.7450
121.9769 365.2634
122.4590 372.2322
122.9411 382.9545
123.4232 396.6141
123.9053 411.5599
124.3875 427.3223
124.8696 443.9673
125.3517 461.6044
125.8338 480.5916
126.3159 500.2924
126.7980 521.1117
127.2802 542.5957
127.7623 562.4518
128.2444 579.8658
128.7265 595.0460
129.2086 604.8040
129.6907 610.5600
130.1729 609.0944
130.6550 598.5806
131.1371 578.6927
131.6192 549.9923
132.1013 512.4725
132.5834 460.8978
133.0656 409.5891
133.5477 357.5394
134.0298 306.6924
134.5119 258.1832
134.9940 212.8293
135.4761 170.4001
135.9583 131.7368
136.4404 96.98328
136.9225 66.21661
137.4046 40.37872
137.8867 18.47522
138.3688 0.2691650
138.8510 16.28949
139.3331 29.50909
139.8152 39.50769
140.2973 46.35730
140.7794 50.98895
141.2615 53.60596
141.7437 54.25214
142.2258 53.14893
142.7079 50.21027
143.1900 45.41882
143.6721 39.34625
144.1542 31.86047
144.6364 23.30591
145.1185 14.17535
145.6006 4.618164
146.0827 6.300903
146.5648 19.73859
147.0469 34.68628
147.5291 50.32520
148.0112 66.24683
148.4933 82.88257
148.9754 101.1722
149.4575 121.6322
149.9396 143.3250
150.4218 167.2755
150.9039 192.1953
151.3860 218.3719
151.8681 246.2533
152.3502 275.5889
152.8323 302.8619
153.3145 328.1787
153.7966 350.9358
154.2787 372.9744
154.7608 392.4276
155.2429 406.1198
155.7250 411.4761
156.2072 408.1636
156.6893 400.1150
157.1714 385.6889
157.6535 369.0627
158.1356 350.5625
158.6177 330.9617
159.0999 311.9027
159.5820 294.7563
160.0641 279.6968
160.5462 267.1123
161.0283 256.7191
161.5104 248.8538
161.9926 244.3636
162.4747 243.3162
162.9568 243.9084
163.4389 244.6417
163.9210 245.5110
164.4031 246.4784
164.8853 249.4343
165.3674 251.9421
165.8495 250.3032
166.3316 243.6031
166.8137 233.6180
167.2958 221.2792
167.7780 207.0321
168.2601 192.1792
168.7422 177.3944
169.2243 162.5116
169.7064 146.9600
170.1885 129.6618
170.6707 113.1075
171.1528 98.64771
171.6349 86.14417
172.1170 74.76056
172.5991 64.03857
173.0812 53.98300
173.5634 44.15341
174.0455 34.01663
174.5276 24.44760
175.0097 15.67075
175.4918 7.798767
175.9739 1.072266
176.4561 4.160736
176.9382 7.786377
177.4203 10.18051
177.9024 11.69412
178.3845 11.87384
178.8666 10.29251
179.3488 6.983643
179.8309 2.340088
180.3130 3.085876
180.7951 9.283234
181.2772 16.49954
181.7593 24.89182
182.2415 34.02081
182.7236 43.51239
183.2057 53.28870
183.6878 63.55435
184.1699 74.65973
184.6520 87.14386
185.1342 99.50858
185.6163 111.3062
186.0984 123.1273
186.5805 135.5291
187.0626 148.6680
187.5447 162.5136
188.0269 176.9354
188.5090 191.5609
188.9911 207.9144
189.4732 226.4727
189.9553 246.9620
190.4374 268.7728
190.9196 292.0638
191.4017 316.4466
191.8838 341.3245
192.3659 366.3080
192.8480 393.1502
193.3301 422.7791
193.8123 454.9291
194.2944 488.8647
194.7765 524.6757
195.2586 561.7021
195.7407 598.9375
196.2228 635.9454
196.7050 672.4417
197.1871 708.8974
197.6692 745.4440
198.1513 780.7390
198.6334 815.4928
199.1155 848.1798
199.5977 879.2880
200.0798 908.6561
200.5619 933.0575
201.0440 951.0454
201.5261 963.6205
202.0082 964.1634
202.4904 948.1183
202.9725 921.8409
203.4546 885.6818
203.9367 840.5915
204.4188 789.6321
204.9009 734.9504
205.3831 673.1954
205.8652 617.9990
206.3473 570.0521
206.8294 527.8136
207.3115 491.1204
207.7936 459.8556
208.2758 433.5754
208.7579 411.9180
209.2400 394.9455
209.7221 383.4966
210.2042 377.7692
210.6863 376.2971
211.1685 378.2991
211.6506 383.5175
212.1327 391.8672
212.6148 403.3577
213.0969 418.5549
213.5790 436.3489
214.0612 456.5172
214.5433 479.0797
215.0254 504.4740
215.5075 532.5822
215.9896 563.0955
216.4717 595.3823
216.9539 630.0695
217.4360 665.9369
217.9181 702.1605
218.4002 740.0164
218.8823 781.5706
219.3644 827.2323
219.8466 874.8855
220.3287 921.8198
220.8108 968.1975
221.2929 1014.303
221.7750 1062.685
222.2571 1109.874
222.7393 1152.614
223.2214 1190.601
223.7035 1221.748
224.1856 1243.293
224.6677 1256.338
225.1498 1257.130
225.6320 1243.245
226.1141 1216.797
226.5962 1180.048
227.0783 1131.928
227.5604 1077.220
228.0425 1017.511
228.5247 954.3925
229.0068 892.4334
229.4889 832.7979
229.9710 776.1090
230.4531 723.1343
230.9352 673.9501
231.4174 629.3884
231.8995 590.6327
232.3816 556.6789
232.8637 525.5137
233.3458 496.2626
233.8279 469.0246
234.3101 443.5535
234.7922 420.3527
235.2743 398.9724
235.7564 379.0596
236.2385 360.5954
236.7206 343.4009
237.2028 327.5698
237.6849 313.1477
238.1670 299.6350
238.6491 286.7784
239.1312 275.2264
239.6133 264.8180
240.0955 255.6481
240.5776 247.6764
241.0597 240.8571
241.5418 235.2182
242.0239 231.3565
242.5060 230.1174
242.9882 229.6812
243.4703 229.1752
243.9524 229.0792
244.4345 230.1772
244.9166 233.0183
245.3987 237.2840
245.8809 241.4014
246.3630 244.6103
246.8451 248.7322
247.3272 254.1896
247.8093 260.6929
248.2914 267.7759
248.7736 275.1673
249.2557 283.0637
249.7378 292.0927
250.2199 300.8714
250.7020 312.9712
251.1841 329.7222
251.6663 349.5857
252.1484 370.8024
252.6305 392.6474
253.1126 415.0362
253.5947 438.2231
254.0768 460.4508
254.5590 485.7422
255.0411 514.7475
255.5232 546.7455
256.0053 581.3703
256.4874 618.3519
256.9695 657.4078
257.4517 697.7626
257.9338 739.6340
258.4159 783.0151
258.8980 830.2635
259.3801 878.0823
259.8622 925.1026
260.3444 970.6258
260.8265 1011.596
261.3086 1042.307
261.7907 1062.429
262.2728 1070.422
262.7549 1065.884
263.2371 1049.397
263.7192 1019.788
264.2013 976.9888
264.6834 925.4874
265.1655 871.0408
265.6476 811.0661
266.1298 755.2489
266.6119 703.6115
267.0940 655.9775
267.5761 612.5699
268.0582 573.2004
268.5403 537.7663
269.0225 506.3965
269.5046 480.0111
269.9867 454.9930
270.4688 431.8248
270.9509 409.6957
271.4330 388.0952
271.9152 366.9703
272.3973 346.0032
272.8794 325.0513
273.3615 304.0260
273.8436 283.1113
274.3257 261.9586
274.8079 240.9440
275.2900 220.4207
275.7721 200.3582
276.2542 181.1878
276.7363 163.0634
277.2184 146.2389
277.7006 130.2124
278.1827 114.8708
278.6648 100.5372
279.1469 87.56964
279.6290 75.97772
280.1111 65.45819
280.5933 55.76706
281.0754 47.19226
281.5575 39.98752
282.0396 34.70767
282.5217 30.14447
283.0038 25.35248
283.4860 20.51950
283.9681 16.64340
284.4502 14.36203
284.9323 13.28400
285.4144 12.27011
285.8965 11.06274
286.3787 10.47910
286.8608 11.03186
287.3429 12.57724
287.8250 14.74393
288.3071 17.77377
288.7892 20.90842
289.2714 23.06021
289.7535 24.19843
290.2356 24.95300
290.7177 25.44467
291.1998 25.77765
291.6819 26.29831
292.1641 27.27341
292.6462 28.04669
293.1283 27.69119
293.6104 26.36386
294.0925 25.18192
294.5746 24.80225
295.0568 24.80600
295.5389 24.24197
296.0210 22.77133
296.5031 21.49579
296.9852 21.52542
297.4673 22.50354
297.9495 23.59790
298.4316 24.24597
298.9137 24.98230
299.3958 26.65079
299.8779 29.35812
300.3600 32.58728
300.8422 36.01215
301.3243 39.74185
301.8064 44.00916
302.2885 48.91492
302.7706 54.36246
303.2527 60.29463
303.7349 66.73933
304.2170 73.53404
304.6991 80.92664
305.1812 88.47705
305.6633 95.57077
306.1454 102.0435
306.6276 108.2453
307.1097 114.7181
307.5918 121.3926
308.0739 127.1871
308.5560 131.6265
309.0381 134.9760
309.5203 138.0058
310.0024 140.8542
310.4845 142.1409
310.9666 140.7543
311.4487 136.9433
311.9308 131.8603
312.4130 125.5476
312.8951 118.2105
313.3772 110.0611
313.8593 101.1576
314.3414 92.09128
314.8235 82.67181
315.3057 73.30428
315.7878 65.05606
316.2699 58.43980
316.7520 52.05553
317.2341 44.41803
317.7162 36.23647
318.1984 29.09946
318.6805 24.00285
319.1626 20.12732
319.6447 16.19615
320.1268 12.13757
320.6089 8.415604
321.0911 5.492371
321.5732 2.997284
322.0553 0.4250490
322.5374 2.517487
323.0195 5.286789
323.5016 7.262451
323.9838 8.463425
324.4659 9.319427
324.9480 9.740356
325.4301 10.05597
325.9122 10.69632
326.3943 11.77547
326.8765 12.80464
327.3586 13.53128
327.8407 13.95088
328.3228 13.87903
328.8049 12.90408
329.2870 11.94771
329.7692 12.11575
330.2513 13.29645
330.7334 14.27513
331.2155 14.39900
331.6976 13.90094
332.1797 13.25819
332.6619 12.45580
333.1440 11.69930
333.6261 11.29065
334.1082 11.06627
334.5903 10.62744
335.0724 9.720276
335.5546 8.597488
336.0367 7.489655
336.5188 6.376358
337.0009 5.549042
337.4830 5.427277
337.9651 5.627235
338.4473 5.391273
338.9294 4.399681
339.4115 3.335625
339.8936 2.852631
340.3757 2.856232
340.8578 2.576202
341.3400 1.548027
341.8221 0.2908250
342.3042 0.3559720
342.7863 0.2876360
343.2684 0.2301180
343.7505 0.4708250
344.2327 0.9836880
344.7148 1.763611
345.1969 2.881355
345.6790 4.085854
346.1611 5.089920
346.6432 5.920441
347.1254 6.697609
347.6075 7.488121
348.0896 8.225533
348.5717 8.787704
349.0538 9.155029
349.5359 9.547653
350.0181 10.19236
350.5002 11.00613
350.9823 11.60098
351.4644 11.52839
351.9465 11.59038
352.4286 12.56654
352.9108 14.25207
353.3929 15.60029
353.8750 15.97810
354.3571 15.82565
354.8392 16.27050
355.3214 17.52096
355.8035 18.79522
356.2856 19.95086
356.7677 20.91647
357.2498 21.50116
357.7319 21.61320
358.2141 21.54028
358.6962 21.63018
359.1783 21.87936
359.6604 22.30922
360.1425 22.96143
360.6246 23.76839
361.1068 24.68642
361.5889 25.70538
362.0710 26.82140
362.5531 28.09813
363.0352 29.51822
363.5173 30.53922
363.9995 30.88007
364.4816 31.13611
364.9637 31.53915
365.4458 32.08141
365.9279 32.72277
366.4100 33.45380
366.8922 34.24340
367.3743 34.99068
367.8564 35.64375
368.3385 36.32709
368.8206 37.13317
369.3027 37.94554
369.7849 38.58475
370.2670 39.01029
370.7491 39.39783
371.2312 39.99287
371.7133 40.86686
372.1954 41.76604
372.6776 43.02562
373.1597 44.03802
373.6418 44.15243
374.1239 43.57600
374.6060 43.19705
375.0881 43.75954
375.5703 45.23027
376.0524 46.36908
376.5345 47.18972
377.0166 47.67873
377.4987 47.60520
377.9808 47.25362
378.4630 47.00534
378.9451 47.03414
379.4272 47.25662
379.9093 47.51015
380.3914 47.81045
380.8735 47.94080
381.3557 47.83975
381.8378 47.64250
382.3199 47.45323
382.8020 47.29712
383.2841 47.11475
383.7662 46.80682
384.2484 46.33068
384.7305 45.77101
385.2126 45.03157
385.6947 44.36454
386.1768 43.93114
386.6589 43.71707
387.1411 43.62258
387.6232 43.57774
388.1053 43.38268
388.5874 42.47451
389.0695 40.40070
389.5516 38.66782
390.0338 37.97103
390.5159 37.54271
390.9980 36.60545
391.4801 34.93226
391.9622 33.04606
392.4443 31.53584
392.9265 30.43356
393.4086 29.77600
393.8907 30.00461
394.3728 30.28371
394.8549 30.10184
395.3370 29.47758
395.8192 28.71370
396.3013 28.05889
396.7834 27.49648
397.2655 26.77988
397.7476 25.77016
398.2297 24.80900
398.7119 24.14913
399.1940 23.70661
399.6761 23.34016
400.1582 22.95618
400.6403 22.59118
401.1224 22.46284
401.6046 22.55658
402.0867 22.25442
402.5688 21.11401
403.0509 19.82212
403.5330 19.18913
404.0151 19.20606
404.4973 19.35764
404.9794 19.49276
405.4615 19.59440
405.9436 19.70013
406.4257 19.84176
406.9078 19.68922
407.3900 18.72453
407.8721 17.18538
408.3542 16.27029
408.8363 16.64042
409.3184 17.11093
409.8005 16.82990
410.2827 16.02107
410.7648 15.43140
411.2469 15.40482
411.7290 15.68358
412.2111 15.69323
412.6932 15.27766
413.1754 15.05219
413.6575 15.32034
414.1396 15.71459
414.6217 15.85651
415.1038 15.68022
415.5859 15.32443
416.0681 14.89436
416.5502 14.37016
417.0323 14.03196
417.5144 13.88000
417.9965 13.87959
418.4786 14.25988
418.9608 14.75599
419.4429 14.82271
419.9250 14.15952
420.4071 13.06411
420.8892 12.36387
421.3713 12.37284
421.8535 12.32526
422.3356 12.21655
422.8177 12.03406
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