#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:09 +0300 (Thu, 24 May 2018) $
#$Revision: 783 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000280.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_1000280
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 Die kristallstruktur des minerals paralstonite, BaCa(CO3)2 Locality:
 Cave-in-Rock District, Illinois, USA
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              353
_journal_page_last               363
_journal_volume                  1980
_journal_year                    1980
_chemical_compound_source        R090049
_chemical_formula_sum            'C2 Ba Ca O6'
_chemical_name_mineral           Paralstonite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.692
_cell_length_b                   8.692
_cell_length_c                   6.148
_cell_volume                     402.257
_exptl_crystal_density_diffrn    3.683
_cod_original_formula_sum        'Ba Ca C2 O6'
_cod_database_code               9009294
_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            R090049.rod
_rod_data_source.block           3500000
_rod_database.code               1000280
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 9009294 COD http://www.crystallography.net/cod/9009294.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
122.5655 0.0000000E+00
123.0476 12.75464
123.5298 6.871094
124.0119 2.589355
124.4940 17.95862
124.9761 48.41919
125.4582 86.07629
125.9404 126.9398
126.4225 164.9735
126.9046 193.8994
127.3867 218.0310
127.8688 243.1602
128.3509 268.4022
128.8331 297.2836
129.3152 331.6576
129.7973 372.2189
130.2794 421.8103
130.7615 479.9948
131.2436 547.7440
131.7258 628.6573
132.2079 723.5623
132.6900 828.9679
133.1721 940.7222
133.6542 1058.231
134.1364 1181.280
134.6185 1311.590
135.1006 1449.593
135.5827 1589.818
136.0648 1732.806
136.5469 1878.125
137.0291 2026.799
137.5112 2179.276
137.9933 2328.720
138.4754 2474.506
138.9575 2616.636
139.4396 2747.400
139.9218 2866.509
140.4039 2972.888
140.8860 3058.550
141.3681 3121.824
141.8502 3165.988
142.3323 3190.904
142.8145 3193.178
143.2966 3185.703
143.7787 3168.079
144.2608 3140.333
144.7429 3114.145
145.2250 3089.317
145.7072 3065.896
146.1893 3044.046
146.6714 3025.635
147.1535 3006.629
147.6356 2988.412
148.1178 2972.776
148.5999 2946.848
149.0820 2917.816
149.5641 2875.078
150.0462 2806.344
150.5283 2695.026
151.0105 2575.208
151.4926 2413.280
151.9747 2244.550
152.4568 2085.198
152.9389 1934.164
153.4210 1793.947
153.9032 1665.556
154.3853 1548.151
154.8674 1445.237
155.3495 1358.593
155.8316 1288.750
156.3137 1230.221
156.7959 1182.999
157.2780 1145.886
157.7601 1117.002
158.2422 1097.064
158.7243 1083.621
159.2065 1075.128
159.6886 1071.039
160.1707 1072.014
160.6528 1078.889
161.1349 1090.884
161.6170 1106.104
162.0992 1125.612
162.5813 1146.990
163.0634 1168.655
163.5455 1190.041
164.0276 1211.915
164.5097 1235.885
164.9919 1261.065
165.4740 1283.981
165.9561 1301.558
166.4382 1316.751
166.9203 1332.402
167.4024 1349.883
167.8846 1367.472
168.3667 1384.207
168.8488 1400.193
169.3309 1416.051
169.8130 1438.927
170.2952 1462.685
170.7773 1477.462
171.2594 1480.630
171.7415 1472.934
172.2236 1453.820
172.7057 1422.881
173.1879 1381.465
173.6700 1324.053
174.1521 1255.594
174.6342 1184.745
175.1163 1110.243
175.5984 1035.010
176.0806 962.0333
176.5627 891.7949
177.0448 829.1764
177.5269 779.0615
178.0090 739.3828
178.4911 703.7720
178.9733 669.7959
179.4554 638.6660
179.9375 612.0063
180.4196 585.3733
180.9017 562.5415
181.3838 544.3289
181.8660 529.8556
182.3481 514.6936
182.8302 496.5791
183.3123 476.4962
183.7944 456.5098
184.2766 436.3608
184.7587 416.9319
185.2408 399.1805
185.7229 383.0520
186.2050 367.0854
186.6871 348.8707
187.1693 329.8373
187.6514 316.9719
188.1335 310.8444
188.6156 308.7772
189.0977 307.2646
189.5798 306.3075
190.0620 306.1331
190.5441 306.7310
191.0262 308.0981
191.5083 310.4987
191.9904 314.0493
192.4725 318.2452
192.9547 322.9832
193.4368 328.3474
193.9189 331.9232
194.4010 332.3795
194.8831 329.8060
195.3652 325.7511
195.8474 321.0234
196.3295 313.7947
196.8116 299.7731
197.2937 278.6633
197.7758 254.5869
198.2579 229.5946
198.7401 203.6613
199.2222 177.0878
199.7043 149.6906
200.1864 122.7097
200.6685 98.39978
201.1507 76.93823
201.6328 57.92395
202.1149 40.65955
202.5970 24.88098
203.0791 13.54663
203.5612 7.466187
204.0434 5.505615
204.5255 5.177246
205.0076 6.562500
205.4897 9.394775
205.9718 13.41626
206.4539 18.49060
206.9361 24.99255
207.4182 33.45203
207.9003 43.37756
208.3824 53.12036
208.8645 62.80530
209.3466 71.55774
209.8288 79.34131
210.3109 86.69434
210.7930 91.20679
211.2751 92.31934
211.7572 90.39233
212.2393 86.61023
212.7215 80.90601
213.2036 73.88843
213.6857 65.82446
214.1678 56.49512
214.6499 46.64709
215.1320 36.35669
215.6142 25.45581
216.0963 13.25574
216.5784 1.102783
217.0605 14.90503
217.5426 26.38684
218.0247 34.90613
218.5069 42.52795
218.9890 49.33740
219.4711 55.36584
219.9532 61.07166
220.4353 66.98938
220.9175 71.84888
221.3996 74.74524
221.8817 74.73560
222.3638 75.15723
222.8459 76.86609
223.3280 79.32605
223.8102 79.29553
224.2923 76.07788
224.7744 71.59473
225.2565 67.15698
225.7386 63.45459
226.2207 58.14709
226.7029 50.77368
227.1850 41.59668
227.6671 32.13025
228.1492 22.54688
228.6313 12.46802
229.1134 1.592651
229.5956 10.66174
230.0777 22.45581
230.5598 33.14966
231.0419 43.24463
231.5240 55.42358
232.0062 70.45386
232.4883 86.56372
232.9704 102.8939
233.4525 119.9421
233.9346 136.0742
234.4167 150.7018
234.8989 164.2206
235.3810 178.3420
235.8631 192.8850
236.3452 208.4359
236.8273 225.6000
237.3094 245.1749
237.7916 264.5276
238.2737 283.7448
238.7558 302.7013
239.2379 321.0721
239.7200 338.0981
240.2021 355.5402
240.6843 374.7357
241.1664 397.2738
241.6485 418.0854
242.1306 436.7471
242.6127 453.6058
243.0948 469.3561
243.5770 483.8926
244.0591 497.5806
244.5412 510.9620
245.0233 526.2667
245.5054 536.5515
245.9876 541.0814
246.4697 540.5548
246.9518 537.1959
247.4339 531.6104
247.9160 522.2441
248.3981 508.3130
248.8803 488.7311
249.3624 466.8048
249.8445 441.9353
250.3266 414.8899
250.8087 387.6710
251.2908 360.7874
251.7730 333.2533
252.2551 304.6206
252.7372 273.2397
253.2193 244.3865
253.7014 218.8478
254.1835 195.7260
254.6657 173.1060
255.1478 149.9885
255.6299 129.0812
256.1120 111.4541
256.5941 98.06299
257.0763 85.31262
257.5584 72.60681
258.0405 60.75830
258.5226 51.77649
259.0047 46.42261
259.4868 42.15649
259.9690 37.98145
260.4511 33.58667
260.9332 30.80640
261.4153 30.03296
261.8974 30.45483
262.3795 30.62463
262.8617 30.02417
263.3438 30.39062
263.8259 32.72107
264.3080 37.50012
264.7901 40.49597
265.2722 40.80957
265.7544 40.39575
266.2365 42.38000
266.7186 47.66797
267.2007 52.53088
267.6828 55.40247
268.1649 56.08801
268.6471 58.72443
269.1292 63.92645
269.6113 70.13403
270.0934 75.31366
270.5755 79.13428
271.0576 83.34277
271.5398 88.48047
272.0219 94.54932
272.5040 100.7263
272.9861 107.1481
273.4682 113.2800
273.9503 118.2188
274.4325 121.4061
274.9146 125.1853
275.3967 130.5681
275.8788 137.3091
276.3610 142.4209
276.8431 145.7657
277.3252 147.9404
277.8073 149.3578
278.2894 150.0100
278.7715 149.9021
279.2537 148.8704
279.7358 147.4798
280.2179 147.8597
280.7000 150.4507
281.1821 152.2288
281.6642 150.4875
282.1464 145.4244
282.6285 140.9382
283.1106 137.6511
283.5927 135.3489
284.0748 133.6656
284.5569 132.6957
285.0391 132.5686
285.5212 133.7333
286.0033 136.0444
286.4854 137.9327
286.9675 139.3464
287.4496 140.1586
287.9318 139.1835
288.4139 136.0518
288.8960 133.4702
289.3781 133.6525
289.8602 135.9791
290.3423 137.1885
290.8245 136.8732
291.3066 135.7671
291.7887 135.4423
292.2708 135.7283
292.7529 134.8156
293.2350 130.2404
293.7172 123.5515
294.1993 120.0568
294.6814 120.3342
295.1635 122.0693
295.6456 122.7319
296.1277 122.4594
296.6099 121.8257
297.0920 120.6592
297.5741 119.4153
298.0562 119.2248
298.5383 120.1803
299.0204 121.3054
299.5026 122.0920
299.9847 122.3456
300.4668 121.4570
300.9489 117.6956
301.4311 113.4678
301.9132 112.7081
302.3953 115.2960
302.8774 118.4520
303.3595 120.3820
303.8416 121.2905
304.3238 121.4534
304.8059 120.3013
305.2880 119.1049
305.7701 119.1810
306.2522 120.4388
306.7343 122.3325
307.2165 124.6776
307.6986 127.4288
308.1807 130.4660
308.6628 133.9996
309.1449 137.4302
309.6270 140.5172
310.1092 143.2128
310.5913 145.2748
311.0734 145.7927
311.5555 146.0121
312.0376 147.2734
312.5197 150.4411
313.0019 152.9655
313.4840 153.0303
313.9661 151.4437
314.4482 149.8679
314.9303 148.9585
315.4124 148.0538
315.8946 146.9287
316.3767 145.6796
316.8588 143.7375
317.3409 140.7384
317.8230 136.9528
318.3051 132.7340
318.7873 128.0999
319.2694 123.3160
319.7515 118.5589
320.2336 113.8231
320.7157 108.7470
321.1978 103.0448
321.6800 97.26050
322.1621 91.91510
322.6442 87.40387
323.1263 82.72864
323.6084 77.26184
324.0905 71.21008
324.5727 66.33337
325.0548 63.69073
325.5369 61.68799
326.0190 59.34839
326.5012 56.87994
326.9833 54.00250
327.4654 50.29608
327.9475 46.04156
328.4296 42.52924
328.9117 40.02295
329.3939 38.01135
329.8760 36.36865
330.3581 35.52472
330.8402 34.17761
331.3223 31.92072
331.8044 29.17511
332.2866 26.88055
332.7687 25.38403
333.2508 23.84125
333.7329 21.72955
334.2150 18.63855
334.6971 17.02448
335.1793 18.00092
335.6614 19.36487
336.1435 17.89990
336.6256 12.19653
337.1077 7.369080
337.5898 4.430176
338.0720 3.386841
338.5541 5.876770
339.0362 13.70044
339.5183 21.15594
340.0004 22.26947
340.4825 16.08276
340.9647 10.44611
341.4468 6.460205
341.9289 4.054138
342.4110 3.524353
342.8931 5.201660
343.3752 6.548950
343.8574 5.005859
344.3395 0.8267820
344.8216 1.235107
345.3037 0.3763430
345.7858 2.055725
346.2679 4.057373
346.7501 5.628723
347.2322 6.687561
347.7143 7.422119
348.1964 7.624573
348.6785 6.291687
349.1607 3.132996
349.6428 0.1479490
350.1249 1.672791
350.6070 1.761108
351.0891 1.435486
351.5713 0.9018550
352.0534 0.2817380
352.5355 0.3585210
353.0176 1.005920
353.4997 1.382751
353.9818 0.9739380
354.4640 0.2236940
354.9461 0.1569210
355.4282 0.3044430
355.9103 0.8773190
356.3924 0.8646850
356.8745 0.3939820
357.3567 3.9000999E-02
357.8388 0.1172490
358.3209 5.3833000E-02
358.8030 1.5747000E-02
359.2851 0.1525270
359.7672 6.0364000E-02
360.2494 0.8447880
360.7315 2.058228
361.2136 2.640747
361.6957 2.116943
362.1778 0.9920650
362.6599 1.058655
363.1421 4.364197
363.6242 5.963318
364.1063 3.248169
364.5884 0.9399410
365.0705 3.675781
365.5526 3.505249
366.0348 2.753174
366.5169 1.726440
366.9990 0.4669190
367.4811 0.6430660
367.9632 1.268982
368.4453 1.937012
368.9275 2.966614
369.4096 5.538879
369.8917 6.829712
370.3738 6.123230
370.8559 4.125977
371.3380 2.778198
371.8202 2.076355
372.3023 2.034790
372.7844 2.989136
373.2665 5.601318
373.7487 6.383972
374.2308 4.552979
374.7129 1.699280
375.1950 3.1189000E-02
375.6771 0.3974000
376.1592 0.5798950
376.6414 0.9761350
377.1235 1.475159
377.6056 1.061890
378.0877 0.4384160
378.5698 1.967407
379.0519 2.562195
379.5341 2.233032
380.0162 2.162231
380.4983 2.690491
380.9804 3.374451
381.4625 2.750061
381.9446 0.8442380
382.4268 0.7231450
382.9089 0.5856930
383.3910 0.7034910
383.8731 1.318848
384.3552 1.044922
384.8373 0.4120480
385.3195 0.2954100
385.8016 0.9121090
386.2837 0.9418330
386.7658 0.3930050
387.2479 2.159119
387.7300 3.160339
388.2122 3.410095
388.6943 3.437195
389.1764 3.724365
389.6585 3.980347
390.1406 3.767822
390.6227 2.503967
391.1049 1.399780
391.5870 1.286499
392.0691 1.976807
392.5512 2.943909
393.0333 4.500671
393.5154 5.909912
393.9976 6.626404
394.4797 6.363464
394.9618 5.889771
395.4439 5.002869
395.9260 4.226379
396.4081 4.269409
396.8903 6.519531
397.3724 8.458801
397.8545 9.233398
398.3366 8.742737
398.8188 8.197754
399.3009 7.763428
399.7830 7.263550
400.2651 6.571533
400.7472 5.076904
401.2293 4.386414
401.7115 4.858459
402.1936 6.077271
402.6757 6.878845
403.1578 7.116943
403.6399 7.414978
404.1220 8.130310
404.6042 9.453918
405.0863 9.974304
405.5684 9.482483
406.0505 8.489868
406.5326 7.439880
407.0147 6.218018
407.4969 5.764648
407.9790 6.801453
408.4611 8.747314
408.9432 8.688049
409.4253 6.468872
409.9074 4.380493
410.3896 4.391113
410.8717 6.082397
411.3538 7.742493
411.8359 9.100281
412.3180 10.23700
412.8001 11.42261
413.2823 12.49561
413.7644 12.75580
414.2465 11.10767
414.7286 8.751709
415.2107 7.282837
415.6928 6.802124
416.1750 6.641235
416.6571 6.291321
417.1392 6.017883
417.6213 6.097168
418.1034 7.157715
418.5855 7.885498
419.0677 7.354370
419.5498 5.880798
420.0319 4.453003
420.5140 2.735962
420.9961 1.696838
421.4782 2.243652
421.9604 5.507263
422.4425 7.696838
422.9246 6.977051
423.4067 4.921753
423.8889 3.668579
424.3710 4.438599
424.8531 5.086426
425.3352 4.951416
425.8173 4.013916
426.2994 3.707764
426.7816 4.434937
427.2637 5.392578
427.7458 6.110840
428.2279 6.696045
428.7100 6.756470
429.1921 6.016724
429.6743 4.853760
430.1564 4.380493
430.6385 4.941040
431.1206 4.999878
431.6027 3.388550
432.0848 0.2301030
432.5670 0.5808110
433.0491 1.476929
433.5312 3.765015
434.0133 2.928589
434.4954 0.5024410
434.9775 2.883789
435.4597 3.026978
435.9418 1.957031
436.4239 1.597534
436.9060 1.789063
437.3881 1.466797
437.8702 0.8262940
438.3524 3.767700
438.8345 5.268799
439.3166 4.925171
439.7987 4.290283
440.2808 4.567261
440.7629 5.371338
441.2451 6.077148
441.7272 6.391846
442.2093 6.545166
442.6914 6.900269
443.1735 7.323486
443.6556 6.966675
444.1378 4.435791
444.6199 1.815063
445.1020 0.4410400
445.5841 1.008911
446.0662 1.862427
446.5483 3.275513
447.0305 4.767334
447.5126 5.502686
447.9947 4.412842
448.4768 3.875488
448.9590 4.965210
449.4411 7.748535
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