#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:19 +0300 (Thu, 24 May 2018) $
#$Revision: 887 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000366.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_1000366
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        R050483
_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 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            R050483.rod
_rod_data_source.block           3500000
_rod_database.code               1000366
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
145.3697 0.0000000E+00
145.8518 11.84766
146.3340 29.69043
146.8161 49.48291
147.2982 70.95312
147.7803 92.69775
148.2624 111.7090
148.7445 131.5986
149.2267 152.4033
149.7088 167.7710
150.1909 177.3293
150.6730 182.0581
151.1551 181.2361
151.6372 176.3411
152.1194 173.0317
152.6015 170.5166
153.0836 162.2036
153.5657 143.6909
154.0478 121.0725
154.5299 98.16406
155.0121 76.98486
155.4942 58.36499
155.9763 42.32422
156.4584 29.09912
156.9405 18.51855
157.4226 9.473389
157.9048 2.315186
158.3869 3.119873
158.8690 7.334717
159.3511 10.25854
159.8332 11.16772
160.3153 9.403809
160.7975 4.918213
161.2796 1.491943
161.7617 9.851318
162.2438 19.79102
162.7259 29.41260
163.2081 37.71851
163.6902 46.44092
164.1723 57.03442
164.6544 69.59668
165.1365 83.10425
165.6186 97.16821
166.1008 112.6641
166.5829 125.6177
167.0650 132.8994
167.5471 139.0247
168.0292 146.4216
168.5113 155.8323
168.9935 166.4048
169.4756 176.8301
169.9577 188.1770
170.4398 196.9727
170.9219 204.2764
171.4040 209.0251
171.8862 209.9480
172.3683 206.6580
172.8504 200.3352
173.3325 193.6814
173.8146 187.9375
174.2967 180.4258
174.7789 170.1990
175.2610 158.2498
175.7431 145.5427
176.2252 132.2971
176.7073 118.8076
177.1894 106.0364
177.6716 93.39819
178.1537 82.10181
178.6358 73.09351
179.1179 65.52271
179.6000 57.29590
180.0821 47.09644
180.5643 36.07568
181.0464 28.03247
181.5285 23.63672
182.0106 20.32153
182.4927 17.04272
182.9748 13.92822
183.4570 11.27490
183.9391 9.180176
184.4212 7.724121
184.9033 6.885010
185.3854 7.169922
185.8675 7.389404
186.3497 6.284912
186.8318 3.708008
187.3139 1.135254
187.7960 0.9282230
188.2781 2.504639
188.7602 3.531982
189.2424 4.014648
189.7245 3.851074
190.2066 2.827393
190.6887 0.7385250
191.1708 1.484375
191.6530 3.499756
192.1351 5.474365
192.6172 7.432373
193.0993 9.365234
193.5814 11.53784
194.0635 14.48462
194.5457 18.65234
195.0278 22.86182
195.5099 27.57666
195.9920 31.88916
196.4741 34.91406
196.9562 36.24854
197.4384 36.14893
197.9205 35.26978
198.4026 33.10620
198.8847 30.78833
199.3668 28.71436
199.8489 26.54175
200.3311 23.79126
200.8132 20.17822
201.2953 15.90625
201.7774 11.89697
202.2595 6.958008
202.7416 3.591064
203.2238 9.570313
203.7059 16.90991
204.1880 24.58813
204.6701 32.08276
205.1522 39.47461
205.6343 47.21729
206.1165 55.94849
206.5986 64.20337
207.0807 71.31494
207.5628 77.75854
208.0449 84.63550
208.5270 92.74097
209.0092 101.3950
209.4913 107.5991
209.9734 110.3811
210.4555 112.3931
210.9376 114.8008
211.4197 117.3057
211.9019 119.0095
212.3840 119.6208
212.8661 118.8721
213.3482 116.2498
213.8303 110.7927
214.3124 105.1665
214.7946 101.2751
215.2767 98.71606
215.7588 95.38379
216.2409 89.88550
216.7230 83.34448
217.2052 77.65820
217.6873 73.16309
218.1694 69.48584
218.6515 66.80737
219.1336 65.17358
219.6157 63.12451
220.0979 59.39478
220.5800 55.34351
221.0621 52.53638
221.5442 51.28149
222.0263 50.58447
222.5084 49.34082
222.9906 47.41089
223.4727 46.16626
223.9548 47.30103
224.4369 48.52930
224.9190 47.89331
225.4011 44.93970
225.8833 41.36963
226.3654 38.81128
226.8475 37.15649
227.3296 37.18896
227.8117 41.73975
228.2938 46.33350
228.7760 47.69897
229.2581 45.26099
229.7402 41.60229
230.2223 40.11499
230.7044 41.31812
231.1865 43.03418
231.6687 45.77246
232.1508 48.41113
232.6329 50.09033
233.1150 50.72021
233.5971 51.02832
234.0792 52.08301
234.5614 54.33057
235.0435 56.27417
235.5256 58.18311
236.0077 59.63110
236.4898 60.07544
236.9719 59.57739
237.4541 58.86963
237.9362 58.82471
238.4183 59.14038
238.9004 60.94849
239.3825 65.47974
239.8646 70.35107
240.3468 74.01855
240.8289 76.27539
241.3110 77.88696
241.7931 79.81689
242.2752 82.25391
242.7573 84.47461
243.2395 86.38208
243.7216 88.17212
244.2037 89.94800
244.6858 91.70801
245.1679 93.44629
245.6501 95.27100
246.1322 97.45996
246.6143 98.22583
247.0964 96.29736
247.5785 94.10303
248.0606 93.67310
248.5428 94.98267
249.0249 96.09448
249.5070 95.07642
249.9891 91.51050
250.4712 88.23950
250.9533 85.81177
251.4355 83.26025
251.9176 79.72168
252.3997 75.26538
252.8818 70.78638
253.3639 67.04224
253.8460 64.07397
254.3282 61.14380
254.8103 57.84839
255.2924 54.88281
255.7745 53.35205
256.2566 53.03955
256.7387 51.89380
257.2209 48.11450
257.7030 42.09814
258.1851 37.16040
258.6672 33.15332
259.1493 30.32397
259.6314 29.37842
260.1136 30.09326
260.5957 30.72266
261.0778 30.22705
261.5599 28.87769
262.0420 27.74854
262.5241 26.74585
263.0063 26.07300
263.4884 26.05005
263.9705 26.60083
264.4526 27.03589
264.9347 26.87695
265.4168 26.51709
265.8990 26.79858
266.3811 28.12085
266.8632 29.28735
267.3453 29.11694
267.8274 27.81958
268.3095 27.10132
268.7917 27.99316
269.2738 29.44116
269.7559 29.92163
270.2380 29.26831
270.7201 28.68750
271.2022 29.27539
271.6844 30.85449
272.1665 31.87036
272.6486 31.84937
273.1307 31.20459
273.6128 30.18115
274.0949 28.78271
274.5771 27.79956
275.0592 27.81128
275.5413 28.72485
276.0234 29.99536
276.5055 31.83691
276.9876 33.60034
277.4698 34.82275
277.9519 35.55127
278.4340 36.08691
278.9161 36.64868
279.3982 37.15381
279.8803 37.38843
280.3625 37.30640
280.8446 36.96753
281.3267 35.91040
281.8088 34.63867
282.2909 34.37378
282.7730 36.63940
283.2552 40.35645
283.7373 41.87354
284.2194 40.33813
284.7015 38.21655
285.1836 36.38306
285.6658 34.87988
286.1479 33.72705
286.6300 32.99609
287.1121 32.50708
287.5942 31.98779
288.0764 31.32617
288.5585 30.60791
289.0406 30.08521
289.5227 29.66919
290.0048 29.22046
290.4869 28.78369
290.9691 28.26074
291.4512 27.50586
291.9333 26.48926
292.4154 25.56250
292.8975 25.23682
293.3796 24.82764
293.8618 23.59326
294.3439 21.34814
294.8260 19.00415
295.3081 18.07007
295.7902 19.08496
296.2723 18.96265
296.7545 15.18335
297.2366 11.55225
297.7187 10.38110
298.2008 11.79980
298.6829 14.29224
299.1650 16.55615
299.6472 18.59204
300.1293 20.15991
300.6114 21.54565
301.0935 21.97290
301.5756 20.72705
302.0577 18.17188
302.5399 15.42969
303.0220 13.38477
303.5041 11.99780
303.9862 11.01562
304.4683 10.71069
304.9504 10.42920
305.4326 10.01392
305.9147 9.565430
306.3968 9.269775
306.8789 9.258545
307.3610 9.376465
307.8431 9.187744
308.3253 8.328125
308.8074 7.888672
309.2895 8.118164
309.7716 8.858154
310.2537 10.19482
310.7358 12.27466
311.2180 14.37427
311.7001 14.76392
312.1822 12.60840
312.6643 10.48169
313.1464 8.493896
313.6285 6.917969
314.1107 5.992432
314.5928 5.767090
315.0749 6.042480
315.5570 6.696045
316.0391 7.947998
316.5212 8.760254
317.0034 8.820313
317.4855 8.581055
317.9676 8.239014
318.4497 7.847900
318.9318 7.361328
319.4139 6.830811
319.8961 6.297607
320.3782 5.538818
320.8603 3.735352
321.3424 2.495361
321.8245 2.785645
322.3066 4.202637
322.7888 5.726563
323.2709 6.786377
323.7530 7.346436
324.2351 7.020752
324.7172 4.902588
325.1993 3.086670
325.6815 2.590576
326.1636 2.682861
326.6457 2.064941
327.1278 0.1496580
327.6099 2.773926
328.0920 2.574707
328.5742 2.209717
329.0563 6.007568
329.5384 7.569580
330.0205 7.699463
330.5026 6.752930
330.9847 4.837158
331.4669 2.592529
331.9490 0.8505860
332.4311 0.3461910
332.9132 1.185303
333.3953 1.468506
333.8774 1.513428
334.3596 1.161377
334.8417 0.5942380
335.3238 0.5043950
335.8059 2.203125
336.2880 5.750000
336.7701 7.104004
337.2523 4.861816
337.7344 1.708496
338.2165 1.943604
338.6986 5.520508
339.1807 7.911133
339.6628 8.391113
340.1450 7.163086
340.6271 4.602539
341.1092 0.8237300
341.5913 4.544189
342.0735 3.830566
342.5556 1.002686
343.0377 1.335693
343.5198 2.324463
344.0019 2.134766
344.4840 0.4123540
344.9662 3.608398
345.4483 5.854248
345.9304 2.423584
346.4125 1.728027
346.8946 2.654541
347.3767 0.2558590
347.8589 3.667480
348.3410 4.210449
348.8231 1.944092
349.3052 0.1130370
349.7873 1.553711
350.2694 2.652344
350.7516 3.559570
351.2337 4.231689
351.7158 4.624268
352.1979 4.714355
352.6800 4.559570
353.1621 4.159912
353.6443 3.395996
354.1264 2.388184
354.6085 0.9912110
355.0906 0.4975590
355.5727 1.590088
356.0548 2.069092
356.5370 2.087402
357.0191 1.931885
357.5012 1.680908
357.9833 1.041748
358.4654 0.9765630
358.9475 3.010986
359.4297 3.225830
359.9118 1.132813
360.3939 1.172363
360.8760 2.333984
361.3581 2.436523
361.8402 1.763672
362.3224 0.1884770
362.8045 1.993896
363.2866 1.772461
363.7687 0.2446290
364.2508 1.738281
364.7329 1.452148
365.2151 0.1862790
365.6972 0.6557620
366.1793 0.8745120
366.6614 1.172852
367.1435 2.454590
367.6256 4.255127
368.1078 5.110352
368.5899 4.040527
369.0720 2.622314
369.5541 2.015381
370.0362 2.206543
370.5183 2.991943
371.0005 4.519775
371.4826 6.343262
371.9647 7.413574
372.4468 7.592529
372.9289 7.632568
373.4110 8.097412
373.8932 8.522461
374.3753 7.779541
374.8574 5.435791
375.3395 2.883301
375.8216 2.052490
376.3037 3.181641
376.7859 3.861328
377.2680 3.198242
377.7501 2.422119
378.2322 2.622803
378.7143 3.802002
379.1964 5.358398
379.6786 7.107178
380.1607 8.876953
380.6428 9.020264
381.1249 5.749512
381.6070 3.072266
382.0891 2.782959
382.5713 4.035400
383.0534 5.176025
383.5355 5.493408
384.0176 5.440186
384.4997 5.998047
384.9818 8.028564
385.4640 9.200928
385.9461 8.959961
386.4282 8.320801
386.9103 8.099365
387.3924 8.388672
387.8745 8.643799
388.3567 8.249268
388.8388 7.057617
389.3209 6.304688
389.8030 6.506836
390.2851 6.534180
390.7672 5.460449
391.2494 3.912109
391.7315 3.247803
392.2136 4.334229
392.6957 6.637207
393.1778 8.094482
393.6599 8.142578
394.1421 7.850098
394.6242 6.865967
395.1063 6.087158
395.5884 6.571045
396.0706 8.364258
396.5527 10.19263
397.0348 10.14038
397.5169 7.411621
397.9990 5.956787
398.4811 7.267090
398.9633 8.501465
399.4454 8.221191
399.9275 6.966553
400.4096 6.039063
400.8917 6.382568
401.3738 7.555664
401.8560 7.705566
402.3381 6.286133
402.8202 4.749268
403.3023 3.465088
403.7844 2.636230
404.2665 2.321289
404.7487 2.499268
405.2308 2.705322
405.7129 2.226563
406.1950 1.121826
406.6771 0.2192380
407.1592 0.7990720
407.6414 1.132324
408.1235 0.4484860
408.6056 3.489990
409.0877 5.578369
409.5698 4.480957
410.0519 1.565430
410.5341 0.1945800
411.0162 0.8034670
411.4983 1.575928
411.9804 1.428223
412.4625 0.6945800
412.9446 0.2092290
413.4268 1.589600
413.9089 2.492188
414.3910 1.920898
414.8731 0.1066890
415.3552 1.862549
415.8373 3.756104
416.3195 5.578857
416.8016 7.364990
417.2837 9.190918
417.7658 10.42700
418.2479 10.84497
418.7300 10.55444
419.2122 9.391846
419.6943 7.433594
420.1764 5.648438
420.6585 4.648438
421.1406 4.401855
421.6227 4.695801
422.1049 5.789795
422.5870 7.112549
423.0691 8.769531
423.5512 10.44141
424.0333 11.58862
424.5154 12.00586
424.9976 11.87061
425.4797 11.47705
425.9618 11.01685
426.4439 9.825439
426.9260 6.609131
427.4081 3.688965
427.8903 3.283936
428.3724 5.048584
428.8545 6.639160
429.3366 6.045166
429.8187 3.396484
430.3008 1.605469
430.7830 0.8027340
431.2651 0.8408200
431.7472 2.609375
432.2293 4.869873
432.7114 5.940674
433.1935 5.223145
433.6757 3.906982
434.1578 4.109375
434.6399 6.280273
435.1220 8.194092
435.6041 9.900635
436.0862 11.06128
436.5684 11.11816
437.0505 10.35718
437.5326 9.756348
438.0147 10.08618
438.4968 11.05444
438.9789 11.65356
439.4611 11.76147
439.9432 11.75757
440.4253 11.74268
440.9074 11.75586
441.3895 11.88794
441.8716 12.18359
442.3538 12.51001
442.8359 12.69019
443.3180 12.78564
443.8001 13.15503
444.2822 13.93115
444.7643 14.90698
445.2465 16.31152
445.7286 17.92896
446.2107 18.43433
446.6928 16.47388
447.1749 13.90747
447.6570 12.72070
448.1392 12.82910
448.6213 12.97241
449.1034 12.44019
449.5855 11.52368
450.0677 11.05127
450.5498 10.91772
451.0319 11.26562
451.5140 12.97510
451.9961 14.80054
452.4782 14.85010
452.9604 12.88794
453.4425 10.76587
453.9246 10.47070
454.4067 12.25317
454.8888 13.23535
455.3709 12.87939
455.8531 12.47095
456.3352 12.56836
456.8173 12.91797
457.2994 13.00586
457.7815 12.60278
458.2636 11.95435
458.7458 11.51904
459.2279 11.23950
459.7100 11.36597
460.1921 12.30078
460.6742 13.24854
461.1563 13.64941
461.6385 13.59619
462.1206 13.59888
462.6027 14.05884
463.0848 14.90747
463.5669 15.83789
464.0490 17.03662
464.5312 17.74780
465.0133 17.45337
465.4954 16.72070
465.9775 16.20410
466.4596 16.04883
466.9417 15.70654
467.4239 14.13867
467.9060 11.63623
468.3881 10.74854
468.8702 12.61084
469.3523 14.89844
469.8344 15.76709
470.3166 15.47388
470.7987 14.58008
471.2808 13.27734
471.7629 11.40967
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