#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:37 +0300 (Thu, 24 May 2018) $
#$Revision: 906 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000383.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_1000383
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 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            R090049.rod
_rod_data_source.block           3500000
_rod_database.code               1000383
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
92.02539 0.0000000E+00
92.50751 17.80322
92.98962 3.605591
93.47174 5.283813
93.95386 1.776855
94.43597 12.74927
94.91809 24.64624
95.40021 38.42273
95.88232 53.17578
96.36444 66.88379
96.84656 83.64600
97.32867 104.3915
97.81078 129.2328
98.29290 158.0736
98.77502 189.9041
99.25713 222.0936
99.73925 257.0504
100.2214 299.0807
100.7035 340.6053
101.1856 380.2111
101.6677 416.8038
102.1498 447.9788
102.6320 471.3611
103.1141 487.8737
103.5962 489.7448
104.0783 473.7897
104.5604 444.7345
105.0425 405.5001
105.5247 355.3406
106.0068 300.2941
106.4889 249.0887
106.9710 200.0542
107.4531 157.4923
107.9352 122.8906
108.4173 96.04846
108.8995 75.99402
109.3816 63.33472
109.8637 57.50500
110.3458 57.46570
110.8279 63.50146
111.3100 73.87842
111.7922 86.80518
112.2743 102.3036
112.7564 120.2703
113.2385 138.9520
113.7206 160.4436
114.2027 186.4921
114.6849 217.5867
115.1670 254.2052
115.6491 297.5603
116.1312 352.5443
116.6133 410.0782
117.0954 469.9451
117.5776 531.2236
118.0597 593.4263
118.5418 656.8267
119.0239 721.6310
119.5060 779.6997
119.9881 833.8383
120.4703 880.5483
120.9524 917.5289
121.4345 945.1669
121.9166 965.8442
122.3987 980.7390
122.8808 988.6440
123.3630 996.6239
123.8451 1003.634
124.3272 1011.240
124.8093 1022.028
125.2914 1037.029
125.7735 1051.518
126.2557 1059.761
126.7378 1062.928
127.2199 1063.296
127.7020 1061.865
128.1841 1058.321
128.6662 1051.111
129.1483 1037.024
129.6305 1022.766
130.1126 1012.560
130.5947 1006.412
131.0768 1003.690
131.5589 1002.819
132.0410 1003.143
132.5232 1010.818
133.0053 1025.669
133.4874 1049.146
133.9695 1083.337
134.4516 1128.499
134.9337 1182.380
135.4159 1241.476
135.8980 1303.802
136.3801 1377.443
136.8622 1464.277
137.3443 1559.610
137.8264 1660.335
138.3086 1765.159
138.7907 1873.453
139.2728 1981.209
139.7549 2095.164
140.2370 2201.148
140.7191 2302.969
141.2013 2395.712
141.6834 2472.818
142.1655 2530.780
142.6476 2569.592
143.1297 2588.515
143.6118 2581.382
144.0939 2566.066
144.5761 2547.676
145.0582 2526.425
145.5403 2502.957
146.0224 2477.024
146.5045 2449.169
146.9866 2421.682
147.4688 2399.015
147.9509 2373.228
148.4330 2338.561
148.9151 2295.378
149.3972 2240.065
149.8793 2169.005
150.3615 2083.523
150.8436 1979.117
151.3257 1850.615
151.8078 1704.590
152.2899 1555.368
152.7720 1395.859
153.2542 1243.928
153.7363 1101.356
154.2184 969.6257
154.7005 849.7234
155.1826 743.4702
155.6647 650.2487
156.1469 566.1772
156.6290 492.6450
157.1111 429.0759
157.5932 376.4418
158.0753 333.6327
158.5574 299.3219
159.0396 272.7140
159.5217 254.2854
160.0038 240.0211
160.4859 230.5665
160.9680 223.9421
161.4501 219.6832
161.9323 217.9723
162.4144 218.8269
162.8965 222.3364
163.3786 229.0123
163.8607 236.9501
164.3428 246.8472
164.8250 257.3416
165.3071 267.1233
165.7892 276.0348
166.2713 285.2612
166.7534 296.2034
167.2355 309.0320
167.7177 323.0338
168.1998 337.4768
168.6819 353.2133
169.1640 371.8859
169.6461 394.3167
170.1282 417.9006
170.6104 440.4421
171.0925 462.0255
171.5746 480.3721
172.0567 496.9972
172.5388 509.8005
173.0209 512.4031
173.5031 501.9028
173.9852 482.3435
174.4673 457.6974
174.9494 428.2852
175.4315 396.3096
175.9136 362.0145
176.3958 325.3998
176.8779 291.1665
177.3600 260.9233
177.8421 232.8901
178.3242 205.7736
178.8063 179.5435
179.2885 155.8157
179.7706 136.1425
180.2527 120.7720
180.7348 108.6100
181.2169 101.6899
181.6990 96.31665
182.1812 90.93506
182.6633 85.15894
183.1454 79.42053
183.6275 74.27966
184.1096 69.82147
184.5917 65.87457
185.0738 62.94995
185.5560 60.10632
186.0381 56.13647
186.5202 50.94702
187.0023 46.03748
187.4844 44.03363
187.9665 46.78046
188.4487 49.87402
188.9308 53.11084
189.4129 56.76709
189.8950 60.89490
190.3771 65.52203
190.8592 71.04858
191.3414 78.33075
191.8235 87.46021
192.3056 98.19031
192.7877 112.0919
193.2698 127.1218
193.7519 140.7458
194.2341 152.1188
194.7162 161.6057
195.1983 170.0913
195.6804 178.7505
196.1625 183.9075
196.6446 184.2468
197.1268 180.2777
197.6089 172.9349
198.0910 162.1353
198.5731 148.5387
199.0552 133.1063
199.5373 115.4670
200.0195 97.79028
200.5016 80.38696
200.9837 63.52899
201.4658 48.89783
201.9479 37.49072
202.4300 28.09949
202.9122 18.74329
203.3943 9.141907
203.8764 1.658264
204.3585 1.358826
204.8406 3.4667999E-02
205.3227 2.298340
205.8048 4.480835
206.2870 7.494812
206.7691 12.36896
207.2512 19.18805
207.7333 26.41046
208.2154 32.26147
208.6975 36.45123
209.1797 40.96814
209.6618 46.53827
210.1439 52.26367
210.6260 58.34613
211.1081 64.57959
211.5902 69.47162
212.0724 70.72601
212.5545 67.13147
213.0366 63.51343
213.5187 60.89813
214.0008 57.92078
214.4829 53.55798
214.9651 47.70428
215.4472 41.05194
215.9293 34.54712
216.4114 28.02386
216.8935 22.06262
217.3756 16.92914
217.8578 12.04022
218.3399 6.723633
218.8220 0.9680790
219.3041 4.586792
219.7862 8.862671
220.2683 11.13379
220.7505 13.38220
221.2326 15.99390
221.7147 18.37927
222.1968 20.07196
222.6789 20.97144
223.1610 21.30328
223.6432 21.34528
224.1253 20.69971
224.6074 20.64056
225.0895 22.20471
225.5716 23.78809
226.0537 23.53101
226.5358 21.07233
227.0180 18.12262
227.5001 17.23218
227.9822 19.39001
228.4643 20.45581
228.9464 20.09253
229.4285 18.56177
229.9107 15.55780
230.3928 10.94678
230.8749 6.362732
231.3570 4.195068
231.8391 4.672424
232.3212 4.790771
232.8034 4.325256
233.2855 3.156189
233.7676 0.7788090
234.2497 3.090271
234.7318 7.038025
235.2139 8.992126
235.6961 9.244202
236.1782 10.37622
236.6603 13.31738
237.1424 17.44220
237.6245 21.88397
238.1066 26.60797
238.5888 31.49591
239.0709 36.61871
239.5530 41.86279
240.0351 46.89221
240.5172 51.29901
240.9993 55.47510
241.4815 60.09869
241.9636 65.19586
242.4457 70.83136
242.9278 77.47919
243.4099 84.69202
243.8920 91.51489
244.3742 97.01337
244.8563 101.9105
245.3384 108.1834
245.8205 116.7360
246.3026 124.5886
246.7847 130.2792
247.2668 134.2297
247.7490 136.8949
248.2311 138.2482
248.7132 138.5643
249.1953 138.7300
249.6774 139.5582
250.1595 138.4149
250.6417 133.0388
251.1238 125.6378
251.6059 119.1041
252.0880 114.9966
252.5701 112.2391
253.0522 108.0413
253.5344 101.9709
254.0165 95.27301
254.4986 87.90533
254.9807 80.39111
255.4628 73.06647
255.9449 66.02008
256.4271 59.61035
256.9092 54.79773
257.3913 52.62073
257.8734 50.16498
258.3555 45.93030
258.8376 41.60828
259.3198 38.94519
259.8019 38.65344
260.2840 39.68109
260.7661 39.75684
261.2482 37.97491
261.7303 36.98401
262.2125 37.25708
262.6946 38.17139
263.1767 39.32507
263.6588 40.54938
264.1409 41.70856
264.6230 42.51611
265.1052 42.65448
265.5873 43.06317
266.0694 43.84302
266.5515 44.82263
267.0336 45.88440
267.5157 46.99353
267.9979 48.18597
268.4800 49.51819
268.9621 50.98456
269.4442 52.61108
269.9263 54.18127
270.4084 56.02264
270.8906 58.46790
271.3727 61.50562
271.8548 64.79535
272.3369 67.99921
272.8190 71.31512
273.3011 73.78589
273.7833 75.01056
274.2654 75.90930
274.7475 76.80396
275.2296 77.80084
275.7117 78.96851
276.1938 80.34967
276.6760 81.84747
277.1581 83.54987
277.6402 86.48999
278.1223 88.83240
278.6044 89.22809
279.0865 88.06860
279.5686 86.94653
280.0508 87.27966
280.5329 89.16956
281.0150 89.89081
281.4971 88.78412
281.9792 87.52301
282.4613 87.08508
282.9435 86.86938
283.4256 85.50714
283.9077 82.09204
284.3898 77.07117
284.8719 73.37634
285.3540 71.64850
285.8362 69.82416
286.3183 67.43988
286.8004 64.78473
287.2825 62.30811
287.7646 60.28687
288.2467 58.79669
288.7289 57.75238
289.2110 57.51349
289.6931 56.77063
290.1752 54.66180
290.6573 52.19055
291.1394 50.94995
291.6216 51.66479
292.1037 53.51514
292.5858 54.71326
293.0679 55.59662
293.5500 54.74591
294.0321 50.69885
294.5143 45.52954
294.9964 41.34955
295.4785 38.69031
295.9606 37.13739
296.4427 36.22742
296.9248 36.19476
297.4070 36.02106
297.8891 35.62994
298.3712 35.11530
298.8533 34.55518
299.3354 33.96942
299.8175 33.30530
300.2997 32.42236
300.7818 31.22522
301.2639 30.60754
301.7460 31.06390
302.2281 31.69135
302.7102 31.93518
303.1924 31.76562
303.6745 31.33905
304.1566 30.67987
304.6387 29.83368
305.1208 29.40759
305.6029 29.90472
306.0851 30.29254
306.5672 29.67633
307.0493 28.44543
307.5314 27.87018
308.0135 28.77899
308.4956 30.81903
308.9778 32.40698
309.4599 33.71851
309.9420 34.44910
310.4241 34.01123
310.9062 32.96173
311.3883 32.48193
311.8705 33.13354
312.3526 34.34857
312.8347 34.84900
313.3168 34.41064
313.7989 33.84296
314.2810 32.79095
314.7632 31.88959
315.2453 32.35718
315.7274 34.59631
316.2095 37.04010
316.6916 37.41608
317.1737 35.17072
317.6559 33.31570
318.1380 32.45874
318.6201 31.87979
319.1022 30.99066
319.5843 29.71121
320.0664 28.06119
320.5485 25.80521
321.0306 22.89844
321.5128 21.30734
321.9949 22.37891
322.4770 23.58124
322.9591 23.01382
323.4412 20.95029
323.9233 19.14853
324.4055 18.92584
324.8876 19.95740
325.3697 19.86942
325.8518 17.04068
326.3339 14.99646
326.8160 16.03983
327.2982 18.83017
327.7803 20.29694
328.2624 18.86258
328.7445 15.66632
329.2266 13.75787
329.7087 13.85812
330.1909 13.63300
330.6730 12.18320
331.1551 10.35583
331.6372 9.397186
332.1193 9.678284
332.6014 10.34433
333.0836 10.15594
333.5657 8.751221
334.0478 7.496307
334.5299 6.241882
335.0120 5.298157
335.4941 4.975830
335.9763 5.275482
336.4584 5.986786
336.9405 6.921478
337.4226 8.148438
337.9047 9.475830
338.3868 12.21863
338.8690 13.85895
339.3511 12.23056
339.8332 8.245544
340.3153 4.825989
340.7974 3.860413
341.2795 4.822205
341.7617 4.729553
342.2438 2.202545
342.7259 0.4536440
343.2080 0.8797300
343.6901 2.365326
344.1722 3.216888
344.6544 2.733093
345.1365 1.476440
345.6186 0.5578610
346.1007 4.5074001E-02
346.5828 0.3523860
347.0649 0.2811580
347.5471 7.7271000E-02
348.0292 0.8509520
348.5113 1.972321
348.9934 2.930054
349.4755 3.050659
349.9576 2.037476
350.4398 1.375244
350.9219 1.287598
351.4040 1.285248
351.8861 1.118103
352.3682 0.8023380
352.8503 0.4301150
353.3325 8.5140001E-03
353.8146 0.4168090
354.2967 0.1362920
354.7788 1.651642
355.2609 3.139496
355.7430 3.983459
356.2252 4.312866
356.7073 4.202362
357.1894 3.729523
357.6715 3.012390
358.1536 2.278290
358.6357 0.9906010
359.1179 0.5876460
359.5999 1.733704
360.0821 3.329193
360.5642 4.661865
361.0463 5.510406
361.5284 5.855194
362.0105 5.591400
362.4926 4.617706
362.9748 3.438385
363.4569 1.551086
363.9390 4.9621999E-02
364.4211 0.8162540
364.9032 0.9159850
365.3853 0.8478390
365.8675 0.9954220
366.3496 1.307983
366.8317 1.357727
367.3138 1.049500
367.7959 0.5744930
368.2780 2.8960999E-02
368.7602 0.7521060
369.2423 1.644226
369.7244 2.736206
370.2065 3.871033
370.6886 4.791199
371.1707 5.586334
371.6529 5.898804
372.1350 5.438202
372.6171 4.707123
373.0992 3.884705
373.5813 3.045227
374.0634 2.388824
374.5456 2.172668
375.0277 2.389618
375.5098 2.682312
375.9919 3.468567
376.4740 3.867737
376.9561 3.079742
377.4383 1.607910
377.9204 0.6310420
378.4025 0.9820860
378.8846 2.179474
379.3667 2.881927
379.8488 2.981537
380.3310 3.032776
380.8131 3.446198
381.2952 3.743256
381.7773 3.242859
382.2594 1.649689
382.7415 6.3385002E-02
383.2237 0.1256410
383.7058 1.058868
384.1879 1.886292
384.6700 1.899261
385.1521 1.464142
385.6342 0.7046510
386.1164 0.3262330
386.5985 0.9223630
387.0806 0.3292240
387.5627 0.9695740
388.0448 1.729614
388.5269 1.702637
389.0091 1.619629
389.4912 2.235016
389.9733 3.206909
390.4554 3.748383
390.9375 3.665222
391.4196 3.116547
391.9018 1.958374
392.3839 0.2867430
392.8660 1.019562
393.3481 1.731567
393.8302 1.659271
394.3123 0.2442630
394.7945 3.189514
395.2766 5.706543
395.7587 5.755005
396.2408 4.240509
396.7229 2.412262
397.2050 0.4380800
397.6872 1.136230
398.1693 1.576935
398.6514 0.7448730
399.1335 7.7789001E-02
399.6156 0.2238770
400.0977 0.4451900
400.5798 0.9797670
401.0620 1.700714
401.5441 1.929504
402.0262 1.121948
402.5083 0.4279480
402.9904 1.167175
403.4725 0.7016910
403.9547 5.2094001E-02
404.4368 0.6589050
404.9189 1.433533
405.4010 2.334290
405.8831 3.361572
406.3652 4.353821
406.8474 5.127777
407.3295 5.894867
407.8116 5.677734
408.2937 3.195801
408.7758 0.9837040
409.2579 0.9241940
409.7401 2.509277
410.2222 3.758148
410.7043 3.123413
411.1864 0.8927610
411.6685 0.3994450
412.1506 0.2213440
412.6328 0.6804810
413.1149 0.1237180
413.5970 0.4972230
414.0791 0.2037350
414.5612 2.634247
415.0433 5.398987
415.5255 6.154663
416.0076 4.158356
416.4897 2.724457
416.9718 2.688019
417.4539 2.732330
417.9360 2.031403
418.4182 0.8007200
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