#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:36 +0300 (Thu, 24 May 2018) $
#$Revision: 672 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000196.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_1000196
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 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            R050483.rod
_rod_data_source.block           3500000
_rod_database.code               1000196
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
145.0049 0.0000000E+00
145.4870 21.72266
145.9691 49.48730
146.4512 80.58203
146.9333 106.4473
147.4155 119.5684
147.8976 122.1426
148.3797 137.4482
148.8618 171.1582
149.3439 202.3525
149.8260 221.9336
150.3082 218.1396
150.7903 217.9746
151.2724 222.1611
151.7545 227.1943
152.2366 233.0586
152.7188 222.3203
153.2009 187.4932
153.6830 155.6836
154.1651 127.4141
154.6472 98.52051
155.1293 73.12305
155.6115 50.04004
156.0936 29.46582
156.5757 15.31152
157.0578 6.036133
157.5399 0.3857420
158.0220 1.812500
158.5042 2.536133
158.9863 6.005859
159.4684 14.63965
159.9505 13.80078
160.4326 11.40332
160.9147 47.44824
161.3969 74.13477
161.8790 71.23633
162.3611 66.93555
162.8432 78.69629
163.3253 113.2988
163.8074 148.1758
164.2896 170.0439
164.7717 185.2539
165.2538 205.1738
165.7359 241.8828
166.2180 281.3906
166.7001 312.6045
167.1823 329.7480
167.6644 342.6377
168.1465 357.0518
168.6286 374.5449
169.1107 395.4600
169.5928 433.1904
170.0750 475.2490
170.5571 505.8438
171.0392 511.1484
171.5213 505.4570
172.0034 506.8516
172.4855 515.1631
172.9677 522.5273
173.4498 518.4609
173.9319 501.0645
174.4140 477.4219
174.8961 448.2705
175.3782 419.7783
175.8604 397.9775
176.3425 382.0488
176.8246 368.3369
177.3067 355.6973
177.7888 343.1396
178.2709 329.1025
178.7531 312.4697
179.2352 294.2939
179.7173 274.8301
180.1994 254.1045
180.6815 235.4893
181.1636 222.6475
181.6458 214.4219
182.1279 208.0342
182.6100 204.7275
183.0921 201.7529
183.5742 191.6650
184.0563 174.2070
184.5385 156.8457
185.0206 149.4756
185.5027 149.7080
185.9848 146.4707
186.4669 134.9922
186.9490 117.1797
187.4312 96.14355
187.9133 71.15430
188.3954 49.26758
188.8775 43.31543
189.3596 51.29980
189.8417 53.98535
190.3239 39.83691
190.8060 13.18262
191.2881 3.487305
191.7702 9.011719
192.2523 8.394531
192.7344 6.054688
193.2166 1.934570
193.6987 0.4902340
194.1808 0.5859380
194.6629 4.841797
195.1450 9.586914
195.6271 15.69434
196.1093 20.02637
196.5914 16.18066
197.0735 3.445313
197.5556 7.784180
198.0377 13.22754
198.5198 12.91797
199.0020 8.924805
199.4841 0.1113280
199.9662 10.65039
200.4483 19.63965
200.9304 27.25391
201.4125 31.11523
201.8947 28.37891
202.3768 18.22656
202.8589 4.999023
203.3410 3.431641
203.8231 7.832031
204.3052 8.336914
204.7874 3.633789
205.2695 0.7773440
205.7516 2.938477
206.2337 10.46680
206.7158 21.44531
207.1979 37.78223
207.6801 55.82324
208.1622 67.27246
208.6443 70.62500
209.1264 72.07520
209.6085 74.87305
210.0906 80.02539
210.5728 81.52246
211.0549 77.79199
211.5370 71.63574
212.0191 69.99707
212.5012 75.42383
212.9833 79.50586
213.4655 77.54883
213.9476 67.58301
214.4297 59.38184
214.9118 53.73633
215.3939 49.77734
215.8760 45.09082
216.3581 38.13281
216.8403 33.45996
217.3224 34.11816
217.8045 44.30664
218.2866 49.93750
218.7687 47.61621
219.2508 40.20703
219.7330 36.43848
220.2151 38.11426
220.6972 39.61328
221.1793 37.41797
221.6614 28.12402
222.1435 23.90430
222.6257 27.96973
223.1078 36.19141
223.5899 36.64844
224.0720 24.60352
224.5541 12.53809
225.0362 6.357422
225.5184 8.997070
226.0005 10.76465
226.4826 11.27734
226.9647 11.18652
227.4468 12.65820
227.9289 18.21875
228.4111 21.89648
228.8932 20.07715
229.3753 7.928711
229.8574 2.680664
230.3395 7.796875
230.8216 19.26270
231.3038 25.70117
231.7859 22.79395
232.2680 21.05371
232.7501 25.50879
233.2322 39.25977
233.7143 51.81836
234.1965 62.35547
234.6786 71.79297
235.1607 82.95020
235.6428 96.15137
236.1249 110.2646
236.6070 124.7295
237.0892 139.3584
237.5713 154.2793
238.0534 168.8203
238.5355 183.6006
239.0176 201.0859
239.4997 226.0264
239.9819 247.2012
240.4640 258.2500
240.9461 251.3574
241.4282 253.6211
241.9103 269.7520
242.3924 293.6016
242.8746 310.3008
243.3567 316.4395
243.8388 320.8760
244.3209 327.1533
244.8030 336.0986
245.2851 345.0664
245.7673 356.1387
246.2494 366.5029
246.7315 369.5205
247.2136 361.1641
247.6957 352.2988
248.1778 347.8457
248.6600 351.2920
249.1421 347.3516
249.6242 333.9385
250.1063 315.3105
250.5884 298.9248
251.0705 285.4834
251.5527 273.0898
252.0348 261.0771
252.5169 249.3447
252.9990 236.9111
253.4811 223.5127
253.9632 209.3203
254.4454 195.0850
254.9275 181.2432
255.4096 167.4766
255.8917 152.5869
256.3738 135.3691
256.8560 122.9707
257.3381 116.6592
257.8202 113.3955
258.3023 109.4443
258.7844 105.1162
259.2665 99.96387
259.7487 94.08301
260.2308 87.79102
260.7129 82.11523
261.1950 75.91797
261.6771 70.29688
262.1592 67.24023
262.6414 67.28711
263.1235 68.44141
263.6056 70.60840
264.0877 73.99609
264.5698 75.52246
265.0519 73.74316
265.5341 72.14551
266.0162 76.21289
266.4983 89.18555
266.9804 97.33887
267.4625 95.15918
267.9446 82.91016
268.4268 79.01855
268.9089 86.73340
269.3910 97.01562
269.8731 99.23730
270.3552 90.16895
270.8373 86.42480
271.3195 94.68848
271.8016 112.8594
272.2837 118.0996
272.7658 106.5381
273.2479 90.80762
273.7300 81.89160
274.2122 80.33301
274.6943 82.68750
275.1764 89.69238
275.6585 100.1738
276.1406 107.7871
276.6227 112.3652
277.1049 114.9912
277.5870 115.1846
278.0691 112.4541
278.5512 114.0996
279.0333 122.9023
279.5154 136.0801
279.9976 144.7305
280.4797 148.7061
280.9618 148.8770
281.4439 144.5508
281.9260 135.5977
282.4081 127.5469
282.8903 120.2197
283.3724 115.0059
283.8545 117.1943
284.3366 127.5361
284.8187 137.2627
285.3008 140.0713
285.7830 136.5664
286.2651 132.2051
286.7472 126.0977
287.2293 121.8867
287.7114 128.1689
288.1935 144.8379
288.6757 161.7012
289.1578 172.8613
289.6399 179.1572
290.1220 184.4785
290.6041 189.1367
291.0862 192.5693
291.5684 193.6807
292.0505 192.5957
292.5326 190.6885
293.0147 189.8174
293.4968 188.7041
293.9789 182.7754
294.4611 171.4531
294.9432 158.6787
295.4253 148.0996
295.9074 139.7900
296.3895 133.8975
296.8716 132.9727
297.3538 134.0146
297.8359 129.7158
298.3180 119.7949
298.8001 110.3613
299.2822 106.9072
299.7643 108.3691
300.2465 112.1826
300.7286 120.5234
301.2107 128.6641
301.6928 128.6035
302.1749 120.8232
302.6570 112.9209
303.1392 111.7598
303.6213 114.4883
304.1034 116.1367
304.5855 114.5762
305.0676 112.3281
305.5497 113.0801
306.0319 116.0020
306.5140 117.0166
306.9961 110.2764
307.4782 101.1738
307.9603 96.56738
308.4424 100.0791
308.9246 104.5654
309.4067 102.7842
309.8888 96.90332
310.3709 93.42480
310.8530 97.29785
311.3351 103.9443
311.8173 109.8926
312.2994 115.7959
312.7815 119.1230
313.2636 115.4326
313.7457 108.5029
314.2278 104.8564
314.7100 111.2070
315.1921 119.2607
315.6742 124.2578
316.1563 125.5713
316.6384 125.3223
317.1205 123.3135
317.6027 120.5732
318.0848 118.4170
318.5669 121.1582
319.0490 121.0498
319.5311 112.4287
320.0132 94.56250
320.4954 80.84570
320.9775 77.94922
321.4596 79.38379
321.9417 79.69629
322.4238 75.82812
322.9059 72.59961
323.3881 72.12988
323.8702 74.05957
324.3523 74.27344
324.8344 69.17773
325.3165 64.37109
325.7986 63.12988
326.2808 69.63965
326.7629 75.58105
327.2450 81.31250
327.7271 86.38379
328.2092 88.99512
328.6913 87.39746
329.1735 84.88965
329.6556 82.48145
330.1377 78.60449
330.6198 77.83789
331.1019 83.58105
331.5840 91.24707
332.0662 91.76758
332.5483 78.77246
333.0304 67.44043
333.5125 63.15820
333.9946 67.44629
334.4767 70.16309
334.9589 71.49219
335.4410 70.92188
335.9231 67.38379
336.4052 59.75684
336.8873 52.34668
337.3694 46.58398
337.8515 42.40430
338.3336 35.87793
338.8158 24.88965
339.2979 16.52148
339.7800 20.15625
340.2621 38.71289
340.7442 49.41602
341.2263 46.74023
341.7085 34.38086
342.1906 22.59570
342.6727 10.63672
343.1548 3.560547
343.6369 7.826172
344.1190 22.39551
344.6012 31.27441
345.0833 31.57129
345.5654 27.36230
346.0475 25.04199
346.5296 24.53223
347.0117 25.74219
347.4939 30.11133
347.9760 36.14062
348.4581 37.90820
348.9402 34.15723
349.4223 31.66406
349.9044 42.16211
350.3866 61.34766
350.8687 74.62402
351.3508 73.01758
351.8329 63.41211
352.3150 55.48438
352.7971 49.21777
353.2793 44.38965
353.7614 40.50977
354.2435 37.92969
354.7256 37.20703
355.2077 38.80469
355.6898 41.85156
356.1720 48.07715
356.6541 56.01172
357.1362 59.53516
357.6183 49.05566
358.1004 35.83691
358.5826 30.83496
359.0647 38.96387
359.5468 47.98828
360.0289 54.24414
360.5110 56.62695
360.9931 53.00977
361.4753 33.32910
361.9574 14.86719
362.4395 7.864258
362.9216 15.12891
363.4037 21.73145
363.8858 25.34277
364.3680 25.39258
364.8501 21.26953
365.3322 7.555664
365.8143 4.560547
366.2964 11.82812
366.7785 14.18848
367.2607 15.99414
367.7428 20.09570
368.2249 21.94336
368.7070 18.55664
369.1891 0.1259770
369.6712 10.27344
370.1534 6.877930
370.6355 5.290039
371.1176 10.27930
371.5997 5.295898
372.0818 2.713867
372.5639 11.93164
373.0461 24.43555
373.5282 29.98535
374.0103 26.19336
374.4924 17.40625
374.9745 9.874023
375.4566 3.339844
375.9388 1.174805
376.4209 3.271484
376.9030 2.891602
377.3851 9.3750000E-02
377.8672 6.609375
378.3493 12.10645
378.8315 9.499023
379.3136 1.272461
379.7957 6.138672
380.2778 1.9531000E-02
380.7599 11.37695
381.2420 12.07227
381.7242 2.029297
382.2063 7.276367
382.6884 7.042969
383.1705 0.2099610
383.6526 4.583008
384.1347 3.465820
384.6169 3.755859
385.0990 19.29980
385.5811 44.71777
386.0632 62.23926
386.5453 57.69531
387.0274 43.10547
387.5096 32.97949
387.9917 27.62891
388.4738 26.57227
388.9559 34.22070
389.4380 45.15430
389.9201 51.54688
390.4023 46.46387
390.8844 40.31543
391.3665 42.19922
391.8486 49.80273
392.3307 54.11035
392.8128 44.24902
393.2950 33.83008
393.7771 33.45117
394.2592 49.74512
394.7413 62.75977
395.2234 62.29785
395.7055 53.99316
396.1877 47.74023
396.6698 48.81348
397.1519 49.66602
397.6340 47.75879
398.1161 42.72070
398.5982 38.66406
399.0804 35.88281
399.5625 34.08203
400.0446 33.39160
400.5267 38.69141
401.0088 38.19336
401.4909 27.33105
401.9731 9.859375
402.4552 1.072266
402.9373 5.119141
403.4194 11.44629
403.9015 14.59180
404.3836 12.72168
404.8658 15.29199
405.3479 24.15234
405.8300 34.63379
406.3121 38.49414
406.7942 34.24414
407.2763 32.92773
407.7585 39.60840
408.2406 52.12793
408.7227 58.09668
409.2048 56.87500
409.6869 53.26367
410.1690 51.29102
410.6512 50.56738
411.1333 48.54199
411.6154 43.41797
412.0975 39.42090
412.5796 46.52344
413.0617 62.09277
413.5439 73.00000
414.0260 68.30859
414.5081 55.90430
414.9902 46.02148
415.4723 39.33887
415.9544 36.31543
416.4366 41.93555
416.9187 50.67383
417.4008 54.16016
417.8829 43.88477
418.3650 32.10742
418.8471 25.42578
419.3293 23.49414
419.8114 23.14844
420.2935 24.66113
420.7756 26.24023
421.2577 26.53906
421.7398 24.15039
422.2220 22.96777
422.7041 24.74414
423.1862 28.16992
423.6683 30.72656
424.1504 30.57910
424.6325 31.04590
425.1147 34.06055
425.5968 40.37305
426.0789 42.33301
426.5610 38.56543
427.0431 32.26270
427.5252 24.51172
428.0074 11.93262
428.4895 5.847656
428.9716 8.956055
429.4537 18.96094
429.9358 29.45801
430.4179 41.64258
430.9001 49.51172
431.3822 48.87207
431.8643 39.55664
432.3464 28.80273
432.8285 15.29395
433.3106 4.732422
433.7928 7.630859
434.2749 22.09473
434.7570 31.92969
435.2391 30.19141
435.7212 22.41602
436.2033 19.98535
436.6855 22.40918
437.1676 23.86035
437.6497 18.50000
438.1318 10.25195
438.6139 4.906250
439.0960 3.935547
439.5782 4.014648
440.0603 0.9804690
440.5424 2.841797
441.0245 3.219727
441.5066 3.236328
441.9887 11.97363
442.4709 22.38672
442.9530 34.07324
443.4351 40.84277
443.9172 37.49902
444.3993 29.85547
444.8814 22.08984
445.3636 14.13086
445.8457 6.671875
446.3278 2.666016
446.8099 11.36523
447.2920 13.26855
447.7741 0.4003910
448.2563 10.63379
448.7384 14.72559
449.2205 11.18164
449.7026 7.530273
450.1847 4.390625
450.6668 0.7304690
451.1490 5.678711
451.6311 17.25293
452.1132 20.92090
452.5953 11.77832
453.0774 4.270508
453.5595 11.59082
454.0417 9.593750
454.5238 4.628906
455.0059 1.565430
455.4880 8.344727
455.9701 12.08984
456.4522 12.36816
456.9344 10.84961
457.4165 9.055664
457.8986 6.869141
458.3807 3.836914
458.8628 0.8261720
459.3449 5.813477
459.8271 9.721680
460.3092 12.64941
460.7913 15.18848
461.2734 17.07129
461.7555 18.81836
462.2376 21.55273
462.7198 26.02344
463.2019 28.95996
463.6840 26.09082
464.1661 21.64062
464.6482 20.73047
465.1303 30.01367
465.6125 37.15234
466.0946 37.42383
466.5767 31.58789
467.0588 27.69336
467.5409 27.89941
468.0230 28.79785
468.5052 29.00781
468.9873 28.43848
469.4694 27.65039
469.9515 26.37402
470.4336 25.31836
470.9157 25.81445
471.3979 28.73145
471.8800 30.53809
472.3621 29.55762
472.8442 26.94824
473.3263 28.68750
473.8084 35.33984
474.2906 41.77344
474.7727 44.57715
475.2548 43.93164
475.7369 39.98730
476.2190 31.69336
476.7011 23.86035
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1303.531 0.0000000E+00
