#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:39 +0300 (Thu, 26 Apr 2018) $
#$Revision: 461 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000028.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_1000028
loop_
_publ_author_name
'Effenberger, H.'
_publ_section_title
;
 Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              326
_journal_page_last               337
_journal_volume                  136
_journal_year                    1979
_chemical_compound_source        R050484
_chemical_formula_sum            'C13 Ba6 Ca6 Mg O39'
_chemical_name_mineral           Benstonite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   18.280
_cell_length_b                   18.280
_cell_length_c                   8.652
_cell_volume                     2503.799
_exptl_crystal_density_diffrn    3.718
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ba6 Ca6 Mg O39 C13'
_cod_database_code               9009253
_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            R050484.rod
_rod_data_source.block           3500000
_rod_database.code               1000028
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 9009253 COD http://www.crystallography.net/cod/9009253.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
146.8161 0.0000000E+00
147.2982 1.296844
147.7803 2.825897
148.2624 4.205978
148.7445 5.042175
149.2267 5.362381
149.7088 5.610565
150.1909 5.738586
150.6730 6.003418
151.1551 6.672195
151.6372 7.610153
152.1194 7.488373
152.6015 6.810455
153.0836 5.779037
153.5657 4.625687
154.0478 3.027298
154.5299 1.501297
155.0121 0.3731840
155.4942 0.2860720
155.9763 0.5601500
156.4584 0.4655300
156.9405 1.6571000E-02
157.4226 0.5885470
157.9048 1.403381
158.3869 2.400223
158.8690 3.412231
159.3511 4.206268
159.8332 5.213882
160.3153 7.014511
160.7975 9.593079
161.2796 12.18845
161.7617 14.32555
162.2438 16.04356
162.7259 17.70808
163.2081 19.44749
163.6902 21.13412
164.1723 22.73560
164.6544 24.25296
165.1365 25.54048
165.6186 26.34514
166.1008 26.52589
166.5829 26.87857
167.0650 27.67993
167.5471 28.68562
168.0292 29.74159
168.5113 30.82233
168.9935 32.08290
169.4756 33.71622
169.9577 35.82268
170.4398 38.41536
170.9219 41.43915
171.4040 44.25217
171.8862 46.75339
172.3683 49.20662
172.8504 51.18024
173.3325 52.63217
173.8146 53.88329
174.2967 54.90115
174.7789 55.74977
175.2610 56.41687
175.7431 56.98045
176.2252 57.52718
176.7073 57.96594
177.1894 57.97096
177.6716 57.57379
178.1537 56.77733
178.6358 55.30733
179.1179 53.44025
179.6000 51.68855
180.0821 50.32933
180.5643 49.23141
181.0464 48.00783
181.5285 46.78174
182.0106 45.27840
182.4927 43.18898
182.9748 40.63815
183.4570 38.21182
183.9391 36.30261
184.4212 34.61938
184.9033 32.55650
185.3854 29.93266
185.8675 27.21349
186.3497 24.84607
186.8318 22.84439
187.3139 20.68518
187.7960 17.89436
188.2781 14.92012
188.7602 12.27679
189.2424 10.09404
189.7245 8.167969
190.2066 6.198685
190.6887 4.097229
191.1708 2.276031
191.6530 0.9789280
192.1351 3.3248998E-02
192.6172 0.9266820
193.0993 1.748764
193.5814 2.496231
194.0635 3.198120
194.5457 4.040283
195.0278 4.413666
195.5099 3.952454
195.9920 3.158066
196.4741 2.552216
196.9562 2.379913
197.4384 2.426727
197.9205 2.075653
198.4026 1.163605
198.8847 1.2451000E-02
199.3668 1.397476
199.8489 2.975555
200.3311 4.675156
200.8132 6.481003
201.2953 8.326828
201.7774 9.932281
202.2595 10.74345
202.7416 11.94188
203.2238 13.88124
203.7059 16.23511
204.1880 18.58606
204.6701 20.97249
205.1522 23.15898
205.6343 25.26796
206.1165 27.32738
206.5986 29.30627
207.0807 31.13828
207.5628 32.88766
208.0449 34.68330
208.5270 36.60133
209.0092 38.59637
209.4913 40.46851
209.9734 42.30109
210.4555 43.96092
210.9376 45.29671
211.4197 46.39989
211.9019 47.52290
212.3840 48.74843
212.8661 50.10960
213.3482 51.63329
213.8303 53.25685
214.3124 55.12893
214.7946 57.46512
215.2767 60.17529
215.7588 62.78844
216.2409 65.00341
216.7230 67.07534
217.2052 69.46719
217.6873 72.20918
218.1694 75.20468
218.6515 78.38063
219.1336 81.74388
219.6157 85.32436
220.0979 89.29797
220.5800 93.42762
221.0621 97.44273
221.5442 101.2921
222.0263 105.1225
222.5084 109.0944
222.9906 113.2397
223.4727 117.3381
223.9548 121.1634
224.4369 124.9981
224.9190 129.1132
225.4011 133.5972
225.8833 138.0705
226.3654 142.0124
226.8475 145.2316
227.3296 148.7685
227.8117 152.9991
228.2938 157.5068
228.7760 162.1052
229.2581 166.7580
229.7402 171.3385
230.2223 175.6354
230.7044 179.5336
231.1865 183.5654
231.6687 187.9200
232.1508 192.3147
232.6329 196.4353
233.1150 200.2971
233.5971 204.2934
234.0792 209.1316
234.5614 215.4749
235.0435 220.9931
235.5256 225.8678
236.0077 229.9050
236.4898 232.9103
236.9719 234.8639
237.4541 235.9462
237.9362 236.4548
238.4183 236.7494
238.9004 235.3824
239.3825 232.3776
239.8646 228.0730
240.3468 222.4714
240.8289 215.6692
241.3110 208.1013
241.7931 200.1561
242.2752 191.7872
242.7573 183.2355
243.2395 173.9075
243.7216 164.8744
244.2037 156.9491
244.6858 150.1738
245.1679 143.8474
245.6501 137.1234
246.1322 129.7054
246.6143 123.2898
247.0964 118.2008
247.5785 113.7156
248.0606 109.3162
248.5428 104.9898
249.0249 101.0873
249.5070 98.07266
249.9891 96.11376
250.4712 93.60913
250.9533 89.91573
251.4355 86.21185
251.9176 83.21853
252.3997 80.97028
252.8818 79.20890
253.3639 77.80553
253.8460 76.81399
254.3282 76.05975
254.8103 75.75456
255.2924 75.45345
255.7745 74.79821
256.2566 73.85853
256.7387 73.08482
257.2209 72.77113
257.7030 72.87237
258.1851 73.00115
258.6672 73.18438
259.1493 73.36572
259.6314 73.46581
260.1136 73.49318
260.5957 73.56068
261.0778 73.69608
261.5599 73.95181
262.0420 74.39040
262.5241 74.99228
263.0063 75.78363
263.4884 76.77670
263.9705 77.97406
264.4526 79.41061
264.9347 81.21510
265.4168 83.20895
265.8990 85.00432
266.3811 86.53190
266.8632 88.04613
267.3453 89.49816
267.8274 90.96295
268.3095 93.15056
268.7917 96.69249
269.2738 100.7712
269.7559 104.2201
270.2380 106.9287
270.7201 109.5263
271.2022 112.4854
271.6844 115.7347
272.1665 118.9013
272.6486 122.1325
273.1307 124.9153
273.6128 126.7625
274.0949 127.6936
274.5771 128.4132
275.0592 129.6228
275.5413 131.1225
276.0234 131.7599
276.5055 131.2503
276.9876 129.9037
277.4698 128.0692
277.9519 125.7614
278.4340 123.0239
278.9161 119.7314
279.3982 115.9880
279.8803 112.2253
280.3625 108.6431
280.8446 104.7467
281.3267 100.0637
281.8088 94.89610
282.2909 89.92374
282.7730 85.63702
283.2552 81.75119
283.7373 77.62223
284.2194 73.11102
284.7015 68.64897
285.1836 64.24481
285.6658 60.01137
286.1479 56.11862
286.6300 52.70940
287.1121 49.64996
287.5942 46.63673
288.0764 43.57764
288.5585 40.79232
289.0406 38.51095
289.5227 36.49552
290.0048 34.55599
290.4869 32.61324
290.9691 30.66983
291.4512 28.66288
291.9333 26.49711
292.4154 24.59531
292.8975 23.23049
293.3796 22.07309
293.8618 20.86439
294.3439 19.53836
294.8260 18.29446
295.3081 17.46256
295.7902 17.16227
296.2723 16.71645
296.7545 15.82967
297.2366 14.89590
297.7187 14.17291
298.2008 13.66707
298.6829 13.16400
299.1650 12.39072
299.6472 11.29189
300.1293 10.41905
300.6114 10.04459
301.0935 9.705872
301.5756 9.140923
302.0577 8.416428
302.5399 7.780060
303.0220 7.434822
303.5041 7.374496
303.9862 7.445137
304.4683 7.875801
304.9504 8.165462
305.4326 8.090874
305.9147 7.759007
306.3968 7.367111
306.8789 7.021568
307.3610 6.712845
307.8431 6.392563
308.3253 5.893883
308.8074 5.683720
309.2895 6.069908
309.7716 6.706268
310.2537 7.196926
310.7358 7.372070
311.2180 7.306637
311.7001 7.166168
312.1822 6.963856
312.6643 6.636971
313.1464 5.988522
313.6285 5.329834
314.1107 4.986378
314.5928 5.032890
315.0749 5.136433
315.5570 4.753559
316.0391 3.686108
316.5212 2.859474
317.0034 2.537621
317.4855 2.341572
317.9676 2.087898
318.4497 1.757687
318.9318 1.429394
319.4139 1.206646
319.8961 1.112114
320.3782 0.9158440
320.8603 0.3672030
321.3424 4.3292999E-02
321.8245 2.1060000E-03
322.3066 0.3432920
322.7888 0.6103780
323.2709 0.5000150
323.7530 6.5853000E-02
324.2351 0.2788430
324.7172 0.5032390
325.1993 0.6695940
325.6815 0.7909930
326.1636 0.8805730
326.6457 0.9558300
327.1278 1.020538
327.6099 1.082092
328.0920 1.174084
328.5742 1.351021
329.0563 1.436375
329.5384 1.319603
330.0205 1.143974
330.5026 1.024178
330.9847 0.9937740
331.4669 1.021935
331.9490 1.096920
332.4311 1.254372
332.9132 1.306248
333.3953 1.075527
333.8774 0.8393170
334.3596 0.7537310
334.8417 0.8224330
335.3238 0.9417150
335.8059 1.035492
336.2880 1.106689
336.7701 1.128822
337.2523 1.096836
337.7344 1.010490
338.2165 0.8488310
338.6986 0.6362420
339.1807 0.4771800
339.6628 0.6752510
340.1450 0.6478828
340.6271 0.9106575
341.1092 1.027792
341.5913 1.007102
342.0735 0.4358039
342.5556 0.5755004
343.0377 0.4302701
343.5198 0.2733516
344.0019 0.5131204
344.4840 2.1913670E-02
344.9662 0.2221600
345.4483 0.2041510
345.9304 0.3027570
346.4125 0.4264110
346.8946 0.5058480
347.3767 0.5298080
347.8589 0.5554430
348.3410 0.6605830
348.8231 0.8408660
349.3052 0.9406700
349.7873 0.8305890
350.2694 0.7593270
350.7516 0.9248390
351.2337 1.284519
351.7158 1.646240
352.1979 1.933540
352.6800 2.137016
353.1621 2.209099
353.6443 2.105946
354.1264 1.968060
354.6085 1.816982
355.0906 1.694439
355.5727 1.686630
356.0548 1.855373
356.5370 2.112988
357.0191 2.382435
357.5012 2.676643
357.9833 2.846975
358.4654 2.716757
358.9475 2.497105
359.4297 2.454609
359.9118 2.640339
360.3939 2.839756
360.8760 2.879602
361.3581 2.793371
361.8402 2.746725
362.3224 2.795383
362.8045 2.872246
363.2866 2.853096
363.7687 2.753578
364.2508 2.797974
364.7329 3.283752
365.2151 3.906338
365.6972 4.073952
366.1793 3.664398
366.6614 3.239262
367.1435 3.273420
367.6256 3.635927
368.1078 3.913109
368.5899 4.044376
369.0720 4.075968
369.5541 3.977087
370.0362 3.776518
370.5183 3.684807
371.0005 3.843536
371.4826 4.132595
371.9647 4.278826
372.4468 4.252012
372.9289 4.186184
373.4110 4.079771
373.8932 3.974264
374.3753 3.982735
374.8574 4.150820
375.3395 4.346447
375.8216 4.407207
376.3037 4.324593
376.7859 4.170094
377.2680 3.775129
377.7501 3.431595
378.2322 3.456644
378.7143 3.828127
379.1964 4.213591
379.6786 4.373755
380.1607 4.328341
380.6428 4.318943
381.1249 4.474672
381.6070 4.516848
382.0891 4.221212
382.5713 3.747585
383.0534 3.401724
383.5355 3.317049
384.0176 3.410843
384.4997 3.505638
384.9818 3.615993
385.4640 3.705582
385.9461 3.800138
386.4282 3.848719
386.9103 3.821007
387.3924 3.723421
387.8745 3.561605
388.3567 3.317921
388.8388 2.957230
389.3209 2.726223
389.8030 2.725277
390.2851 2.716242
390.7672 2.634327
391.2494 2.499746
391.7315 2.309196
392.2136 2.039888
392.6957 1.738539
393.1778 1.632406
393.6599 1.945791
394.1421 2.147287
394.6242 2.148937
395.1063 2.056555
395.5884 1.939545
396.0706 1.830153
396.5527 1.765047
397.0348 1.818087
397.5169 2.036165
397.9990 2.070974
398.4811 1.837601
398.9633 1.597603
399.4454 1.454659
399.9275 1.386112
400.4096 1.330383
400.8917 1.250650
401.3738 1.165918
401.8560 1.142111
402.3381 1.224392
402.8202 1.281773
403.3023 1.280811
403.7844 1.241426
404.2665 1.158100
404.7487 1.022322
405.2308 0.9016020
405.7129 0.8797260
406.1950 0.9595150
406.6771 1.122660
407.1592 1.495710
407.6414 1.811626
408.1235 1.858171
408.6056 1.669239
409.0877 1.444536
409.5698 1.280666
410.0519 1.164373
410.5341 1.047134
411.0162 0.9067130
411.4983 0.8518620
411.9804 1.048834
412.4625 1.348742
412.9446 1.471111
413.4268 1.206377
413.9089 1.041445
414.3910 1.643152
414.8731 2.783173
415.3552 3.271402
415.8373 2.514000
416.3195 1.283478
416.8016 0.7557830
417.2837 0.9354190
417.7658 1.162800
418.2479 1.348604
418.7300 1.446518
419.2122 1.341633
419.6943 1.035879
420.1764 0.7716880
420.6585 0.7669790
421.1406 0.9896130
421.6227 1.055637
422.1049 0.7819400
422.5870 0.5711060
423.0691 0.6393360
423.5512 0.8686410
424.0333 1.034977
424.5154 1.047432
424.9976 0.9981190
425.4797 1.061775
425.9618 1.353035
426.4439 1.522789
426.9260 1.522772
427.4081 1.444221
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428.3724 1.151468
428.8545 1.039324
429.3366 1.049303
429.8187 1.169779
430.3008 1.153461
430.7830 0.8064400
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431.7472 0.3868850
432.2293 0.3510170
432.7114 0.4324440
433.1935 0.6281280
433.6757 0.8388040
434.1578 0.8867740
434.6399 0.6726880
435.1220 0.5544620
435.6041 0.7089480
436.0862 0.8576810
436.5684 0.8284030
437.0505 0.6654090
437.5326 0.5507550
438.0147 0.6590880
438.4968 0.8975050
438.9789 0.8951680
439.4611 0.5159550
439.9432 0.2285480
440.4253 0.2938420
440.9074 0.5226120
441.3895 0.7546410
441.8716 0.9712070
442.3538 1.115795
442.8359 1.087658
443.3180 0.9217970
443.8001 0.8435310
444.2822 0.9401130
444.7643 1.051123
445.2465 0.9787710
445.7286 0.7685950
446.2107 0.6322880
446.6928 0.7162360
447.1749 0.8404200
447.6570 0.8032910
448.1392 0.6173670
448.6213 0.4321170
449.1034 0.3244820
449.5855 0.2722380
450.0677 0.2096440
450.5498 0.1067730
451.0319 5.5716000E-02
451.5140 6.8324998E-02
451.9961 0.1524940
452.4782 0.3916400
452.9604 0.7797530
453.4425 1.085014
453.9246 1.026085
454.4067 0.5594770
454.8888 0.2446080
455.3709 9.6685000E-02
455.8531 5.7905000E-02
456.3352 0.1985380
456.8173 0.4071240
457.2994 0.5248070
457.7815 0.4811950
458.2636 0.3309000
458.7458 0.1760040
459.2279 1.9112000E-02
459.7100 0.1400180
460.1921 0.1395630
460.6742 0.1110020
461.1563 0.1285610
461.6385 0.1743640
462.1206 0.1614930
462.6027 6.1740000E-03
463.0848 0.2553620
463.5669 0.4387170
464.0490 0.5382750
464.5312 0.5691910
465.0133 0.4923900
465.4954 0.3747580
465.9775 0.2804160
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