#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:40 +0300 (Thu, 24 May 2018) $
#$Revision: 673 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000197.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_1000197
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 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            R050484.rod
_rod_data_source.block           3500000
_rod_database.code               1000197
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
147.4155 0.0000000E+00
147.8976 0.2759400
148.3797 0.7011410
148.8618 0.7759400
149.3439 0.1714170
149.8260 0.1993710
150.3082 0.3536380
150.7903 0.2021180
151.2724 0.3202510
151.7545 1.188690
152.2366 2.012390
152.7188 2.612396
153.2009 3.187622
153.6830 3.948120
154.1651 5.144897
154.6472 6.247314
155.1293 6.886749
155.6115 6.898224
156.0936 7.586334
156.5757 9.029205
157.0578 11.28235
157.5399 14.41193
158.0220 19.01019
158.5042 24.02359
158.9863 29.21442
159.4684 34.64642
159.9505 40.38321
160.4326 45.87988
160.9147 51.51962
161.3969 57.94672
161.8790 66.33395
162.3611 74.90247
162.8432 82.81384
163.3253 89.93033
163.8074 96.28082
164.2896 101.8976
164.7717 106.7502
165.2538 110.7744
165.7359 113.7419
166.2180 115.9764
166.7001 117.6410
167.1823 118.5834
167.6644 119.3439
168.1465 120.1049
168.6286 120.9188
169.1107 121.9622
169.5928 123.9033
170.0750 127.6786
170.5571 132.3226
171.0392 137.5294
171.5213 142.6194
172.0034 146.4554
172.4855 148.9922
172.9677 150.1476
173.4498 152.0447
173.9319 154.2031
174.4140 155.4173
174.8961 154.9221
175.3782 153.8818
175.8604 153.7711
176.3425 154.4439
176.8246 154.7178
177.3067 154.0107
177.7888 152.2436
178.2709 149.2158
178.7531 144.2396
179.2352 138.4196
179.7173 133.2925
180.1994 128.8157
180.6815 124.6593
181.1636 120.9283
181.6458 117.3600
182.1279 113.3095
182.6100 108.3115
183.0921 102.7824
183.5742 97.46561
184.0563 92.48438
184.5385 87.31827
185.0206 81.50278
185.5027 75.07773
185.9848 68.56549
186.4669 61.96912
186.9490 55.40930
187.4312 48.95950
187.9133 42.73880
188.3954 36.66446
188.8775 30.76389
189.3596 25.06763
189.8417 19.55215
190.3239 14.14923
190.8060 8.905060
191.2881 4.298767
191.7702 0.3709410
192.2523 2.861633
192.7344 5.262817
193.2166 6.815277
193.6987 8.052124
194.1808 9.379730
194.6629 10.70694
195.1450 11.02576
195.6271 10.22433
196.1093 8.706818
196.5914 7.167084
197.0735 5.665009
197.5556 3.437958
198.0377 4.7637999E-02
198.5198 4.820557
199.0020 9.433838
199.4841 13.85333
199.9662 18.16171
200.4483 22.51175
200.9304 26.88046
201.4125 31.43677
201.8947 36.41290
202.3768 41.88223
202.8589 46.78656
203.3410 50.90659
203.8231 54.76208
204.3052 59.41171
204.7874 65.11942
205.2695 70.71957
205.7516 75.47559
206.2337 79.26437
206.7158 83.08035
207.1979 87.03189
207.6801 90.92874
208.1622 94.35513
208.6443 97.31781
209.1264 99.86600
209.6085 101.7667
210.0906 102.6588
210.5728 104.6631
211.0549 108.1760
211.5370 112.5464
212.0191 116.1735
212.5012 118.7806
212.9833 121.3899
213.4655 124.4633
213.9476 128.1066
214.4297 131.8326
214.9118 135.4842
215.3939 139.2899
215.8760 143.9427
216.3581 149.5816
216.8403 155.7134
217.3224 162.0334
217.8045 168.4903
218.2866 175.3872
218.7687 182.6847
219.2508 190.4134
219.7330 198.4986
220.2151 206.9250
220.6972 215.6746
221.1793 224.5637
221.6614 233.4178
222.1435 243.0873
222.6257 253.9879
223.1078 265.6002
223.5899 276.7773
224.0720 287.4752
224.5541 297.8585
225.0362 308.3013
225.5184 319.1704
226.0005 328.9696
226.4826 337.3393
226.9647 344.7539
227.4468 352.8429
227.9289 362.1468
228.4111 371.2288
228.8932 379.3854
229.3753 386.1879
229.8574 393.0764
230.3395 400.0293
230.8216 407.0538
231.3038 414.2146
231.7859 421.1956
232.2680 428.7106
232.7501 437.1790
233.2322 447.1755
233.7143 456.8066
234.1965 466.2298
234.6786 475.2904
235.1607 483.7532
235.6428 492.0081
236.1249 499.0730
236.6070 504.5631
237.0892 508.5806
237.5713 510.8234
238.0534 511.6470
238.5355 510.5938
239.0176 506.4261
239.4997 498.3336
239.9819 488.1391
240.4640 476.7264
240.9461 464.2938
241.4282 449.9624
241.9103 433.1975
242.3924 414.7174
242.8746 396.1293
243.3567 377.1556
243.8388 358.5099
244.3209 340.2973
244.8030 322.3913
245.2851 305.7426
245.7673 290.2187
246.2494 276.0127
246.7315 263.6422
247.2136 253.6850
247.6957 244.6442
248.1778 235.8924
248.6600 227.2750
249.1421 219.5563
249.6242 212.5636
250.1063 206.2708
250.5884 200.8582
251.0705 196.4834
251.5527 192.8639
252.0348 190.0535
252.5169 188.3076
252.9990 186.3415
253.4811 183.8714
253.9632 181.5003
254.4454 180.2899
254.9275 180.5660
255.4096 181.3852
255.8917 182.5306
256.3738 183.8669
256.8560 185.3385
257.3381 186.7451
257.8202 188.4170
258.3023 191.0280
258.7844 195.1146
259.2665 198.9316
259.7487 201.7677
260.2308 203.3635
260.7129 205.7504
261.1950 209.1457
261.6771 213.1400
262.1592 217.0538
262.6414 220.5753
263.1235 224.7072
263.6056 229.7885
264.0877 235.9103
264.5698 241.9868
265.0519 247.8886
265.5341 253.8875
266.0162 260.3913
266.4983 267.4619
266.9804 274.7654
267.4625 282.1843
267.9446 289.6679
268.4268 298.0220
268.9089 307.5354
269.3910 317.1853
269.8731 325.8269
270.3552 333.0734
270.8373 340.7001
271.3195 349.5273
271.8016 359.2938
272.2837 367.5365
272.7658 374.1717
273.2479 379.6587
273.7300 384.6333
274.2122 389.2349
274.6943 392.3741
275.1764 393.9199
275.6585 393.8573
276.1406 392.0270
276.6227 388.3772
277.1049 383.1249
277.5870 376.4366
278.0691 368.3184
278.5512 358.5528
279.0333 346.7682
279.5154 333.5157
279.9976 320.5899
280.4797 308.0381
280.9618 295.5566
281.4439 282.7001
281.9260 269.5390
282.4081 255.7011
282.8903 240.8396
283.3724 225.6045
283.8545 211.4424
284.3366 198.3628
284.8187 186.1747
285.3008 175.1059
285.7830 164.9907
286.2651 155.1490
286.7472 145.4350
287.2293 135.9743
287.7114 126.8544
288.1935 118.0790
288.6757 110.0257
289.1578 103.2642
289.6399 97.52016
290.1220 91.76373
290.6041 85.85712
291.0862 80.04276
291.5684 74.63008
292.0505 69.58777
292.5326 64.90134
293.0147 60.52118
293.4968 56.47249
293.9789 52.65683
294.4611 49.11177
294.9432 45.82657
295.4253 42.82996
295.9074 40.09612
296.3895 37.60512
296.8716 35.44228
297.3538 33.46497
297.8359 31.31561
298.3180 28.95766
298.8001 26.68861
299.2822 24.77156
299.7643 23.12238
300.2465 21.56004
300.7286 19.99318
301.2107 18.49994
301.6928 17.14954
302.1749 15.95908
302.6570 14.89337
303.1392 13.99330
303.6213 13.20439
304.1034 12.47371
304.5855 11.76575
305.0676 11.10611
305.5497 10.48134
306.0319 9.901047
306.5140 9.341461
306.9961 8.755035
307.4782 8.212189
307.9603 7.785660
308.4424 7.521805
308.9246 7.338379
309.4067 7.249741
309.8888 7.205475
310.3709 7.046722
310.8530 6.573318
311.3351 6.018372
311.8173 5.631119
312.2994 5.539413
312.7815 5.307571
313.2636 4.491867
313.7457 3.380234
314.2278 2.478500
314.7100 2.227905
315.1921 2.112076
315.6742 1.778473
316.1563 1.142807
316.6384 0.6289370
317.1205 0.6656650
317.6027 0.8819430
318.0848 0.8112030
318.5669 2.1225000E-02
319.0490 0.8351900
319.5311 1.546600
320.0132 2.099655
320.4954 2.489105
320.9775 2.620926
321.4596 2.627350
321.9417 2.607330
322.4238 2.466049
322.9059 2.421860
323.3881 2.608154
323.8702 2.991333
324.3523 3.239792
324.8344 3.194489
325.3165 3.070389
325.7986 2.999893
326.2808 3.137146
326.7629 3.154755
327.2450 2.921585
327.7271 2.524445
328.2092 2.304626
328.6913 2.391418
329.1735 2.539261
329.6556 2.687851
330.1377 3.001877
330.6198 2.999420
331.1019 2.451050
331.5840 1.655289
332.0662 1.190643
332.5483 1.269501
333.0304 1.382935
333.5125 1.387787
333.9946 1.302338
334.4767 1.051575
334.9589 0.5528870
335.4410 3.5918999E-02
335.9231 0.5595250
336.4052 1.107605
336.8873 1.323334
337.3694 0.9471280
337.8515 4.4112999E-02
338.3336 0.1837770
338.8158 0.4933010
339.2979 1.376038
339.7800 1.800491
340.2621 1.692184
340.7442 1.622513
341.2263 1.699814
341.7085 1.893036
342.1906 2.117340
342.6727 2.374420
343.1548 2.632767
343.6369 2.834595
344.1190 2.992218
344.6012 3.320572
345.0833 3.924004
345.5654 4.542343
346.0475 4.606018
346.5296 4.153328
347.0117 3.772629
347.4939 3.792610
347.9760 4.136871
348.4581 4.625862
348.9402 5.284485
349.4223 5.914322
349.9044 6.277374
350.3866 6.419899
350.8687 6.505035
351.3508 6.493317
351.8329 6.513321
352.3150 6.829842
352.7971 7.433083
353.2793 8.015549
353.7614 8.266968
354.2435 8.354584
354.7256 8.565331
355.2077 9.108467
355.6898 9.647713
356.1720 9.857948
356.6541 9.792610
357.1362 9.692932
357.6183 9.602264
358.1004 9.586548
358.5826 9.734581
359.0647 10.13621
359.5468 10.50531
360.0289 10.72591
360.5110 10.81020
360.9931 10.76802
361.4753 10.18453
361.9574 9.805191
362.4395 10.17255
362.9216 11.49231
363.4037 12.54498
363.8858 12.89190
364.3680 12.81947
364.8501 12.62921
365.3322 12.26529
365.8143 11.92519
366.2964 11.59866
366.7785 11.28922
367.2607 11.20033
367.7428 11.45910
368.2249 11.87336
368.7070 12.33398
369.1891 13.13275
369.6712 13.57452
370.1534 13.40101
370.6355 12.84779
371.1176 12.67271
371.5997 13.16236
372.0818 13.65569
372.5639 13.89237
373.0461 13.80370
373.5282 13.66339
374.0103 13.45271
374.4924 13.18834
374.9745 12.83784
375.4566 12.26176
375.9388 12.06730
376.4209 12.59629
376.9030 13.74122
377.3851 14.22786
377.8672 13.97521
378.3493 13.41589
378.8315 12.92606
379.3136 12.51270
379.7957 12.13136
380.2778 11.75882
380.7599 11.44452
381.2420 11.34624
381.7242 11.44616
382.2063 11.52785
382.6884 11.46686
383.1705 11.29421
383.6526 11.05220
384.1347 10.69798
384.6169 10.37598
385.0990 10.40162
385.5811 10.66156
386.0632 10.73672
386.5453 10.18255
387.0274 9.419350
387.5096 9.063019
387.9917 9.106819
388.4738 9.182137
388.9559 9.077194
389.4380 8.853279
389.9201 8.533653
390.4023 7.925522
390.8844 7.395531
391.3665 7.327271
391.8486 7.595169
392.3307 7.721695
392.8128 7.266037
393.2950 6.755554
393.7771 6.535744
394.2592 6.704018
394.7413 6.980827
395.2234 7.577034
395.7055 8.119644
396.1877 8.114090
396.6698 6.673988
397.1519 5.499413
397.6340 5.253624
398.1161 6.091072
398.5982 6.566551
399.0804 6.239136
399.5625 5.733337
400.0446 5.505348
400.5267 5.874725
401.0088 6.056587
401.4909 5.900383
401.9731 5.503296
402.4552 5.263542
402.9373 5.256554
403.4194 5.290947
403.9015 5.256737
404.3836 5.104782
404.8658 5.090065
405.3479 5.299065
405.8300 5.535507
406.3121 5.423714
406.7942 4.890182
407.2763 4.532463
407.7585 4.623528
408.2406 5.054062
408.7227 5.177887
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409.6869 4.711052
410.1690 4.744698
410.6512 5.012268
411.1333 5.256409
411.6154 5.452026
412.0975 5.542213
412.5796 5.356987
413.0617 4.951767
413.5439 4.592041
414.0260 4.449989
414.5081 4.433838
414.9902 4.398277
415.4723 4.325249
415.9544 4.332489
416.4366 4.777626
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417.4008 5.416206
417.8829 4.277748
418.3650 3.172470
418.8471 2.957741
419.3293 3.498901
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420.2935 3.980865
420.7756 3.858360
421.2577 3.865868
421.7398 4.202156
422.2220 4.361969
422.7041 4.027824
423.1862 3.476204
423.6683 3.204849
424.1504 3.633743
424.6325 3.989952
425.1147 4.047447
425.5968 3.774246
426.0789 3.519890
426.5610 3.258377
427.0431 3.040222
427.5252 2.916931
428.0074 2.945786
428.4895 2.926529
428.9716 2.837387
429.4537 2.690262
429.9358 2.458443
430.4179 2.065071
430.9001 1.873085
431.3822 2.223679
431.8643 3.130905
432.3464 3.543617
432.8285 3.379730
433.3106 2.978752
433.7928 2.743820
434.2749 2.660698
434.7570 2.580025
435.2391 2.426262
435.7212 2.262184
436.2033 2.318520
436.6855 2.558304
437.1676 2.610069
437.6497 1.856071
438.1318 0.8536300
438.6139 0.5664750
439.0960 1.321205
439.5782 2.127686
440.0603 2.010284
440.5424 1.397873
441.0245 1.085266
441.5066 1.771942
441.9887 2.556473
442.4709 2.941856
442.9530 2.918152
443.4351 2.719116
443.9172 2.238976
444.3993 1.733421
444.8814 1.383003
445.3636 1.206284
445.8457 1.186638
446.3278 1.466217
446.8099 1.909630
447.2920 2.174026
447.7741 2.131935
448.2563 2.044571
448.7384 1.989655
449.2205 1.979622
449.7026 1.929192
450.1847 1.815697
450.6668 1.689766
451.1490 1.642090
451.6311 1.693199
452.1132 1.808121
452.5953 2.067909
453.0774 2.329689
453.5595 2.128693
454.0417 1.408188
454.5238 0.7142720
455.0059 0.3735960
455.4880 0.3316570
455.9701 0.3448720
456.4522 0.4000700
456.9344 0.5196840
457.4165 0.8167040
457.8986 1.210342
458.3807 1.462227
458.8628 1.494789
459.3449 1.356522
459.8271 0.9667970
460.3092 0.4043430
460.7913 2.0339999E-02
461.2734 0.1251600
461.7555 0.4573060
462.2376 0.8787990
462.7198 1.431473
463.2019 1.765121
463.6840 1.545029
464.1661 1.060188
464.6482 0.6755070
465.1303 0.5127560
465.6125 0.4445040
466.0946 0.5499420
466.5767 0.7576750
467.0588 0.7201460
467.5409 2.0012001E-02
468.0230 0.5165020
468.5052 0.4698330
468.9873 0.5415340
469.4694 1.176437
469.9515 1.326767
470.4336 1.197838
470.9157 1.040115
471.3979 0.8145600
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