#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:15 +0300 (Thu, 07 Jun 2018) $
#$Revision: 938 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000409.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_1000409
loop_
_publ_author_name
'Rastsvetaeva, R. K.'
'Chukanov, N. V.'
_publ_section_title
;
 Crystal structure and microtwinning of a new mineral clinobarylite,
 BaBe2Si2O7
;
_journal_name_full               'Doklady Akademii Nauk'
_journal_page_first              205
_journal_page_last               207
_journal_volume                  388
_journal_year                    2003
_chemical_compound_source        R060620
_chemical_formula_sum            'Ba Be2 O7 Si2'
_chemical_name_mineral           Clinobarylite
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2x'
_symmetry_space_group_name_H-M   'P m 1 1'
_cell_angle_alpha                89.94
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.618
_cell_length_b                   4.904
_cell_length_c                   4.655
_cell_volume                     265.217
_exptl_crystal_density_diffrn    4.051
_cod_original_formula_sum        'Ba Be2 Si2 O7'
_cod_database_code               9016137
_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            R060620.rod
_rod_data_source.block           3500000
_rod_database.code               1000409
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 9016137 COD http://www.crystallography.net/cod/9016137.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
178.7195 0.0000000E+00
179.2017 0.4368440
179.6838 0.7628630
180.1659 3.549911
180.6480 6.984314
181.1301 11.35886
181.6122 17.11203
182.0944 24.07301
182.5765 31.98827
183.0586 39.44939
183.5407 47.89209
184.0228 60.24652
184.5049 76.11362
184.9871 96.91309
185.4692 124.2586
185.9513 157.9872
186.4334 196.1081
186.9155 237.9292
187.3976 283.7465
187.8798 336.8323
188.3619 398.4438
188.8440 460.5337
189.3261 519.6337
189.8082 574.8159
190.2903 603.3690
190.7725 587.8163
191.2546 533.4336
191.7367 468.3644
192.2188 390.7241
192.7009 310.6308
193.1830 244.6892
193.6652 192.9706
194.1473 151.6200
194.6294 120.5374
195.1115 99.48526
195.5936 84.87640
196.0757 77.11049
196.5579 73.89743
197.0400 71.93248
197.5221 70.55716
198.0042 71.64088
198.4863 75.74940
198.9684 82.87750
199.4506 90.54041
199.9327 98.91504
200.4148 107.2114
200.8969 114.6827
201.3790 122.1385
201.8611 125.0615
202.3433 119.7875
202.8254 105.7010
203.3075 90.59360
203.7896 74.42126
204.2717 58.22359
204.7538 44.83507
205.2360 34.42415
205.7181 26.09235
206.2002 19.39883
206.6823 14.36040
207.1644 10.86491
207.6465 9.217468
208.1287 8.927505
208.6108 8.662720
209.0929 8.595734
209.5750 8.083435
210.0571 6.626251
210.5392 4.010727
211.0214 1.432480
211.5035 1.038116
211.9856 3.381836
212.4677 5.765121
212.9498 8.503738
213.4319 10.44550
213.9140 10.93155
214.3962 10.19794
214.8783 8.450089
215.3604 4.867538
215.8425 0.1567990
216.3246 3.246536
216.8067 5.163635
217.2889 6.817093
217.7710 8.873871
218.2531 12.05968
218.7352 13.95708
219.2173 13.74231
219.6994 12.08559
220.1816 12.29231
220.6637 15.16154
221.1458 18.48834
221.6279 20.80374
222.1100 21.66986
222.5921 23.17812
223.0743 25.59727
223.5564 28.72835
224.0385 31.72888
224.5206 33.86211
225.0027 36.62279
225.4848 41.23222
225.9670 47.73647
226.4491 54.93623
226.9312 63.33505
227.4133 72.68379
227.8954 83.38229
228.3775 94.76923
228.8597 108.7221
229.3418 125.8092
229.8239 145.3031
230.3060 169.3690
230.7881 197.9741
231.2702 231.2966
231.7524 269.7599
232.2345 316.1254
232.7166 362.9813
233.1987 408.7336
233.6808 466.5213
234.1629 493.5817
234.6451 481.9279
235.1272 437.2370
235.6093 382.1326
236.0914 307.3254
236.5735 234.8796
237.0556 176.9353
237.5378 136.4215
238.0199 104.2347
238.5020 81.46609
238.9841 66.56825
239.4662 54.46779
239.9483 46.02025
240.4305 39.17522
240.9126 32.78844
241.3947 26.60165
241.8768 21.44775
242.3589 17.50275
242.8410 14.61319
243.3232 12.22334
243.8053 10.54530
244.2874 9.088486
244.7695 7.563278
245.2516 5.605469
245.7337 4.402725
246.2159 4.398636
246.6980 5.112015
247.1801 4.937698
247.6622 3.275711
248.1443 1.620102
248.6264 0.7084810
249.1086 0.8161010
249.5907 1.018707
250.0728 1.483276
250.5549 1.985825
251.0370 1.837189
251.5191 0.5379790
252.0013 0.6150510
252.4834 0.9881740
252.9655 0.1490630
253.4476 0.3331600
253.9297 0.2959140
254.4118 3.4180000E-02
254.8940 0.2000270
255.3761 0.3374020
255.8582 4.1306000E-02
256.3403 0.9717860
256.8224 3.031433
257.3046 4.652557
257.7867 5.563248
258.2688 6.188766
258.7509 7.345459
259.2330 9.103394
259.7151 11.22636
260.1973 13.91260
260.6794 17.55423
261.1615 19.83702
261.6436 20.73836
262.1257 20.29303
262.6078 18.23071
263.0900 13.79713
263.5721 9.603714
264.0542 6.613510
264.5363 4.943527
265.0184 3.508682
265.5005 2.301254
265.9827 1.310516
266.4648 0.5139620
266.9469 5.2611999E-02
267.4290 0.5122990
267.9111 0.9264530
268.3932 1.303070
268.8754 1.474869
269.3575 1.482971
269.8396 1.442459
270.3217 1.377655
270.8038 1.217575
271.2859 1.463730
271.7681 2.401459
272.2502 3.908844
272.7323 4.319061
273.2144 3.133774
273.6965 1.544922
274.1786 1.272186
274.6608 2.681610
275.1429 3.626541
275.6250 3.446167
276.1071 2.313339
276.5892 1.506744
277.0714 1.066589
277.5535 0.8724820
278.0356 0.9461980
278.5177 1.344177
278.9998 1.449905
279.4819 1.175568
279.9641 0.5095830
280.4462 0.8410800
280.9283 3.106201
281.4104 5.077896
281.8925 5.465729
282.3746 4.241364
282.8568 3.674927
283.3389 4.366455
283.8210 5.774017
284.3031 6.396561
284.7852 6.189224
285.2673 5.622803
285.7495 4.949722
286.2316 4.180878
286.7137 3.352142
287.1958 2.353516
287.6779 1.471832
288.1600 1.453094
288.6422 2.309631
289.1243 3.209412
289.6064 3.517105
290.0885 3.367599
290.5706 3.509689
291.0527 4.096283
291.5349 4.770554
292.0170 4.843704
292.4991 4.371262
292.9812 4.017487
293.4633 4.090759
293.9454 4.560883
294.4276 5.493500
294.9097 6.991928
295.3918 8.465164
295.8739 9.012238
296.3560 8.804001
296.8381 8.673782
297.3203 9.062546
297.8024 9.789612
298.2845 10.51605
298.7666 11.24037
299.2487 11.95062
299.7308 12.67909
300.2130 13.40097
300.6951 14.03053
301.1772 14.44072
301.6593 14.78302
302.1414 15.19722
302.6235 15.68320
303.1057 16.44630
303.5878 18.01244
304.0699 19.94121
304.5520 21.33896
305.0341 21.34026
305.5162 21.20309
305.9984 22.38899
306.4805 24.73898
306.9626 27.23343
307.4447 29.10886
307.9268 30.70656
308.4089 32.39474
308.8911 34.17081
309.3732 36.09688
309.8553 38.25661
310.3374 40.67186
310.8195 43.39441
311.3016 46.50012
311.7838 49.75079
312.2659 52.91617
312.7480 55.78055
313.2301 58.97589
313.7122 62.85579
314.1943 67.44511
314.6765 72.64629
315.1586 78.55441
315.6407 84.83704
316.1228 91.24155
316.6049 97.54987
317.0870 104.6633
317.5692 113.0477
318.0513 122.4069
318.5334 132.2838
319.0155 141.6929
319.4976 152.3092
319.9797 164.7310
320.4619 179.0187
320.9440 194.9606
321.4261 212.7997
321.9082 231.9819
322.3903 251.9052
322.8724 271.6842
323.3546 292.9095
323.8367 315.5334
324.3188 339.6139
324.8009 366.6781
325.2830 396.6649
325.7651 429.6270
326.2473 465.5331
326.7294 506.3018
327.2115 547.8503
327.6936 591.9217
328.1757 637.0419
328.6578 677.8286
329.1400 714.2448
329.6221 746.3397
330.1042 773.8146
330.5863 789.5747
331.0684 812.7200
331.5505 842.1395
332.0327 878.9098
332.5148 925.7681
332.9969 987.9559
333.4790 1053.598
333.9611 1120.372
334.4432 1189.080
334.9254 1256.675
335.4075 1327.493
335.8896 1392.654
336.3717 1440.827
336.8538 1473.205
337.3359 1484.570
337.8180 1472.519
338.3001 1437.371
338.7823 1383.936
339.2644 1309.528
339.7465 1223.476
340.2286 1132.270
340.7107 1035.340
341.1928 940.7386
341.6750 850.6828
342.1571 764.9786
342.6392 688.3354
343.1213 620.4528
343.6034 559.6828
344.0855 504.3251
344.5677 454.7956
345.0498 410.0760
345.5319 370.4893
346.0140 335.5534
346.4961 304.9337
346.9782 278.6630
347.4604 254.8722
347.9425 232.8587
348.4246 212.5858
348.9067 194.9801
349.3888 180.2890
349.8709 167.2309
350.3531 154.2358
350.8352 141.5418
351.3173 130.0849
351.7994 120.2462
352.2815 111.8023
352.7636 104.4280
353.2458 98.11874
353.7279 92.57751
354.2100 87.71939
354.6921 83.43089
355.1742 79.53455
355.6563 75.92566
356.1385 72.67758
356.6206 69.76538
357.1027 67.21704
357.5848 65.24307
358.0669 65.24467
358.5490 65.22133
359.0312 63.16119
359.5133 58.13663
359.9954 52.21141
360.4775 45.62814
360.9596 38.98628
361.4417 33.65526
361.9239 30.97844
362.4060 29.08844
362.8881 26.91141
363.3702 24.23734
363.8523 22.10207
364.3344 20.75554
364.8166 20.12772
365.2987 20.14592
365.7808 21.30705
366.2629 22.58965
366.7450 23.71616
367.2271 24.66061
367.7093 25.67639
368.1914 26.83649
368.6735 28.12370
369.1556 29.44916
369.6377 30.13646
370.1198 31.42883
370.6020 33.93776
371.0841 37.34746
371.5662 40.09682
372.0483 41.57887
372.5304 42.92009
373.0125 44.57042
373.4947 46.55638
373.9768 48.63797
374.4589 50.51083
374.9410 52.84659
375.4231 56.60558
375.9052 61.94963
376.3874 68.14903
376.8695 74.59155
377.3516 81.42949
377.8337 90.86142
378.3158 103.0450
378.7979 117.6593
379.2801 134.2399
379.7622 152.9310
380.2443 173.4248
380.7264 195.3477
381.2085 219.5890
381.6906 250.1247
382.1728 286.9386
382.6549 324.1516
383.1370 365.8568
383.6191 406.2605
384.1012 419.7036
384.5833 401.7913
385.0655 362.9251
385.5476 308.1896
386.0297 241.7639
386.5118 181.8230
386.9939 136.1745
387.4760 101.9788
387.9582 76.27054
388.4403 58.77106
388.9224 45.93323
389.4045 36.45068
389.8866 29.50131
390.3687 23.91162
390.8509 19.53859
391.3330 16.25650
391.8151 14.45905
392.2972 13.82701
392.7793 13.01700
393.2614 10.72839
393.7436 8.422150
394.2257 7.180252
394.7078 7.583710
395.1899 8.124069
395.6720 8.323547
396.1541 8.309570
396.6363 8.288559
397.1184 8.075333
397.6005 8.078720
398.0826 8.530014
398.5647 9.506287
399.0468 10.33997
399.5290 11.04333
400.0111 11.53514
400.4932 11.73517
400.9753 11.00095
401.4574 10.84244
401.9395 11.46854
402.4217 12.78766
402.9038 14.33548
403.3859 15.89055
403.8680 18.00098
404.3501 21.01616
404.8322 25.13428
405.3144 29.25984
405.7965 32.98094
406.2786 37.13802
406.7607 43.33368
407.2428 51.92964
407.7249 60.66493
408.2071 68.97128
408.6892 76.79230
409.1713 84.28458
409.6534 91.92561
410.1355 96.49301
410.6176 94.20032
411.0998 85.88107
411.5819 76.00366
412.0640 64.71130
412.5461 53.43568
413.0282 43.87491
413.5103 36.10631
413.9925 30.30420
414.4746 27.18996
414.9567 25.83536
415.4388 25.32324
415.9209 25.74765
416.4030 25.40919
416.8852 22.26793
417.3673 17.50624
417.8494 13.05341
418.3315 9.570084
418.8136 6.671387
419.2957 4.107697
419.7779 1.904617
420.2600 6.3033998E-02
420.7421 1.319519
421.2242 2.380402
421.7063 3.167999
422.1884 3.639099
422.6706 3.976624
423.1527 4.222717
423.6348 4.368698
424.1169 4.402069
424.5990 4.121201
425.0811 3.920380
425.5633 4.124283
426.0454 4.918625
426.5275 4.796829
427.0096 2.752014
427.4917 0.5890200
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428.4560 1.648026
428.9381 2.846176
429.4202 3.069016
429.9023 2.516190
430.3844 1.792343
430.8665 0.7217710
431.3487 8.9630000E-02
431.8308 0.1279300
432.3129 0.6726840
432.7950 0.7237240
433.2771 0.1748200
433.7592 1.383026
434.2414 1.946136
434.7235 1.977600
435.2056 2.416565
435.6877 3.794189
436.1698 5.649582
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437.1341 7.510391
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440.0268 17.25963
440.5089 19.51871
440.9910 21.88277
441.4731 23.85991
441.9552 25.13853
442.4373 26.06981
442.9195 26.72617
443.4016 27.10278
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444.3658 28.79472
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445.3300 32.61249
445.8122 36.95618
446.2943 40.10489
446.7764 41.67525
447.2585 41.69420
447.7406 40.21031
448.2227 35.40831
448.7049 30.94754
449.1870 27.95129
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451.1154 20.59830
451.5976 20.06354
452.0797 21.66420
452.5618 22.85681
453.0439 23.08862
453.5260 22.75418
454.0081 23.02249
454.4903 23.91063
454.9724 25.29655
455.4545 27.05432
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456.4187 32.19810
456.9008 36.02383
457.3830 40.45816
457.8651 44.91304
458.3472 49.65146
458.8293 55.32185
459.3114 62.24632
459.7935 70.14583
460.2757 78.64447
460.7578 87.82648
461.2399 98.29233
461.7220 110.5525
462.2041 124.1613
462.6862 139.6659
463.1684 158.2961
463.6505 173.7227
464.1326 185.0702
464.6147 190.4003
465.0968 187.2834
465.5789 169.5255
466.0611 148.9168
466.5432 126.7737
467.0253 103.7296
467.5074 84.41411
467.9895 69.87943
468.4716 58.78374
468.9538 50.86589
469.4359 47.80859
469.9180 44.43559
470.4001 40.60001
470.8822 36.50969
471.3643 32.39136
471.8465 28.12756
472.3286 24.14207
472.8107 20.41293
473.2928 17.06587
473.7749 14.68719
474.2570 13.40549
474.7392 12.48524
475.2213 11.32784
475.7034 10.01524
476.1855 9.207230
476.6676 9.086411
477.1497 9.092178
477.6319 8.262085
478.1140 6.885910
478.5961 5.881210
479.0782 6.101883
479.5603 6.642654
480.0424 6.419418
480.5246 5.511978
481.0067 4.523758
481.4888 3.724823
481.9709 3.086090
482.4530 2.589722
482.9352 2.194443
483.4173 1.977402
483.8994 2.162613
484.3815 2.522797
484.8636 2.741791
485.3457 2.603271
485.8279 2.323486
486.3100 1.686203
486.7921 0.7101750
487.2742 0.2772980
487.7563 0.9975130
488.2384 1.753067
488.7206 1.841110
489.2027 0.7435910
489.6848 0.3580630
490.1669 1.032684
490.6490 2.031494
491.1311 1.983856
491.6133 0.6354220
492.0954 0.2286530
492.5775 0.1728820
493.0596 1.417252
493.5417 1.844543
494.0238 1.440430
494.5060 0.9676210
494.9881 1.077744
495.4702 1.544525
495.9523 1.785110
496.4344 1.687073
496.9165 1.514816
497.3987 1.582230
497.8808 1.759613
498.3629 1.802872
498.8450 1.652298
499.3271 1.302185
499.8092 0.4539950
500.2914 0.7307280
500.7735 1.319702
501.2556 0.2909550
501.7377 0.9431610
502.2198 1.487244
502.7019 0.8693390
503.1841 0.5502780
503.6662 1.106461
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