#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:42:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 937 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000408.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_1000408
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        R060606
_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            R060606.rod
_rod_data_source.block           3500000
_rod_database.code               1000408
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
187.7134 0.0000000E+00
188.1956 0.1717990
188.6777 0.1618040
189.1598 6.1179999E-02
189.6419 0.7649080
190.1240 2.186607
190.6061 4.299934
191.0883 6.717407
191.5704 9.168709
192.0525 11.67377
192.5346 14.41248
193.0167 17.49164
193.4988 20.67667
193.9810 22.97675
194.4631 24.20148
194.9452 25.50298
195.4273 27.57496
195.9094 30.38351
196.3915 32.82908
196.8737 34.48938
197.3558 35.70999
197.8379 37.82076
198.3200 40.89978
198.8021 44.43755
199.2842 47.97947
199.7664 51.53218
200.2485 55.23526
200.7306 59.05111
201.2127 63.04100
201.6948 67.65348
202.1769 72.91644
202.6591 78.66577
203.1412 84.90032
203.6233 91.77898
204.1054 98.24750
204.5875 104.4501
205.0696 110.2164
205.5518 113.4974
206.0339 113.8072
206.5160 112.8291
206.9981 112.0267
207.4802 111.2716
207.9623 111.2702
208.4445 112.3087
208.9266 114.3196
209.4087 116.8418
209.8908 120.2391
210.3729 123.6919
210.8550 126.6811
211.3372 129.3030
211.8193 129.3951
212.3014 126.2125
212.7835 119.4829
213.2656 111.0874
213.7477 100.4856
214.2299 88.86199
214.7120 77.63004
215.1941 66.22794
215.6762 56.25756
216.1583 47.98312
216.6404 41.37778
217.1226 35.66918
217.6047 30.87617
218.0868 26.65984
218.5689 22.86939
219.0510 19.61206
219.5331 16.85487
220.0153 14.61720
220.4974 12.93147
220.9795 11.29945
221.4616 9.637558
221.9437 8.100189
222.4258 6.884804
222.9080 6.145714
223.3901 5.410385
223.8722 4.537819
224.3543 3.480080
224.8364 2.607643
225.3185 1.903618
225.8007 1.404259
226.2828 1.206352
226.7649 1.539406
227.2470 1.711838
227.7291 1.471046
228.2112 0.7279740
228.6934 0.2372890
229.1755 8.7761000E-02
229.6576 0.1090930
230.1397 9.2522003E-02
230.6218 3.4720998E-02
231.1039 5.2666001E-02
231.5861 0.1524200
232.0682 0.2517170
232.5503 0.4730830
233.0324 0.9534000
233.5145 1.437256
233.9966 1.568001
234.4788 1.086815
234.9609 0.7168810
235.4430 0.7184070
235.9251 1.191017
236.4072 1.297287
236.8893 0.8115690
237.3715 0.1466290
237.8536 0.1651150
238.3357 8.0261000E-02
238.8178 0.3191600
239.2999 0.3908310
239.7820 0.2604290
240.2642 0.2460710
240.7463 0.4067760
241.2284 0.6369550
241.7105 0.8095170
242.1926 0.9151310
242.6747 0.9863130
243.1569 1.059715
243.6390 1.160133
244.1211 1.030479
244.6032 0.4753720
245.0853 0.1370160
245.5674 0.3428420
246.0496 9.2834003E-02
246.5317 0.4648210
247.0138 0.6524890
247.4959 0.6663210
247.9780 0.3961030
248.4601 0.3300090
248.9423 1.172195
249.4244 1.735321
249.9065 1.843727
250.3886 2.023712
250.8707 2.403252
251.3528 2.987396
251.8350 3.574272
252.3171 4.122536
252.7992 4.709587
253.2813 5.433418
253.7634 6.371101
254.2455 7.261452
254.7277 8.058952
255.2098 8.765282
255.6919 9.380424
256.1740 9.885483
256.6561 10.31988
257.1382 10.71834
257.6204 11.10352
258.1025 11.39822
258.5846 11.55811
259.0667 11.59192
259.5488 11.67953
260.0309 11.84229
260.5131 12.02657
260.9952 12.14516
261.4773 12.09266
261.9594 12.28548
262.4415 12.85830
262.9236 13.77252
263.4058 14.56123
263.8879 15.17953
264.3700 15.76426
264.8521 16.41110
265.3342 17.07576
265.8163 17.93690
266.2985 19.03484
266.7806 20.34189
267.2627 21.77396
267.7448 23.38042
268.2269 24.98705
268.7090 26.40660
269.1912 27.55660
269.6733 28.99651
270.1554 31.01715
270.6375 33.33236
271.1196 34.85239
271.6017 35.71220
272.0839 35.41021
272.5660 33.35502
273.0481 29.28419
273.5302 25.09077
274.0123 20.71089
274.4944 16.43788
274.9766 13.06339
275.4587 10.64659
275.9408 8.907761
276.4229 7.832825
276.9050 7.454445
277.3871 7.270920
277.8693 7.314865
278.3514 7.458733
278.8335 7.330780
279.3156 6.851501
279.7977 6.566193
280.2798 6.897812
280.7620 7.847450
281.2441 8.548058
281.7262 8.904892
282.2083 9.093109
282.6904 9.470436
283.1725 10.09269
283.6547 10.62421
284.1368 10.84781
284.6189 10.78315
285.1010 10.71404
285.5831 10.68832
286.0652 10.59647
286.5474 10.20583
287.0295 9.518639
287.5116 8.825272
287.9937 8.261612
288.4758 7.787132
288.9579 7.206543
289.4401 6.495522
289.9222 5.776329
290.4043 5.185394
290.8864 4.707550
291.3685 4.282158
291.8506 3.944672
292.3328 3.714745
292.8149 3.542671
293.2970 3.391182
293.7791 3.184296
294.2612 2.918037
294.7433 2.654213
295.2255 2.486755
295.7076 2.393074
296.1897 2.372650
296.6718 2.535614
297.1539 2.886345
297.6360 3.261292
298.1182 3.459877
298.6003 3.544456
299.0824 3.694740
299.5645 3.945602
300.0466 4.315598
300.5287 4.942757
301.0109 5.777077
301.4930 6.486107
301.9751 6.859573
302.4572 6.979950
302.9393 6.912766
303.4214 6.586876
303.9036 6.120148
304.3857 5.684555
304.8678 5.259209
305.3499 4.724884
305.8320 3.876610
306.3141 2.974228
306.7963 2.250656
307.2784 1.696953
307.7605 1.422691
308.2426 1.647041
308.7247 2.229950
309.2068 2.836113
309.6890 3.412292
310.1711 3.868195
310.6532 4.017128
311.1353 3.749710
311.6174 3.646606
312.0995 4.275024
312.5817 5.283783
313.0638 6.114052
313.5459 6.375420
314.0280 6.517044
314.5101 6.816910
314.9922 7.301079
315.4744 7.801575
315.9565 8.165222
316.4386 8.526924
316.9207 9.034134
317.4028 9.862167
317.8849 10.73383
318.3671 11.50361
318.8492 12.18607
319.3313 12.97144
319.8134 13.83856
320.2955 14.88372
320.7776 16.17083
321.2598 17.91985
321.7419 19.70221
322.2240 21.31038
322.7061 22.82108
323.1882 24.64082
323.6703 27.28181
324.1525 29.96117
324.6346 32.23028
325.1167 34.03012
325.5988 35.46446
326.0809 36.61189
326.5630 37.40835
327.0452 37.67738
327.5273 37.52178
328.0094 36.73387
328.4915 35.19555
328.9736 32.69882
329.4557 29.95019
329.9379 26.79401
330.4200 23.42135
330.9021 20.15748
331.3842 16.72718
331.8663 13.73578
332.3484 11.38930
332.8306 9.810753
333.3127 8.321976
333.7948 6.877274
334.2769 5.557823
334.7590 4.465851
335.2411 3.605270
335.7233 2.953514
336.2054 2.563499
336.6875 2.415154
337.1696 2.220970
337.6517 1.976997
338.1339 1.698929
338.6160 1.417236
339.0981 1.150078
339.5802 0.7491840
340.0623 8.4220998E-02
340.5444 0.6790010
341.0266 0.8590240
341.5087 0.3440320
341.9908 0.1966170
342.4729 0.3176190
342.9550 1.9278999E-02
343.4371 0.2775270
343.9193 0.5638810
344.4014 0.7891620
344.8835 0.8295360
345.3656 0.6861420
345.8477 0.5073090
346.3298 0.3629680
346.8120 0.2418370
347.2941 7.1175002E-02
347.7762 0.1789170
348.2583 0.3697740
348.7404 0.2355040
349.2225 0.1301420
349.7047 0.3572160
350.1868 0.4017490
350.6689 0.1963960
351.1510 0.4726790
351.6331 1.577057
352.1152 2.759262
352.5974 3.685097
353.0795 4.529892
353.5616 5.565727
354.0437 6.749870
354.5258 8.213509
355.0079 10.35039
355.4901 13.01402
355.9722 15.58562
356.4543 17.66698
356.9364 19.46751
357.4185 21.23146
357.9006 23.02197
358.3828 24.71921
358.8649 26.21962
359.3470 27.58461
359.8291 28.95131
360.3112 30.33321
360.7933 31.76775
361.2755 33.30507
361.7576 34.96039
362.2397 36.63028
362.7218 37.96143
363.2039 39.39675
363.6860 41.43093
364.1682 44.21014
364.6503 47.61620
365.1324 51.56352
365.6145 56.07401
366.0966 61.12997
366.5787 66.48730
367.0609 72.53899
367.5430 79.53659
368.0251 87.90440
368.5072 96.81644
368.9893 106.2492
369.4714 116.1390
369.9536 126.0649
370.4357 136.2815
370.9178 146.3250
371.3999 156.3345
371.8820 168.0146
372.3641 175.5487
372.8463 179.0702
373.3284 178.2964
373.8105 172.4560
374.2926 160.3722
374.7747 145.6559
375.2568 128.3473
375.7390 108.3265
376.2211 90.55789
376.7032 74.74017
377.1853 61.42693
377.6674 51.06263
378.1495 43.80116
378.6317 37.93380
379.1138 33.22680
379.5959 29.58672
380.0780 26.66608
380.5601 24.50086
381.0422 22.84082
381.5244 21.64396
382.0065 20.84340
382.4886 20.11137
382.9707 19.38393
383.4528 18.79028
383.9349 18.48195
384.4171 18.45702
384.8992 18.68430
385.3813 19.16365
385.8634 19.87950
386.3455 20.79317
386.8276 21.89684
387.3098 23.28329
387.7919 25.10760
388.2740 27.28111
388.7561 29.64488
389.2382 32.43775
389.7203 35.13687
390.2025 37.25139
390.6846 38.83827
391.1667 40.22247
391.6488 42.36452
392.1309 43.93076
392.6130 43.74118
393.0952 41.25510
393.5773 37.70639
394.0594 32.93149
394.5415 27.52546
395.0236 22.59200
395.5057 18.43864
395.9879 14.84644
396.4700 11.74694
396.9521 9.141212
397.4342 6.985046
397.9163 5.291710
398.3984 3.982368
398.8806 3.054886
399.3627 2.862091
399.8448 2.741531
400.3269 2.678993
400.8090 2.626076
401.2911 2.287560
401.7733 1.341507
402.2554 0.4914020
402.7375 0.1691970
403.2196 0.7244720
403.7017 0.9617460
404.1838 0.7690580
404.6660 0.3209230
405.1481 4.8186999E-02
405.6302 0.3161770
406.1123 0.5978780
406.5944 0.9686050
407.0765 1.435555
407.5587 1.789406
408.0408 2.031319
408.5229 2.102501
409.0050 1.832802
409.4871 1.279404
409.9692 0.9241490
410.4514 0.9857710
410.9335 1.174644
411.4156 0.7508320
411.8977 0.2225040
412.3798 1.059380
412.8619 1.126862
413.3441 0.7608570
413.8262 0.6383740
414.3083 0.8722000
414.7904 1.164017
415.2725 1.148491
415.7546 0.9782410
416.2368 0.9701080
416.7189 1.459976
417.2010 2.030136
417.6831 2.317474
418.1652 2.331139
418.6473 2.372673
419.1295 2.491760
419.6116 2.768196
420.0937 3.270340
420.5758 4.044472
421.0579 5.009041
421.5400 6.237923
422.0222 7.645157
422.5043 9.054726
422.9864 10.27416
423.4685 11.60439
423.9506 13.16241
424.4327 14.95026
424.9149 16.96769
425.3970 19.33578
425.8791 21.85519
426.3612 24.36347
426.8433 26.82236
427.3254 29.32067
427.8076 31.99665
428.2897 34.77876
428.7718 37.09296
429.2539 39.11969
429.7360 40.26546
430.2181 40.03504
430.7003 38.28071
431.1824 36.02422
431.6645 33.14951
432.1466 30.06696
432.6287 27.41402
433.1108 25.21156
433.5930 23.50563
434.0751 22.35339
434.5572 21.71154
435.0393 21.53620
435.5214 21.83608
436.0035 22.28297
436.4857 22.64414
436.9678 22.92552
437.4499 23.16484
437.9320 23.40841
438.4141 23.53459
438.8962 23.19375
439.3784 22.58604
439.8605 22.29955
440.3426 22.79943
440.8247 23.65986
441.3068 24.58186
441.7889 25.53697
442.2711 26.47430
442.7532 27.23847
443.2353 28.02153
443.7174 29.02299
444.1995 30.74316
444.6816 32.22015
445.1638 33.27201
445.6459 33.88312
446.1280 34.04836
446.6101 33.72324
447.0922 32.98663
447.5743 31.81583
448.0565 30.05334
448.5386 28.28605
449.0207 26.44035
449.5028 24.64629
449.9849 23.09322
450.4670 21.76477
450.9492 20.67970
451.4313 19.81723
451.9134 19.19730
452.3955 19.02808
452.8776 19.35312
453.3597 19.98447
453.8419 20.84060
454.3240 21.91182
454.8061 23.09855
455.2882 24.38475
455.7703 25.77723
456.2524 27.21566
456.7346 28.73990
457.2167 30.47140
457.6988 32.80933
458.1809 35.26036
458.6630 37.35966
459.1451 39.03738
459.6273 39.47545
460.1094 37.68836
460.5915 34.39977
461.0736 30.37560
461.5557 25.27662
462.0378 20.51039
462.5200 16.89697
463.0021 14.24544
463.4842 12.26260
463.9663 11.03566
464.4484 10.25632
464.9305 9.931442
465.4127 10.08666
465.8948 10.17205
466.3769 9.967041
466.8590 9.753639
467.3411 9.736458
467.8232 9.914986
468.3054 10.25955
468.7875 10.82581
469.2696 11.56615
469.7517 12.31058
470.2338 13.05888
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471.1981 14.18404
471.6802 14.46091
472.1623 14.98510
472.6444 15.85048
473.1265 16.69007
473.6086 17.07549
474.0908 17.01404
474.5729 17.01110
475.0550 17.23942
475.5371 17.44079
476.0192 17.12447
476.5013 16.31817
476.9835 15.27407
477.4656 13.97511
477.9477 12.57514
478.4298 11.33988
478.9119 10.28609
479.3940 9.291504
479.8762 8.153954
480.3583 7.051750
480.8404 6.226936
481.3225 5.873795
481.8046 5.628448
482.2867 5.305206
482.7689 4.949036
483.2510 4.673248
483.7331 4.573639
484.2152 4.529663
484.6973 4.512634
485.1794 4.540245
485.6616 4.437012
486.1437 3.988792
486.6258 3.545532
487.1079 3.360603
487.5900 3.500160
488.0721 3.710861
488.5543 3.986542
489.0364 4.349007
489.5185 4.762314
490.0006 5.175308
490.4827 5.759079
490.9648 6.635529
491.4470 7.788452
491.9291 8.828438
492.4112 9.738312
492.8933 10.59541
493.3754 11.57767
493.8575 12.60986
494.3397 13.32582
494.8218 13.60861
495.3039 13.60868
495.7860 13.39959
496.2681 13.05606
496.7502 12.81590
497.2324 12.86986
497.7145 13.01154
498.1966 12.98301
498.6787 12.78400
499.1608 12.83954
499.6429 13.57793
500.1251 14.52591
500.6072 15.28409
501.0893 15.53191
501.5714 15.92435
502.0535 16.55552
502.5356 17.41734
503.0178 18.51204
503.4999 20.13839
503.9820 21.69689
504.4641 22.93789
504.9462 23.83408
505.4283 25.10757
505.9105 26.76495
506.3926 28.78603
506.8747 31.21105
507.3568 34.07795
507.8389 37.04453
508.3210 40.05518
508.8032 43.10948
509.2853 46.12966
509.7674 49.12832
510.2495 52.32876
510.7316 56.12756
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