#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:23 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1170 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000589.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_1000589
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 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            R060606.rod
_rod_data_source.block           3500000
_rod_database.code               1000589
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
116.7517 0.0000000E+00
117.2339 6.8297997E-02
117.7160 7.1700998E-02
118.1981 5.5603001E-02
118.6802 2.3560001E-02
119.1623 0.2016910
119.6444 0.5902400
120.1266 1.086792
120.6087 1.656662
121.0908 2.331924
121.5729 3.161514
122.0550 4.228668
122.5371 5.295212
123.0193 6.088089
123.5014 6.559845
123.9835 7.133636
124.4656 8.203171
124.9477 9.405975
125.4298 10.50157
125.9120 11.53362
126.3941 12.24347
126.8762 11.92525
127.3583 9.876434
127.8404 7.930542
128.3225 6.687912
128.8047 5.901596
129.2868 5.184830
129.7689 4.245178
130.2510 3.132843
130.7331 2.366959
131.2152 2.284851
131.6974 2.247192
132.1795 2.021118
132.6616 1.699921
133.1437 1.534210
133.6258 1.744598
134.1079 2.380798
134.5901 3.155792
135.0722 4.246155
135.5543 5.309799
136.0364 6.280640
136.5185 7.104065
137.0006 7.564621
137.4828 7.344086
137.9649 6.286591
138.4470 5.277161
138.9291 4.368881
139.4112 3.899948
139.8933 3.553558
140.3755 3.301575
140.8576 3.164566
141.3397 2.981674
141.8218 3.079178
142.3039 3.411530
142.7860 3.969528
143.2681 4.753494
143.7503 5.714630
144.2324 6.654755
144.7145 8.061844
145.1966 10.49556
145.6787 13.94153
146.1608 17.40123
146.6430 20.10454
147.1251 22.02957
147.6072 23.44016
148.0893 24.40393
148.5714 24.81415
149.0535 24.48439
149.5357 23.39427
150.0178 21.76958
150.4999 19.84572
150.9820 17.24327
151.4641 15.16785
151.9462 13.94769
152.4284 13.05516
152.9105 12.06305
153.3926 10.81863
153.8747 9.462616
154.3568 8.352203
154.8389 7.707718
155.3211 7.082870
155.8032 6.347000
156.2853 5.647247
156.7674 5.233215
157.2495 5.249359
157.7316 5.536636
158.2138 5.401642
158.6959 4.621140
159.1780 3.741791
159.6601 2.827972
160.1422 1.907089
160.6243 1.007202
161.1065 0.1117710
161.5886 0.7113650
162.0707 1.216995
162.5528 1.223129
163.0349 1.117630
163.5170 1.221039
163.9991 1.490509
164.4813 1.482147
164.9634 0.8068700
165.4455 0.3402710
165.9276 1.471451
166.4097 2.655502
166.8918 3.715668
167.3740 4.328598
167.8561 4.371399
168.3382 4.544495
168.8203 5.439926
169.3024 6.665558
169.7845 7.746338
170.2667 8.393860
170.7488 8.876923
171.2309 9.773682
171.7130 11.13478
172.1951 12.84172
172.6772 14.91061
173.1594 17.28822
173.6415 19.86848
174.1236 22.57397
174.6057 25.31076
175.0878 28.10156
175.5699 31.18736
176.0521 34.12033
176.5342 37.27811
177.0163 40.17711
177.4984 42.04242
177.9805 42.35934
178.4626 41.13870
178.9448 38.55461
179.4269 32.86093
179.9090 27.48111
180.3911 23.28896
180.8732 20.29620
181.3553 18.24463
181.8375 16.91943
182.3196 16.32620
182.8017 16.55525
183.2838 17.62247
183.7659 19.27650
184.2480 21.63197
184.7301 24.55627
185.2123 27.59763
185.6944 30.35829
186.1765 32.79761
186.6586 35.07101
187.1407 37.21404
187.6228 39.16492
188.1050 40.62209
188.5871 41.59122
189.0692 42.83823
189.5513 45.19524
190.0334 48.65547
190.5155 52.27438
190.9977 55.81587
191.4798 59.52060
191.9619 63.76207
192.4440 68.65967
192.9261 73.73326
193.4082 78.51619
193.8904 83.10309
194.3725 87.75557
194.8546 92.60194
195.3367 97.57492
195.8188 102.4453
196.3009 106.9486
196.7831 111.9276
197.2652 117.9072
197.7473 124.7858
198.2294 132.3383
198.7115 140.3479
199.1936 148.9496
199.6758 158.5474
200.1579 168.9485
200.6400 180.9168
201.1221 195.0522
201.6042 210.8306
202.0863 226.9125
202.5685 243.6235
203.0506 260.6963
203.5327 272.9150
204.0148 280.3549
204.4969 281.8100
204.9790 275.1794
205.4612 262.2058
205.9433 246.5006
206.4254 230.1962
206.9075 213.0907
207.3896 199.3697
207.8717 190.5125
208.3539 183.9409
208.8360 180.1996
209.3181 178.3738
209.8002 176.7426
210.2823 174.0082
210.7644 170.3559
211.2466 163.9838
211.7287 154.1261
212.2108 142.6253
212.6929 129.1434
213.1750 114.4057
213.6571 99.84818
214.1393 86.75014
214.6214 75.16442
215.1035 64.86382
215.5856 55.57557
216.0677 47.43346
216.5498 40.60974
217.0320 35.03225
217.5141 30.31941
217.9962 26.19225
218.4783 22.70245
218.9604 19.74531
219.4425 17.52743
219.9247 15.54868
220.4068 13.44299
220.8889 11.24327
221.3710 9.346169
221.8531 8.181549
222.3352 7.829269
222.8174 7.197205
223.2995 6.047195
223.7816 4.786774
224.2637 3.655586
224.7458 2.680176
225.2279 1.987328
225.7100 1.825844
226.1922 2.107605
226.6743 2.068909
227.1564 1.412788
227.6385 0.5735780
228.1206 7.8483999E-02
228.6027 0.5237200
229.0849 0.8458630
229.5670 1.083733
230.0491 1.234955
230.5312 1.297302
231.0133 1.260933
231.4954 1.139313
231.9776 0.8578870
232.4597 0.3676760
232.9418 6.0860001E-02
233.4239 0.4662700
233.9060 1.171692
234.3881 1.529205
234.8703 1.221901
235.3524 0.6278610
235.8345 0.3061600
236.3166 0.3525090
236.7987 0.2638700
237.2808 0.5563430
237.7630 1.554596
238.2451 2.061768
238.7272 1.720917
239.2093 1.021332
239.6914 0.7964550
240.1735 1.231453
240.6557 1.542564
241.1378 1.195236
241.6199 0.6779250
242.1020 0.4654920
242.5841 0.7454220
243.0662 1.312660
243.5484 1.869827
244.0305 2.484680
244.5126 2.891380
244.9947 2.740898
245.4768 2.507545
245.9589 2.638535
246.4410 3.298561
246.9232 4.206146
247.4053 4.892242
247.8874 5.284058
248.3695 5.610115
248.8516 5.626740
249.3337 5.760216
249.8159 6.418480
250.2980 7.715012
250.7801 9.318512
251.2622 10.65501
251.7443 11.47205
252.2264 12.59138
252.7086 14.34012
253.1907 16.20084
253.6728 17.86371
254.1549 19.23021
254.6370 20.34888
255.1191 21.27716
255.6013 21.91977
256.0834 22.56110
256.5655 23.48248
257.0476 24.21832
257.5297 24.38850
258.0118 23.96335
258.4940 23.26294
258.9761 22.68047
259.4582 22.14236
259.9403 21.95039
260.4224 22.02730
260.9045 22.42184
261.3867 23.26245
261.8688 24.50731
262.3509 25.92012
262.8330 27.25818
263.3151 28.54503
263.7972 29.64583
264.2794 30.56499
264.7615 31.33440
265.2436 31.86562
265.7257 32.21925
266.2078 32.60779
266.6899 33.23869
267.1721 34.13885
267.6542 35.13269
268.1363 36.15723
268.6184 37.30692
269.1005 38.93321
269.5826 40.81056
270.0648 42.32651
270.5469 43.09442
271.0290 43.13585
271.5111 41.25784
271.9932 36.24203
272.4753 30.95631
272.9575 26.33188
273.4396 22.41805
273.9217 19.06261
274.4038 16.14417
274.8859 13.68654
275.3680 12.13283
275.8501 11.74026
276.3322 11.71709
276.8144 11.92039
277.2965 12.29411
277.7786 12.74153
278.2607 13.20523
278.7428 13.70932
279.2249 14.38400
279.7071 15.23105
280.1892 16.20659
280.6713 17.40723
281.1534 18.72090
281.6355 19.89716
282.1176 20.82173
282.5998 21.63115
283.0819 22.70955
283.5640 24.57462
284.0461 25.83524
284.5282 26.02217
285.0103 25.45714
285.4925 24.58723
285.9746 23.53949
286.4567 22.25787
286.9388 20.55005
287.4209 18.19336
287.9030 16.18623
288.3852 14.84187
288.8673 13.89195
289.3494 13.07939
289.8315 12.35909
290.3136 11.66380
290.7957 10.83879
291.2779 9.810455
291.7600 8.927216
292.2421 8.224030
292.7242 7.754379
293.2063 7.621307
293.6884 7.814957
294.1706 8.063354
294.6527 8.094925
295.1348 7.944244
295.6169 8.120178
296.0990 8.982834
296.5811 9.914368
297.0633 10.31589
297.5454 10.22260
298.0275 10.28178
298.5096 10.99834
298.9917 12.27046
299.4738 13.31174
299.9560 13.84181
300.4381 14.40216
300.9202 15.56674
301.4023 17.13716
301.8844 18.23439
302.3665 18.40092
302.8487 17.73944
303.3308 16.69017
303.8129 15.13847
304.2950 13.43875
304.7771 11.56514
305.2592 9.648636
305.7414 8.027054
306.2235 6.830856
306.7056 5.988663
307.1877 5.388870
307.6698 4.988113
308.1519 4.849701
308.6341 5.174469
309.1162 5.739410
309.5983 6.119095
310.0804 6.168549
310.5625 6.175369
311.0446 6.586258
311.5268 7.416534
312.0089 8.111862
312.4910 8.449768
312.9731 8.648254
313.4552 9.011810
313.9373 9.590363
314.4195 10.10828
314.9016 10.19444
315.3837 9.904343
315.8658 10.02850
316.3479 10.82686
316.8300 11.92407
317.3121 13.11630
317.7943 14.37671
318.2764 15.50792
318.7585 16.29640
319.2406 16.85600
319.7227 17.73508
320.2048 18.95757
320.6870 20.46494
321.1691 22.31071
321.6512 24.43327
322.1333 26.67917
322.6154 29.01685
323.0975 31.36945
323.5797 33.47473
324.0618 35.26015
324.5439 37.02614
325.0260 39.25989
325.5081 41.49974
325.9902 42.89326
326.4724 43.15811
326.9545 42.55598
327.4366 41.43878
327.9187 39.90381
328.4008 37.60368
328.8829 33.97372
329.3651 29.77592
329.8472 25.75606
330.3293 22.04199
330.8114 18.73976
331.2935 16.00157
331.7756 13.88921
332.2578 11.87209
332.7399 9.741180
333.2220 7.859024
333.7041 6.606308
334.1862 5.931641
334.6683 5.334503
335.1505 4.466003
335.6326 3.379944
336.1147 2.501419
336.5968 1.910553
337.0789 1.405975
337.5610 0.7942200
338.0432 0.1983340
338.5253 9.7960001E-03
339.0074 0.4954990
339.4895 1.297394
339.9716 1.386841
340.4537 0.3321690
340.9359 0.5303650
341.4180 0.8454440
341.9001 0.8687290
342.3822 0.9075620
342.8643 1.049622
343.3464 1.240051
343.8286 1.419296
344.3107 1.625214
344.7928 1.669724
345.2749 1.425079
345.7570 1.106781
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348.1676 5.8212001E-02
348.6497 0.3152160
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350.5782 2.692093
351.0603 3.949173
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352.5067 8.869888
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353.4709 13.95618
353.9530 16.43172
354.4351 18.83711
354.9172 21.24998
355.3994 23.67908
355.8815 25.91013
356.3636 27.56599
356.8457 28.28651
357.3278 29.10791
357.8099 30.16730
358.2920 31.24983
358.7741 32.07066
359.2563 32.66165
359.7384 33.32532
360.2205 34.34737
360.7026 35.74567
361.1847 37.59650
361.6668 40.08672
362.1490 42.79413
362.6311 45.53156
363.1132 48.39973
363.5953 51.55037
364.0774 55.08040
364.5595 58.96986
365.0417 63.11079
365.5238 67.10489
366.0059 71.98996
366.4880 77.92656
366.9701 84.70436
367.4522 92.05304
367.9344 99.87503
368.4165 108.4479
368.8986 118.4310
369.3807 130.4813
369.8628 142.1266
370.3449 154.9610
370.8271 166.0550
371.3092 175.0095
371.7913 181.0483
372.2734 182.6069
372.7555 177.9788
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373.7198 153.5365
374.2019 133.6150
374.6840 114.3181
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375.6482 82.40839
376.1303 69.48427
376.6125 58.39195
377.0946 49.10469
377.5767 41.63388
378.0588 36.26022
378.5409 31.95654
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379.5052 26.02412
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381.9157 22.71094
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390.1117 41.72717
390.5938 44.29472
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393.4865 35.94423
393.9687 30.12354
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395.8971 11.15782
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410.3606 0.3621670
410.8427 0.3931580
411.3248 2.4780000E-02
411.8069 0.4087370
412.2891 0.5384520
412.7712 0.2913820
413.2533 5.7312001E-02
413.7354 8.8165000E-02
414.2175 0.3613280
414.6996 0.4723970
415.1818 0.2107390
415.6639 0.8155820
416.1460 1.043243
416.6281 0.9152370
417.1102 0.5355680
417.5923 8.6121000E-02
418.0745 0.8596650
418.5566 1.452499
419.0387 1.707977
419.5208 2.128281
420.0029 2.894592
420.4850 3.864532
420.9672 4.931900
421.4493 6.071289
421.9314 7.267181
422.4135 8.489914
422.8956 9.740753
423.3777 11.05968
423.8599 12.27901
424.3420 13.83028
424.8241 16.10588
425.3062 18.96886
425.7883 21.95947
426.2704 25.07574
426.7526 28.13068
427.2347 30.92456
427.7168 33.49219
428.1989 35.52489
428.6810 37.01059
429.1631 37.68594
429.6453 37.20059
430.1274 35.19318
430.6095 32.83974
431.0916 30.39157
431.5737 28.06277
432.0558 26.37389
432.5380 25.51442
433.0201 24.91339
433.5022 23.81349
433.9843 22.08800
434.4664 21.10451
434.9485 21.46069
435.4307 22.10033
435.9128 22.34433
436.3949 22.25732
436.8770 22.20290
437.3591 22.38422
437.8412 22.77283
438.3234 23.25926
438.8055 23.62070
439.2876 24.38055
439.7697 25.51579
440.2518 27.09634
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