#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:27 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1171 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000590.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_1000590
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 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            R060620.rod
_rod_data_source.block           3500000
_rod_database.code               1000590
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
95.46045 0.0000000E+00
95.94257 0.4372560
96.42468 0.8697510
96.90680 5.531860
97.38892 10.11047
97.87103 13.74237
98.35315 14.25891
98.83527 12.65619
99.31738 12.72888
99.79950 19.18341
100.2816 20.99658
100.7637 16.80280
101.2458 11.59619
101.7280 7.328613
102.2101 4.589600
102.6922 2.801331
103.1743 0.7882080
103.6564 1.808716
104.1385 3.210144
104.6207 2.569153
105.1028 0.2677000
105.5849 2.606934
106.0670 5.836060
106.5491 8.965942
107.0313 11.29810
107.5134 12.58289
107.9955 14.16772
108.4776 16.75806
108.9597 19.77039
109.4418 26.33716
109.9240 36.94934
110.4061 51.27942
110.8882 69.27686
111.3703 90.88379
111.8524 116.3469
112.3345 146.7953
112.8167 188.1981
113.2988 226.9752
113.7809 264.7726
114.2630 298.0333
114.7451 322.1553
115.2272 333.6256
115.7094 333.2131
116.1915 333.1525
116.6736 331.6003
117.1557 332.0564
117.6378 334.2273
118.1199 338.9894
118.6021 348.8497
119.0842 366.2566
119.5663 392.1893
120.0484 420.0494
120.5305 448.7964
121.0126 480.0771
121.4948 515.4437
121.9769 555.2098
122.4590 597.9739
122.9411 642.3660
123.4232 688.2820
123.9053 736.9271
124.3875 786.0184
124.8696 837.9364
125.3517 897.9308
125.8338 964.1904
126.3159 1044.491
126.7980 1136.967
127.2802 1243.196
127.7623 1368.852
128.2444 1513.928
128.7265 1675.202
129.2086 1878.491
129.6907 2106.683
130.1729 2398.263
130.6550 2780.904
131.1371 3254.140
131.6192 3790.798
132.1013 4395.278
132.5834 5280.694
133.0656 5785.018
133.5477 5908.583
134.0298 5725.251
134.5119 5203.696
134.9940 4355.374
135.4761 3332.570
135.9583 2487.207
136.4404 1879.525
136.9225 1396.693
137.4046 1070.070
137.8867 857.3542
138.3688 712.2535
138.8510 618.0273
139.3331 565.7460
139.8152 527.8104
140.2973 503.7124
140.7794 489.7570
141.2615 485.3882
141.7437 490.2533
142.2258 502.8356
142.7079 522.7427
143.1900 550.8907
143.6721 586.0448
144.1542 627.9564
144.6364 677.2976
145.1185 736.5182
145.6006 806.8328
146.0827 879.4977
146.5648 964.2432
147.0469 1044.918
147.5291 1104.267
148.0112 1138.001
148.4933 1145.142
148.9754 1121.164
149.4575 1054.455
149.9396 972.6729
150.4218 881.6626
150.9039 784.7316
151.3860 685.6271
151.8681 585.0312
152.3502 483.6111
152.8323 392.6669
153.3145 312.5394
153.7966 244.5758
154.2787 191.0785
154.7608 150.0197
155.2429 117.5015
155.7250 90.64832
156.2072 69.68665
156.6893 52.74060
157.1714 40.37500
157.6535 30.44482
158.1356 22.72839
158.6177 16.84924
159.0999 11.81274
159.5820 6.610107
160.0641 1.109985
160.5462 2.558838
161.0283 3.649414
161.5104 3.680664
161.9926 3.047607
162.4747 1.738159
162.9568 0.9448240
163.4389 2.780762
163.9210 7.119629
164.4031 10.34253
164.8853 11.70422
165.3674 11.62085
165.8495 10.87781
166.3316 9.841553
166.8137 7.300415
167.2958 0.7927250
167.7780 8.610840
168.2601 16.68018
168.7422 20.48157
169.2243 21.08093
169.7064 22.63025
170.1885 25.67529
170.6707 29.71887
171.1528 34.52344
171.6349 39.96497
172.1170 45.62158
172.5991 51.26611
173.0812 56.90747
173.5634 62.30872
174.0455 66.78076
174.5276 71.61084
175.0097 76.46362
175.4918 81.82715
175.9739 89.18567
176.4561 100.1659
176.9382 115.4288
177.4203 132.6592
177.9024 152.0623
178.3845 172.9448
178.8666 196.7230
179.3488 222.5023
179.8309 246.9943
180.3130 265.5024
180.7951 277.1670
181.2772 283.3387
181.7593 281.6091
182.2415 276.7656
182.7236 270.4535
183.2057 263.6537
183.6878 259.0419
184.1699 260.5387
184.6520 269.0055
185.1342 283.8168
185.6163 304.4614
186.0984 331.6910
186.5805 367.4062
187.0626 412.4170
187.5447 463.3843
188.0269 518.3594
188.5090 582.8849
188.9911 631.1685
189.4732 660.7129
189.9553 669.6998
190.4374 651.2877
190.9196 598.4015
191.4017 527.5104
191.8838 457.9832
192.3659 388.7375
192.8480 328.6526
193.3301 281.9116
193.8123 247.7351
194.2944 223.3102
194.7765 209.6793
195.2586 204.7855
195.7407 204.3713
196.2228 208.4221
196.7050 217.5573
197.1871 233.1317
197.6692 254.9730
198.1513 279.3088
198.6334 307.2786
199.1155 336.1455
199.5977 367.7690
200.0798 401.3547
200.5619 427.3201
201.0440 436.8287
201.5261 429.1469
202.0082 409.6692
202.4904 369.2817
202.9725 323.6426
203.4546 277.2886
203.9367 231.9695
204.4188 190.1844
204.9009 154.9915
205.3831 126.6395
205.8652 104.9164
206.3473 92.29639
206.8294 83.62720
207.3115 76.92700
207.7936 71.49622
208.2758 67.05334
208.7579 63.51367
209.2400 62.22498
209.7221 59.07874
210.2042 52.85010
210.6863 45.79517
211.1685 38.87366
211.6506 32.41138
212.1327 26.67749
212.6148 22.49573
213.0969 21.23877
213.5790 19.58154
214.0612 16.71777
214.5433 13.97168
215.0254 12.32751
215.5075 11.91406
215.9896 12.16638
216.4717 12.70630
216.9539 14.32239
217.4360 15.02332
217.9181 12.79907
218.4002 9.952026
218.8823 9.542969
219.3644 12.56995
219.8466 16.80884
220.3287 18.37915
220.8108 16.18555
221.2929 16.86658
221.7750 25.10059
222.2571 34.96997
222.7393 38.46265
223.2214 33.39075
223.7035 25.87476
224.1856 23.34729
224.6677 25.41882
225.1498 28.71912
225.6320 32.02893
226.1141 35.81213
226.5962 41.05237
227.0783 48.20898
227.5604 56.00647
228.0425 62.48389
228.5247 68.12793
229.0068 75.94910
229.4889 86.65442
229.9710 100.2676
230.4531 117.2997
230.9352 138.4052
231.4174 161.7181
231.8995 188.2753
232.3816 216.1737
232.8637 239.6381
233.3458 260.2150
233.8279 274.6896
234.3101 271.2382
234.7922 242.7386
235.2743 206.7655
235.7564 169.8500
236.2385 133.9027
236.7206 102.7523
237.2028 79.31689
237.6849 62.61096
238.1670 48.07275
238.6491 35.40393
239.1312 25.82642
239.6133 20.46899
240.0955 17.89441
240.5776 15.54590
241.0597 11.58374
241.5418 6.734253
242.0239 4.848511
242.5060 9.064087
242.9882 12.01929
243.4703 10.68286
243.9524 7.012329
244.4345 3.868896
244.9166 2.906860
245.3987 3.721436
245.8809 4.335449
246.3630 4.902466
246.8451 4.998901
247.3272 4.098633
247.8093 2.826782
248.2914 2.017090
248.7736 2.153564
249.2557 2.960815
249.7378 3.271484
250.2199 2.332031
250.7020 1.847900
251.1841 2.219482
251.6663 3.084229
252.1484 4.006104
252.6305 4.796875
253.1126 5.484863
253.5947 6.236084
254.0768 6.909546
254.5590 7.823364
255.0411 8.435303
255.5232 9.507690
256.0053 12.17334
256.4874 16.88538
256.9695 22.76501
257.4517 27.66443
257.9338 28.68274
258.4159 32.35315
258.8980 40.83142
259.3801 51.07117
259.8622 60.87549
260.3444 69.37451
260.8265 75.40295
261.3086 76.70789
261.7907 71.28259
262.2728 63.49268
262.7549 50.64124
263.2371 36.74854
263.7192 25.76782
264.2013 18.73376
264.6834 14.28833
265.1655 10.62891
265.6476 8.316040
266.1298 5.449097
266.6119 0.9609380
267.0940 3.522095
267.5761 6.631348
268.0582 8.075684
268.5403 8.017700
269.0225 6.207520
269.5046 1.885010
269.9867 0.3743900
270.4688 0.7971190
270.9509 3.284058
271.4330 5.777954
271.9152 8.028809
272.3973 9.402954
272.8794 8.862793
273.3615 6.241577
273.8436 5.348022
274.3257 8.629639
274.8079 11.95654
275.2900 11.36365
275.7721 6.913818
276.2542 2.653198
276.7363 1.754639
277.2184 3.934448
277.7006 5.048096
278.1827 4.776123
278.6648 3.744263
279.1469 2.017090
279.6290 0.3090820
280.1111 2.407593
280.5933 3.627319
281.0754 4.202393
281.5575 5.190308
282.0396 7.043213
282.5217 8.817993
283.0038 10.10339
283.4860 10.88013
283.9681 11.03442
284.4502 10.38037
284.9323 9.126587
285.4144 7.627441
285.8965 5.367432
286.3787 4.064087
286.8608 5.535278
287.3429 8.942261
287.8250 11.19385
288.3071 10.89734
288.7892 9.508667
289.2714 9.056763
289.7535 9.526367
290.2356 10.58374
290.7177 12.40149
291.1998 14.69958
291.6819 16.85815
292.1641 18.85730
292.6462 20.44897
293.1283 21.03418
293.6104 20.74841
294.0925 21.00525
294.5746 22.67993
295.0568 25.21130
295.5389 27.61865
296.0210 29.91602
296.5031 31.67126
296.9852 31.90918
297.4673 31.23645
297.9495 31.40955
298.4316 33.94141
298.9137 37.25574
299.3958 38.64978
299.8779 37.64429
300.3600 36.87000
300.8422 37.90320
301.3243 40.36353
301.8064 43.83398
302.2885 48.97070
302.7706 54.45715
303.2527 58.71143
303.7349 61.68274
304.2170 64.57178
304.6991 67.85986
305.1812 71.42615
305.6633 75.00635
306.1454 78.38623
306.6276 82.21826
307.1097 87.01831
307.5918 92.75378
308.0739 99.32971
308.5560 106.8082
309.0381 115.0415
309.5203 123.5321
310.0024 132.2561
310.4845 141.8770
310.9666 152.8123
311.4487 165.0002
311.9308 178.0417
312.4130 191.6227
312.8951 206.3506
313.3772 222.1791
313.8593 239.1869
314.3414 257.7537
314.8235 277.1943
315.3057 298.3759
315.7878 324.3911
316.2699 356.5408
316.7520 390.8486
317.2341 423.5590
317.7162 455.8273
318.1984 490.9984
318.6805 532.2533
319.1626 576.0386
319.6447 616.1069
320.1268 651.5259
320.6089 687.8760
321.0911 728.8395
321.5732 772.8517
322.0553 817.5327
322.5374 861.6643
323.0195 908.0178
323.5016 958.2728
323.9838 1012.708
324.4659 1072.868
324.9480 1139.538
325.4301 1212.385
325.9122 1288.911
326.3943 1369.409
326.8765 1455.844
327.3586 1550.413
327.8407 1652.764
328.3228 1758.624
328.8049 1864.840
329.2870 1977.832
329.7692 2101.303
330.2513 2234.616
330.7334 2379.155
331.2155 2533.722
331.6976 2699.658
332.1797 2881.710
332.6619 3082.992
333.1440 3293.413
333.6261 3517.810
334.1082 3746.249
334.5903 3953.300
335.0724 4142.466
335.5546 4298.752
336.0367 4408.183
336.5188 4471.842
337.0009 4472.097
337.4830 4383.836
337.9651 4224.399
338.4473 4028.859
338.9294 3791.576
339.4115 3532.441
339.8936 3259.469
340.3757 2974.636
340.8578 2699.582
341.3400 2436.611
341.8221 2193.099
342.3042 1975.196
342.7863 1782.253
343.2684 1607.308
343.7505 1448.055
344.2327 1304.246
344.7148 1176.354
345.1969 1065.869
345.6790 967.5813
346.1611 877.0579
346.6432 793.4187
347.1254 718.6594
347.6075 655.7346
348.0896 600.8718
348.5717 551.4004
349.0538 507.0098
349.5359 465.6443
350.0181 425.0891
350.5002 386.4236
350.9823 353.0217
351.4644 327.7300
351.9465 305.6550
352.4286 283.5112
352.9108 261.7002
353.3929 241.8074
353.8750 224.7847
354.3571 210.1714
354.8392 196.6484
355.3214 184.0173
355.8035 172.6523
356.2856 163.3386
356.7677 155.2830
357.2498 147.0312
357.7319 138.1174
358.2141 129.1511
358.6962 121.0840
359.1783 114.2195
359.6604 106.5544
360.1425 97.17700
360.6246 87.31787
361.1068 77.56860
361.5889 68.27173
362.0710 60.87231
362.5531 56.49268
363.0352 55.09277
363.5173 54.22852
363.9995 53.27954
364.4816 53.11670
364.9637 54.91846
365.4458 58.09058
365.9279 60.64966
366.4100 61.37109
366.8922 60.96704
367.3743 61.88989
367.8564 65.53345
368.3385 68.62354
368.8206 70.92456
369.3027 72.09253
369.7849 70.91162
370.2670 67.24927
370.7491 63.73340
371.2312 64.09766
371.7133 69.70801
372.1954 75.13989
372.6776 80.27539
373.1597 85.20288
373.6418 89.64185
374.1239 93.78735
374.6060 98.15381
375.0881 103.0735
375.5703 108.5879
376.0524 116.6187
376.5345 126.9514
377.0166 139.9802
377.4987 155.2024
377.9808 173.4465
378.4630 195.7422
378.9451 222.5615
379.4272 253.9199
379.9093 289.6475
380.3914 328.9014
380.8735 375.2358
381.3557 435.9695
381.8378 497.8735
382.3199 559.6455
382.8020 616.6538
383.2841 653.4700
383.7662 651.8254
384.2484 608.5459
384.7305 548.6326
385.2126 450.8318
385.6947 355.9519
386.1768 272.0676
386.6589 201.3147
387.1411 145.3242
387.6232 105.7573
388.1053 80.09912
388.5874 60.25635
389.0695 48.53271
389.5516 38.65576
390.0338 28.31982
390.5159 19.27368
390.9980 13.62256
391.4801 11.91016
391.9622 11.89062
392.4443 10.87695
392.9265 8.735107
393.4086 6.993408
393.8907 6.846924
394.3728 6.139893
394.8549 2.571045
395.3370 2.940430
395.8192 6.884766
396.3013 6.009521
396.7834 1.860840
397.2655 0.4399410
397.7476 0.5410160
398.2297 0.3608400
398.7119 3.302246
399.1940 6.385010
399.6761 6.805420
400.1582 3.170410
400.6403 1.793945
401.1224 5.507080
401.6046 8.066406
402.0867 10.13477
402.5688 11.57031
403.0509 12.96655
403.5330 14.35474
404.0151 15.62524
404.4973 19.33984
404.9794 28.16431
405.4615 39.72876
405.9436 49.66846
406.4257 57.17236
406.9078 65.04907
407.3900 76.60425
407.8721 90.62915
408.3542 101.1753
408.8363 108.0896
409.3184 111.1560
409.8005 109.5833
410.2827 103.8435
410.7648 94.94482
411.2469 82.67480
411.7290 68.81006
412.2111 57.21069
412.6932 47.30811
413.1754 40.45508
413.6575 37.71094
414.1396 37.67358
414.6217 40.28589
415.1038 45.05078
415.5859 48.55908
416.0681 47.35718
416.5502 41.04688
417.0323 33.42822
417.5144 22.71558
417.9965 12.74805
418.4786 4.562256
418.9608 1.667969
419.4429 5.833008
419.9250 7.851318
420.4071 7.951416
420.8892 6.576660
421.3713 1.197998
421.8535 1.729004
422.3356 0.2480470
422.8177 2.344971
423.2998 3.387451
423.7819 2.592773
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