#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:38:08 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1201 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000615.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_1000615
loop_
_publ_author_name
'Bragg, W L'
_publ_section_title
;
 The Structure of Beryl, Be~3~ Al~2~ Si~6~ O~18~
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              691
_journal_page_last               714
_journal_paper_doi               10.1098/rspa.1926.0088
_journal_volume                  111
_journal_year                    1926
_chemical_compound_source        R050368
_chemical_formula_structural     'Be3 Al2 Si6 O18'
_chemical_formula_sum            'Al2 Be3 O18 Si6'
_chemical_name_systematic        'Triberyllium dialuminium catena-silicate'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.21(1)
_cell_length_b                   9.21(1)
_cell_length_c                   9.17(1)
_cell_volume                     673.6
_cod_database_code               1010541
_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            R050368.rod
_rod_data_source.block           3500000
_rod_database.code               1000615
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 1010541 COD http://www.crystallography.net/cod/1010541.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
115.6650 0.0000000E+00
116.1471 0.8965300
116.6293 6.8236999E-02
117.1114 6.4254999E-02
117.5935 1.407501
118.0756 2.897568
118.5577 3.892700
119.0398 4.612915
119.5220 5.650192
120.0041 7.442078
120.4862 9.519867
120.9683 10.80629
121.4504 10.76347
121.9325 10.87099
122.4147 12.71538
122.8968 16.46826
123.3789 19.59451
123.8610 20.12073
124.3431 19.59210
124.8252 19.33678
125.3074 19.69641
125.7895 20.59879
126.2716 21.94812
126.7537 23.92834
127.2358 26.02882
127.7179 28.15877
128.2001 30.18597
128.6822 31.94737
129.1643 33.30971
129.6464 34.28674
130.1285 35.27684
130.6106 35.84100
131.0928 36.90564
131.5749 39.19859
132.0570 42.32959
132.5391 45.46152
133.0212 47.86708
133.5033 49.38690
133.9855 51.22252
134.4676 53.60321
134.9497 56.17557
135.4318 58.95590
135.9139 62.18761
136.3960 65.60886
136.8782 69.03630
137.3603 72.45863
137.8424 76.17107
138.3245 80.37051
138.8066 83.45261
139.2887 84.26204
139.7709 82.33766
140.2530 78.52501
140.7351 73.17833
141.2172 66.47360
141.6993 60.09438
142.1814 53.33519
142.6636 46.58955
143.1457 41.02898
143.6278 37.29015
144.1099 34.51796
144.5920 31.92072
145.0741 29.43344
145.5563 26.96129
146.0384 24.32877
146.5205 21.48462
147.0026 18.72513
147.4847 16.02550
147.9668 13.52696
148.4490 11.40173
148.9311 9.761108
149.4132 8.323547
149.8953 6.705811
150.3774 4.488052
150.8595 3.050888
151.3417 2.826614
151.8238 3.096039
152.3059 3.359055
152.7880 3.460663
153.2701 3.358032
153.7522 3.007187
154.2344 2.212097
154.7165 1.376740
155.1986 0.4010160
155.6807 0.5948490
156.1628 1.419113
156.6449 1.966797
157.1271 2.307678
157.6092 2.716309
158.0913 3.317520
158.5734 3.805496
159.0555 4.345306
159.5376 4.784531
160.0198 4.585739
160.5019 3.241425
160.9840 1.112518
161.4661 0.3606570
161.9482 0.8561250
162.4303 1.085007
162.9125 1.518311
163.3946 2.130127
163.8767 2.542252
164.3588 2.361847
164.8409 1.876160
165.3230 1.609589
165.8052 1.872055
166.2873 2.140244
166.7694 1.523392
167.2515 0.4224240
167.7336 1.611984
168.2157 0.3101810
168.6979 2.091980
169.1800 4.001755
169.6621 4.671432
170.1442 4.470612
170.6263 4.455307
171.1084 4.870132
171.5906 5.069397
172.0727 4.654922
172.5548 3.966278
173.0369 3.505081
173.5190 3.977859
174.0011 4.930283
174.4833 5.510498
174.9654 5.147659
175.4475 4.980347
175.9296 5.177719
176.4117 5.747986
176.8938 6.719070
177.3760 8.183548
177.8581 10.16974
178.3402 11.50662
178.8223 11.34889
179.3044 11.43709
179.7865 12.86441
180.2687 15.19531
180.7508 16.99377
181.2329 16.88164
181.7150 14.60349
182.1971 13.69901
182.6792 14.94765
183.1614 16.69188
183.6435 18.23409
184.1256 19.45077
184.6077 20.26556
185.0898 20.63866
185.5719 20.49100
186.0540 19.73537
186.5362 17.38042
187.0183 14.98396
187.5004 14.28794
187.9825 15.55022
188.4646 17.04139
188.9467 16.92258
189.4289 15.61541
189.9110 14.83717
190.3931 15.33135
190.8752 16.47070
191.3573 17.38861
191.8394 18.10028
192.3216 18.35930
192.8037 17.62953
193.2858 16.29587
193.7679 15.22730
194.2500 14.83691
194.7321 15.01407
195.2143 15.48080
195.6964 16.55835
196.1785 17.40363
196.6606 17.55925
197.1427 17.18453
197.6248 16.61818
198.1070 16.03912
198.5891 15.44576
199.0712 14.83042
199.5533 14.27277
200.0354 13.58438
200.5175 12.43667
200.9997 11.08929
201.4818 10.11115
201.9639 10.03769
202.4460 10.89440
202.9281 11.56520
203.4102 12.10856
203.8924 12.38506
204.3745 12.22118
204.8566 11.71555
205.3387 11.09744
205.8208 10.54423
206.3029 10.04332
206.7851 9.738831
207.2672 9.964401
207.7493 10.05403
208.2314 9.492592
208.7135 8.474579
209.1956 7.709366
209.6778 7.906364
210.1599 9.256226
210.6420 10.05495
211.1241 10.29744
211.6062 10.11178
212.0883 9.311729
212.5705 8.029091
213.0526 6.755173
213.5347 5.928864
214.0168 5.633545
214.4989 5.312408
214.9810 4.509331
215.4632 4.038651
215.9453 4.836029
216.4274 6.817993
216.9095 8.536758
217.3916 8.672462
217.8737 7.186478
218.3559 6.027779
218.8380 4.789268
219.3201 4.201485
219.8022 5.460129
220.2843 8.641006
220.7664 11.32520
221.2486 11.05933
221.7307 8.520752
222.2128 6.730560
222.6949 6.369820
223.1770 6.813843
223.6591 7.456047
224.1413 8.287399
224.6234 9.237717
225.1055 10.48819
225.5876 11.74213
226.0697 12.55736
226.5518 12.40128
227.0340 11.83264
227.5161 11.72875
227.9982 12.17345
228.4803 12.76514
228.9624 13.18950
229.4445 13.62701
229.9267 14.34937
230.4088 15.48168
230.8909 16.92591
231.3730 18.57378
231.8551 20.59741
232.3372 22.38017
232.8194 23.36787
233.3015 24.09395
233.7836 25.29868
234.2657 27.48457
234.7478 30.01046
235.2299 31.34098
235.7121 30.93069
236.1942 30.37943
236.6763 29.94846
237.1584 29.72090
237.6405 29.83649
238.1227 30.38550
238.6048 31.20540
239.0869 31.89661
239.5690 32.47178
240.0511 32.85355
240.5332 33.12143
241.0154 33.20264
241.4975 32.89421
241.9796 32.10227
242.4617 31.14000
242.9438 30.79523
243.4259 31.25864
243.9081 32.13277
244.3902 33.53765
244.8723 35.18750
245.3544 36.78312
245.8365 38.22730
246.3186 39.69051
246.8007 41.59975
247.2829 44.35995
247.7650 46.99237
248.2471 48.96065
248.7292 51.03935
249.2113 54.05508
249.6934 58.26159
250.1756 63.12567
250.6577 67.66956
251.1398 72.54806
251.6219 75.92218
252.1040 78.93459
252.5861 79.92458
253.0683 76.84747
253.5504 69.27258
254.0325 59.06448
254.5146 49.13309
254.9967 39.09642
255.4788 30.36768
255.9610 22.80037
256.4431 16.62769
256.9252 12.27568
257.4073 9.779633
257.8894 8.437309
258.3716 7.367554
258.8537 6.721596
259.3358 5.981689
259.8179 5.112221
260.3000 4.178291
260.7821 3.102531
261.2643 1.898300
261.7464 0.9119720
262.2285 0.5581510
262.7106 1.002754
263.1927 1.403557
263.6748 2.012054
264.1570 2.403915
264.6391 1.934235
265.1212 0.6065900
265.6033 0.5461120
266.0854 0.4748000
266.5675 0.9081730
267.0497 2.075294
267.5318 3.198318
268.0139 3.960808
268.4960 3.861847
268.9781 2.929298
269.4602 2.029602
269.9424 1.743408
270.4245 2.099533
270.9066 2.790154
271.3887 4.135010
271.8708 5.578209
272.3529 6.821304
272.8351 7.841927
273.3172 8.461235
273.7993 8.512314
274.2814 8.057861
274.7635 7.449661
275.2456 6.431580
275.7278 5.538979
276.2099 5.167877
276.6920 5.280479
277.1741 5.630486
277.6562 6.326019
278.1383 7.046196
278.6204 7.187569
279.1025 6.429329
279.5847 5.737328
280.0668 5.667458
280.5489 6.203583
281.0310 7.192238
281.5131 8.769058
281.9952 10.56930
282.4774 12.15466
282.9595 13.59393
283.4416 14.66379
283.9237 15.18498
284.4058 15.23282
284.8879 14.94432
285.3701 14.08111
285.8522 13.24083
286.3343 13.09237
286.8164 13.60096
287.2985 14.18137
287.7806 14.48664
288.2628 14.62065
288.7449 14.95016
289.2270 15.62592
289.7091 16.25405
290.1912 16.41820
290.6733 16.26016
291.1555 16.26719
291.6376 16.77759
292.1197 17.62814
292.6018 18.32928
293.0839 18.63001
293.5660 19.22697
294.0482 20.89800
294.5303 23.16008
295.0124 25.13704
295.4945 26.09410
295.9766 26.68750
296.4587 28.42436
296.9409 31.84032
297.4230 34.90030
297.9051 36.11827
298.3872 36.52205
298.8693 37.20149
299.3514 38.32207
299.8336 40.04479
300.3157 42.84527
300.7978 46.95000
301.2799 51.10820
301.7620 55.02307
302.2441 58.69168
302.7263 62.05904
303.2084 65.08664
303.6905 67.99005
304.1726 70.99746
304.6547 74.10931
305.1368 77.25900
305.6190 80.69287
306.1011 83.94309
306.5832 86.59727
307.0653 88.64097
307.5474 90.46155
308.0295 91.92474
308.5117 93.15068
308.9938 95.77286
309.4759 100.7882
309.9580 106.3929
310.4401 111.2141
310.9222 115.4610
311.4044 120.0193
311.8865 125.5329
312.3686 131.8135
312.8507 138.0257
313.3328 143.6910
313.8149 150.1631
314.2971 158.1185
314.7792 167.3135
315.2613 177.4266
315.7434 188.4987
316.2255 200.3307
316.7076 212.1590
317.1898 223.3838
317.6719 236.6592
318.1540 255.2331
318.6361 275.6491
319.1182 294.5594
319.6003 311.3771
320.0825 325.5155
320.5646 337.4351
321.0467 347.9885
321.5288 350.8911
322.0109 342.6017
322.4930 326.0880
322.9752 301.6310
323.4573 269.1985
323.9394 233.8839
324.4215 198.7540
324.9036 164.0659
325.3857 133.2315
325.8679 106.9224
326.3500 85.29230
326.8321 68.61834
327.3142 56.47537
327.7963 46.74995
328.2784 38.36751
328.7606 31.32505
329.2427 25.58488
329.7248 21.41640
330.2069 18.19548
330.6890 15.80885
331.1711 13.97087
331.6533 12.05094
332.1354 9.483788
332.6175 6.799080
333.0996 5.255005
333.5817 5.224632
334.0638 5.104599
334.5460 3.885910
335.0281 2.197060
335.5102 0.6341480
335.9923 0.7780380
336.4744 1.751396
336.9565 1.692329
337.4387 0.5191350
337.9208 0.2709270
338.4029 0.2314830
338.8850 1.031807
339.3671 1.051544
339.8492 0.1520310
340.3314 0.7208400
340.8135 0.7738110
341.2956 0.1348340
341.7777 0.4071730
342.2598 0.7277600
342.7419 0.8906630
343.2241 0.9174800
343.7062 0.8350980
344.1883 0.7749100
344.6704 0.8022160
345.1525 0.8947070
345.6346 1.054108
346.1168 1.345695
346.5989 1.493774
347.0810 1.069832
347.5631 0.3786160
348.0452 4.0268000E-02
348.5273 5.2870000E-03
349.0095 0.3184890
349.4916 0.9067080
349.9737 1.769333
350.4558 2.327080
350.9379 2.141129
351.4200 1.570358
351.9022 1.265564
352.3843 1.397240
352.8664 1.398293
353.3485 0.5228880
353.8306 0.8930130
354.3127 1.373306
354.7949 0.1438220
355.2770 1.549408
355.7591 2.158859
356.2412 1.738632
356.7233 0.9801480
357.2054 0.1278460
357.6876 1.340744
358.1697 2.293144
358.6518 2.939392
359.1339 3.308807
359.6160 3.244690
360.0981 2.863907
360.5803 2.805893
361.0624 3.367950
361.5445 4.115288
362.0266 4.678558
362.5087 5.081131
362.9908 5.554626
363.4730 6.236755
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364.4372 7.946655
364.9193 9.019760
365.4014 9.828728
365.8835 9.916847
366.3657 9.626320
366.8478 9.625351
367.3299 10.12634
367.8120 11.02148
368.2941 12.26459
368.7762 13.99445
369.2584 15.43299
369.7405 16.09069
370.2226 16.62707
370.7047 17.64051
371.1868 19.22212
371.6689 21.18353
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372.6332 25.83744
373.1153 28.55106
373.5974 31.83098
374.0795 35.06238
374.5616 37.50826
375.0438 39.64333
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376.0080 47.91673
376.4901 54.29128
376.9722 59.78775
377.4543 63.33469
377.9365 67.38347
378.4186 72.46716
378.9007 78.05021
379.3828 83.74615
379.8649 89.38732
380.3470 94.58515
380.8292 98.78353
381.3113 101.8053
381.7934 104.2430
382.2755 105.8681
382.7576 107.1974
383.2397 108.2496
383.7219 109.2229
384.2040 110.4310
384.6861 112.0039
385.1682 114.0175
385.6503 117.7070
386.1324 124.6426
386.6146 131.5990
387.0967 137.2787
387.5788 142.8830
388.0609 149.9678
388.5430 159.1752
389.0251 170.0542
389.5073 181.8530
389.9894 194.9270
390.4715 208.2842
390.9536 221.3059
391.4357 234.9468
391.9178 250.9559
392.4000 268.7625
392.8821 285.5007
393.3642 298.8275
393.8463 308.7224
394.3284 314.4824
394.8105 317.0085
395.2927 313.9026
395.7748 303.1495
396.2569 286.6428
396.7390 267.1347
397.2211 245.6646
397.7032 222.9252
398.1854 200.1018
398.6675 176.4639
399.1496 154.6224
399.6317 135.1140
400.1138 117.6621
400.5959 102.4390
401.0780 89.48019
401.5602 78.22729
402.0423 68.36179
402.5244 59.87614
403.0065 52.61900
403.4886 46.87540
403.9707 42.04008
404.4529 37.65100
404.9350 33.76693
405.4171 30.47675
405.8992 27.92274
406.3813 25.89063
406.8634 24.00010
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407.8277 20.87414
408.3098 20.68620
408.7919 20.96547
409.2740 20.48221
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410.2383 17.18034
410.7204 16.36041
411.2025 16.13895
411.6846 15.49119
412.1667 13.91190
412.6488 12.22946
413.1310 11.51375
413.6131 11.78603
414.0952 12.24952
414.5773 13.07449
415.0594 13.87662
415.5415 14.21988
416.0237 14.04322
416.5058 13.53294
416.9879 12.77172
417.4700 11.84253
417.9521 11.18955
418.4342 10.83482
418.9164 10.67715
419.3985 10.86851
419.8806 11.18481
420.3627 11.39863
420.8448 11.43266
421.3269 11.08101
421.8091 9.929474
422.2912 7.378044
422.7733 5.822365
423.2554 5.835899
423.7375 6.259659
424.2196 6.588760
424.7018 6.734695
425.1839 6.687172
425.6660 6.407700
426.1481 5.958672
426.6302 5.758385
427.1123 5.700752
427.5945 6.078568
428.0766 7.302635
428.5587 8.778969
429.0408 9.955658
429.5229 10.65581
430.0050 11.03744
430.4872 11.22243
430.9693 11.07339
431.4514 11.29902
431.9335 12.12924
432.4156 13.17757
432.8977 14.28992
433.3799 15.50193
433.8620 16.91943
434.3441 18.52637
434.8262 20.43727
435.3083 23.21115
435.7904 27.39333
436.2726 30.89200
436.7547 32.04445
437.2368 32.67362
437.7189 34.47826
438.2010 37.82856
438.6831 41.50896
439.1653 44.39378
439.6474 46.66447
440.1295 49.38499
440.6116 52.83658
441.0937 56.51867
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