#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:37:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1198 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000612.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_1000612
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        R050305
_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            R050305.rod
_rod_data_source.block           3500000
_rod_database.code               1000612
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
127.2358 0.0000000E+00
127.7179 0.2207640
128.2001 1.752319
128.6822 3.203644
129.1643 3.734207
129.6464 3.397079
130.1285 3.255814
130.6107 3.594803
131.0928 3.811661
131.5749 3.702347
132.0570 3.382538
132.5391 2.992569
133.0212 2.633255
133.5034 2.263733
133.9855 2.213623
134.4676 2.604950
134.9497 3.145508
135.4318 3.836380
135.9139 4.615662
136.3961 5.414551
136.8782 5.724823
137.3603 4.775589
137.8424 4.282745
138.3245 4.451584
138.8066 4.889603
139.2888 5.102554
139.7709 4.978271
140.2530 4.684525
140.7351 4.494858
141.2172 4.419922
141.6993 4.233765
142.1815 3.842331
142.6636 3.297379
143.1457 2.781326
143.6278 2.402756
144.1099 1.979187
144.5920 1.246597
145.0742 0.2347870
145.5563 0.6234280
146.0384 0.8474580
146.5205 0.3517300
147.0026 2.0081000E-02
147.4847 3.5370000E-02
147.9668 0.1581270
148.4490 0.1721950
148.9311 3.4790002E-02
149.4132 0.2021330
149.8953 0.4614870
150.3774 0.8114930
150.8595 1.034424
151.3417 0.9543910
151.8238 0.8513340
152.3059 1.031403
152.7880 1.594162
153.2701 2.301422
153.7522 2.544525
154.2344 1.478073
154.7165 0.8967440
155.1986 1.151306
155.6807 1.846451
156.1628 2.518341
156.6449 2.938919
157.1271 3.168884
157.6092 3.353500
158.0913 3.442093
158.5734 3.438202
159.0555 3.286362
159.5376 3.089859
160.0198 3.117004
160.5019 3.575119
160.9840 4.325729
161.4661 4.770691
161.9482 4.762772
162.4303 4.989456
162.9125 5.169586
163.3946 5.255737
163.8767 5.486862
164.3588 5.236221
164.8409 4.838974
165.3230 4.582458
165.8052 4.526886
166.2873 4.571930
166.7694 4.955292
167.2515 5.860260
167.7336 6.661697
168.2157 7.107224
168.6979 7.198303
169.1800 6.912872
169.6621 6.067711
170.1442 5.014900
170.6263 4.993889
171.1084 6.770058
171.5906 7.954887
172.0727 8.147034
172.5548 7.862297
173.0369 7.643051
173.5190 7.675018
174.0011 8.031532
174.4833 8.162331
174.9654 7.783890
175.4475 7.447777
175.9296 7.273376
176.4117 7.209320
176.8938 7.145393
177.3760 6.991165
177.8581 6.748726
178.3402 6.804543
178.8223 7.687576
179.3044 8.332123
179.7865 8.229668
180.2687 7.520538
180.7508 6.687538
181.2329 6.137856
181.7150 5.901901
182.1971 5.610901
182.6792 5.195137
183.1614 4.791367
183.6435 4.473183
184.1256 4.245987
184.6077 4.092499
185.0898 4.117676
185.5719 4.265648
186.0541 4.074722
186.5362 3.210205
187.0183 2.186745
187.5004 1.410774
187.9825 0.9158710
188.4646 0.7386550
188.9468 1.130859
189.4289 1.940880
189.9110 2.553032
190.3931 2.776833
190.8752 2.737892
191.3573 2.577660
191.8395 2.243462
192.3216 1.967140
192.8037 2.031387
193.2858 2.298851
193.7679 2.451546
194.2500 2.236649
194.7322 1.785172
195.2143 1.585999
195.6964 1.980164
196.1785 2.081375
196.6606 1.046852
197.1427 0.6243740
197.6249 1.801056
198.1070 1.421509
198.5891 0.2926710
199.0712 1.104553
199.5533 3.7310000E-03
200.0354 0.9320070
200.5176 0.7193600
200.9997 0.3144000
201.4818 1.402397
201.9639 1.977272
202.4460 2.034668
202.9281 1.843071
203.4103 0.8152310
203.8924 2.5185000E-02
204.3745 3.6476001E-02
204.8566 0.4726640
205.3387 1.130653
205.8208 1.607437
206.3030 1.909081
206.7851 1.965469
207.2672 1.589638
207.7493 1.178162
208.2314 0.7601930
208.7135 0.4141240
209.1957 0.3238830
209.6778 0.7117540
210.1599 1.680977
210.6420 2.343109
211.1241 2.585785
211.6062 2.667854
212.0884 2.871735
212.5705 3.114861
213.0526 2.903267
213.5347 1.589752
214.0168 1.028503
214.4989 2.169601
214.9811 0.7088390
215.4632 1.204056
215.9453 2.309669
216.4274 2.503029
216.9095 2.112793
217.3916 1.147614
217.8738 0.3429260
218.3559 0.8146440
218.8380 0.6463780
219.3201 2.554779
219.8022 3.659058
220.2843 3.866707
220.7665 3.760628
221.2486 3.745102
221.7307 3.782036
222.2128 3.726349
222.6949 3.435822
223.1770 3.104561
223.6592 2.912857
224.1413 2.855820
224.6234 3.008255
225.1055 3.659103
225.5876 4.540962
226.0697 5.163986
226.5519 5.377480
227.0340 5.278053
227.5161 4.843384
227.9982 3.879417
228.4803 3.264626
228.9624 3.809944
229.4446 4.943001
229.9267 5.993889
230.4088 6.811401
230.8909 7.331696
231.3730 7.301476
231.8551 6.425674
232.3373 5.754410
232.8194 5.937454
233.3015 6.481491
233.7836 6.802025
234.2657 6.609406
234.7478 6.137688
235.2300 5.899048
235.7121 5.922050
236.1942 6.146843
236.6763 6.809715
237.1584 7.532257
237.6405 7.845947
238.1227 7.500740
238.6048 6.821053
239.0869 6.662148
239.5690 7.371254
240.0511 8.014870
240.5332 8.471069
241.0154 8.761856
241.4975 8.825249
241.9796 8.628281
242.4617 8.360497
242.9438 8.537331
243.4259 9.621307
243.9081 10.42786
244.3902 10.79329
244.8723 10.86491
245.3544 10.71754
245.8365 10.38925
246.3186 9.989616
246.8008 9.777069
247.2829 9.973396
247.7650 10.04007
248.2471 9.972488
248.7292 9.762138
249.2113 9.339119
249.6935 8.693916
250.1756 7.972786
250.6577 7.470566
251.1398 7.410049
251.6219 7.265190
252.1040 6.829857
252.5862 6.417755
253.0683 6.543030
253.5504 7.297928
254.0325 7.996414
254.5146 7.439041
254.9967 4.327438
255.4789 2.186226
255.9610 1.690742
256.4431 1.999107
256.9252 2.340706
257.4073 2.478737
257.8894 2.421669
258.3716 2.274216
258.8537 2.021591
259.3358 1.845947
259.8179 1.689346
260.3000 1.613098
260.7821 1.752014
261.2643 2.100960
261.7464 2.378601
262.2285 2.235489
262.7106 1.527252
263.1927 1.357155
263.6748 2.400688
264.1570 3.555923
264.6391 3.688850
265.1212 2.730148
265.6033 1.779572
266.0854 2.029953
266.5675 3.533165
267.0497 4.160934
267.5318 2.885620
268.0139 1.420731
268.4960 1.330048
268.9781 2.632133
269.4602 3.949097
269.9424 4.270859
270.4245 3.644409
270.9066 2.958832
271.3887 1.951172
271.8708 0.9969180
272.3529 0.5761030
272.8351 0.8125690
273.3172 1.192436
273.7993 1.389000
274.2814 1.417831
274.7635 1.400978
275.2456 1.196335
275.7278 1.052917
276.2099 1.340973
276.6920 2.092392
277.1741 2.635406
277.6562 2.507805
278.1383 2.072327
278.6205 2.105659
279.1026 2.813286
279.5847 3.635857
280.0668 4.348351
280.5489 4.926819
281.0310 4.840775
281.5132 3.490723
281.9953 1.835709
282.4774 1.211006
282.9595 1.736275
283.4416 2.471146
283.9237 2.874420
284.4059 3.033844
284.8880 3.330536
285.3701 3.922798
285.8522 4.585831
286.3343 5.141136
286.8164 5.602173
287.2986 6.045013
287.7807 6.623314
288.2628 7.227325
288.7449 7.447777
289.2270 7.083656
289.7091 6.583374
290.1913 6.212669
290.6734 5.988701
291.1555 6.009651
291.6376 6.430397
292.1197 7.118149
292.6018 7.829819
293.0840 8.659996
293.5661 9.249168
294.0482 9.338890
294.5303 9.079575
295.0124 8.673813
295.4945 7.976875
295.9767 7.231110
296.4588 7.038284
296.9409 7.666260
297.4230 8.187271
297.9051 7.988571
298.3872 7.472099
298.8694 7.046692
299.3515 6.757538
299.8336 6.659286
300.3157 7.015091
300.7978 7.959007
301.2799 8.692741
301.7621 8.936516
302.2442 8.795845
302.7263 8.136047
303.2084 6.819542
303.6905 5.714050
304.1726 6.024994
304.6548 7.846031
305.1369 8.981247
305.6190 8.255135
306.1011 7.166016
306.5832 6.955482
307.0653 7.680138
307.5475 8.432198
308.0296 8.331558
308.5117 7.473251
308.9938 7.046158
309.4759 7.505272
309.9580 8.079109
310.4402 8.165794
310.9223 7.886223
311.4044 7.727394
311.8865 8.154991
312.3686 8.994186
312.8507 9.406677
313.3329 9.018654
313.8150 8.826317
314.2971 9.581993
314.7792 10.86468
315.2613 11.88898
315.7434 12.16789
316.2256 12.05720
316.7077 12.37617
317.1898 13.31250
317.6719 14.16431
318.1540 14.49435
318.6361 14.62862
319.1183 14.91050
319.6004 15.45468
320.0825 16.14184
320.5646 16.91553
321.0467 17.84453
321.5288 18.43427
322.0110 18.08623
322.4931 17.59336
322.9752 17.67303
323.4573 18.44852
323.9394 19.24464
324.4215 19.43160
324.9037 19.01300
325.3858 18.46137
325.8679 17.90002
326.3500 17.15276
326.8321 16.08721
327.3142 14.72613
327.7964 13.24264
328.2785 11.53496
328.7606 9.738564
329.2427 8.563087
329.7248 8.337334
330.2069 8.257034
330.6891 7.800171
331.1712 7.115265
331.6533 6.533295
332.1354 6.427338
332.6175 6.403831
333.0996 5.427933
333.5818 3.053040
334.0639 1.165268
334.5460 1.433968
335.0281 2.477829
335.5102 2.663185
335.9923 1.284897
336.4745 0.4006420
336.9566 0.7602770
337.4387 0.3008350
337.9208 1.052544
338.4029 0.6622700
338.8850 0.1022720
339.3672 0.5111080
339.8493 0.5007780
340.3314 0.3158110
340.8135 2.6466001E-02
341.2956 0.3305590
341.7777 0.4488600
342.2599 5.8853000E-02
342.7420 0.2625730
343.2241 0.1708070
343.7062 1.185890
344.1883 1.880745
344.6704 1.551628
345.1526 0.6484680
345.6347 0.1549000
346.1168 0.1888430
346.5989 0.4133830
347.0810 0.7550280
347.5631 1.108818
348.0453 1.257935
348.5274 1.024582
349.0095 0.6742710
349.4916 0.5717850
349.9737 0.7270430
350.4558 0.6973270
350.9380 0.1451490
351.4201 0.6400990
351.9022 1.228699
352.3843 1.640533
352.8664 1.740196
353.3485 1.149429
353.8307 9.5069997E-02
354.3128 0.4705280
354.7949 0.1406860
355.2770 0.5294340
355.7591 0.9184190
356.2412 1.048561
356.7234 0.9049450
357.2055 0.2844700
357.6876 0.5512850
358.1697 1.262901
358.6518 1.834885
359.1339 2.074631
359.6161 1.595665
360.0982 0.5600590
360.5803 0.1259770
361.0624 0.1850200
361.5445 1.9112000E-02
362.0266 0.2618180
362.5088 0.5279080
362.9909 0.7696760
363.4730 0.9932330
363.9551 1.147568
364.4372 1.079391
364.9193 0.5608830
365.4015 0.2131810
365.8836 0.3909070
366.3657 0.9099810
366.8478 1.469734
367.3299 2.012451
367.8120 2.379921
368.2942 2.191116
368.7763 1.226791
369.2584 0.7074810
369.7405 1.129860
370.2226 1.879951
370.7047 2.348244
371.1869 2.467361
371.6690 2.559532
372.1511 2.931335
372.6332 3.599968
373.1153 4.124435
373.5974 4.437126
374.0796 4.693779
374.5617 5.027466
375.0438 5.370796
375.5259 5.494247
376.0080 5.227043
376.4901 4.755478
376.9723 4.752853
377.4544 5.482857
377.9365 6.327789
378.4186 7.580170
378.9007 8.758591
379.3828 9.072571
379.8650 8.376945
380.3471 7.597267
380.8292 8.104019
381.3113 10.59091
381.7934 12.31405
382.2755 12.64698
382.7577 12.86783
383.2398 13.70569
383.7219 15.10983
384.2040 16.63632
384.6861 17.93615
385.1682 19.02819
385.6504 20.16696
386.1325 21.59115
386.6146 22.78727
387.0967 23.37102
387.5788 23.76544
388.0609 24.46022
388.5431 25.66396
389.0252 27.32574
389.5073 29.36906
389.9894 31.86943
390.4715 34.63805
390.9536 38.11491
391.4358 41.46772
391.9179 44.02644
392.4000 45.83283
392.8821 47.54575
393.3642 49.77768
393.8463 52.54346
394.3285 55.45976
394.8106 58.86710
395.2927 62.14792
395.7748 64.84336
396.2569 67.23677
396.7390 69.92283
397.2212 73.32726
397.7033 76.90054
398.1854 79.35472
398.6675 80.56585
399.1496 81.05543
399.6317 80.85140
400.1139 80.04565
400.5960 78.63857
401.0781 76.67421
401.5602 74.14319
402.0423 70.95314
402.5244 67.14834
403.0066 63.08377
403.4887 58.63874
403.9708 54.19157
404.4529 49.88596
404.9350 45.77263
405.4171 41.97089
405.8993 38.49350
406.3814 35.39911
406.8635 32.89381
407.3456 31.04363
407.8277 29.13441
408.3098 26.64540
408.7920 23.93852
409.2741 21.58140
409.7562 19.64262
410.2383 17.96931
410.7204 16.23378
411.2025 14.72131
411.6847 14.35332
412.1668 15.57796
412.6489 17.12759
413.1310 17.31165
413.6131 16.19423
414.0952 15.18799
414.5774 14.67481
415.0595 14.33498
415.5416 13.79263
416.0237 13.04063
416.5058 12.33676
416.9879 11.79852
417.4701 11.46719
417.9522 11.55899
418.4343 12.64401
418.9164 13.39019
419.3985 13.23537
419.8806 12.57123
420.3628 11.88935
420.8449 11.34920
421.3270 11.09117
421.8091 11.39043
422.2912 12.66199
422.7733 13.38531
423.2555 13.25512
423.7376 12.87016
424.2197 12.51748
424.7018 12.21468
425.1839 11.90101
425.6660 11.55130
426.1482 11.16051
426.6303 10.54485
427.1124 9.021690
427.5945 8.153549
428.0766 8.792831
428.5587 9.831528
429.0409 10.08916
429.5230 9.236908
430.0051 7.918282
430.4872 6.942986
430.9693 6.283310
431.4514 6.104042
431.9336 6.865921
432.4157 7.709534
432.8978 8.366165
433.3799 8.826942
433.8620 9.161438
434.3441 9.413460
434.8263 9.565018
435.3084 9.533791
435.7905 9.275421
436.2726 9.063744
436.7547 8.892624
437.2368 8.770752
437.7190 8.838402
438.2011 9.182365
438.6832 9.369942
439.1653 8.790344
439.6474 7.643173
440.1295 7.054794
440.6117 7.299934
441.0938 7.881104
441.5759 8.485237
442.0580 9.110191
442.5401 9.732475
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