#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:38:04 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1200 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000614.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_1000614
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        R050347
_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            R050347.rod
_rod_data_source.block           3500000
_rod_database.code               1000614
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
127.7179 0.0000000E+00
128.2001 1.9928001E-02
128.6822 0.6069560
129.1643 1.573769
129.6464 2.742409
130.1285 3.518738
130.6107 3.315132
131.0928 3.173248
131.5749 3.309212
132.0570 3.704582
132.5391 4.230377
133.0212 4.760109
133.5034 5.260490
133.9855 5.947250
134.4676 6.923531
134.9497 7.979362
135.4318 9.098618
135.9139 10.24937
136.3960 11.25169
136.8782 11.80406
137.3603 11.76306
137.8424 12.05541
138.3245 13.07370
138.8066 14.32884
139.2887 15.32438
139.7709 15.99537
140.2530 16.26330
140.7351 15.78397
141.2172 14.58333
141.6993 13.64584
142.1814 13.68479
142.6636 14.21305
143.1457 14.70418
143.6278 14.56847
144.1099 14.38136
144.5920 15.01546
145.0741 15.99752
145.5563 16.80543
146.0384 16.85894
146.5205 15.63221
147.0026 14.23543
147.4847 13.08179
147.9668 12.05891
148.4490 11.04048
148.9311 10.06786
149.4132 9.027000
149.8953 7.953491
150.3774 6.879417
150.8595 5.945450
151.3417 5.235596
151.8238 4.591011
152.3059 3.830589
152.7880 2.919502
153.2701 1.986572
153.7522 1.345032
154.2344 1.443085
154.7165 1.371567
155.1986 0.9263230
155.6807 0.3392560
156.1628 7.7506997E-02
156.6449 0.1547320
157.1271 9.3149999E-03
157.6092 8.0180001E-03
158.0913 0.3350520
158.5734 0.6137310
159.0555 0.6575010
159.5376 0.5396580
160.0198 0.4717030
160.5019 0.6135100
160.9840 0.8616640
161.4661 0.8521960
161.9482 0.3066410
162.4303 0.2169950
162.9125 0.2413480
163.3946 0.2243730
163.8767 0.6418910
164.3588 0.6846080
164.8409 0.4499210
165.3230 9.0797000E-02
165.8052 0.5283890
166.2873 1.134659
166.7694 1.294464
167.2515 0.8645480
167.7336 0.4377750
168.2157 0.3438800
168.6979 0.4204250
169.1800 0.4505690
169.6621 0.2270200
170.1442 3.8596999E-02
170.6263 0.3437270
171.1084 2.031677
171.5906 3.304115
172.0727 3.426239
172.5548 2.898460
173.0369 2.401062
173.5190 2.369339
174.0011 2.741104
174.4833 3.011185
174.9654 2.985374
175.4475 3.056793
175.9296 3.491165
176.4117 4.093010
176.8938 4.465866
177.3760 4.271370
177.8581 3.486488
178.3402 3.113556
178.8223 3.354561
179.3044 3.753540
179.7865 4.288971
180.2687 4.874641
180.7508 5.337158
181.2329 5.521072
181.7150 5.398109
182.1971 5.230515
182.6792 4.879295
183.1614 4.602570
183.6435 4.559380
184.1256 4.751686
184.6077 5.075821
185.0898 5.477753
185.5719 6.011757
186.0541 6.445847
186.5362 6.865456
187.0183 7.125587
187.5004 6.965561
187.9825 6.330986
188.4646 5.733414
188.9468 5.723038
189.4289 6.171356
189.9110 6.583908
190.3931 6.862953
190.8752 7.038864
191.3573 7.217270
191.8395 7.493362
192.3216 7.508865
192.8037 6.724304
193.2858 5.459709
193.7679 4.441948
194.2500 4.165543
194.7322 4.406494
195.2143 4.428658
195.6964 4.125038
196.1785 3.735634
196.6606 3.298088
197.1427 2.878731
197.6249 2.634220
198.1070 2.712036
198.5891 3.081017
199.0712 3.436954
199.5533 3.842949
200.0354 4.158684
200.5176 4.303318
200.9997 4.314240
201.4818 4.281487
201.9639 4.298767
202.4460 4.381794
202.9281 4.345192
203.4103 3.938110
203.8924 3.516155
204.3745 3.156422
204.8566 2.912460
205.3387 2.859745
205.8208 3.010033
206.3030 3.327690
206.7851 3.673187
207.2672 4.154884
207.7493 4.625893
208.2314 5.084232
208.7135 5.458035
209.1957 5.597561
209.6778 5.373062
210.1599 4.713921
210.6420 4.459827
211.1241 4.878082
211.6062 5.323044
212.0884 5.479908
212.5705 5.360527
213.0526 5.185131
213.5347 5.146164
214.0168 5.257462
214.4989 5.318401
214.9811 5.395428
215.4632 5.391663
215.9453 5.135120
216.4274 4.651913
216.9095 4.256504
217.3916 4.276459
217.8737 4.716927
218.3559 4.912525
218.8380 4.601528
219.3201 4.209576
219.8022 4.203663
220.2843 4.610416
220.7664 4.933430
221.2486 4.618942
221.7307 3.845329
222.2128 3.429485
222.6949 3.837948
223.1770 4.506805
223.6591 4.751297
224.1413 4.485077
224.6234 4.152367
225.1055 4.051952
225.5876 4.109089
226.0697 4.214840
226.5518 4.342602
227.0340 4.505173
227.5161 4.736187
227.9982 5.051941
228.4803 5.369118
228.9624 5.575817
229.4445 5.745861
229.9267 5.991749
230.4088 6.379105
230.8909 6.840252
231.3730 7.293415
231.8551 7.830338
232.3372 8.115440
232.8194 7.756592
233.3015 7.171280
233.7836 6.854755
234.2657 7.044987
234.7478 7.561150
235.2299 8.033619
235.7121 8.525848
236.1942 8.825729
236.6763 8.661404
237.1584 8.391609
237.6405 8.456928
238.1227 9.091877
238.6048 9.995594
239.0869 10.34995
239.5690 9.691818
240.0511 9.292645
240.5332 9.667652
241.0154 10.25953
241.4975 10.43535
241.9796 9.917149
242.4617 9.069241
242.9438 8.855030
243.4259 9.927849
243.9081 10.61226
244.3902 10.41117
244.8723 9.926792
245.3544 9.741268
245.8365 10.07815
246.3186 10.72811
246.8008 11.22284
247.2829 11.50654
247.7650 11.68632
248.2471 11.61892
248.7292 11.53220
249.2113 11.72549
249.6935 12.27931
250.1756 12.90884
250.6577 13.03927
251.1398 12.07226
251.6219 11.45676
252.1040 11.50656
252.5862 11.72823
253.0683 11.72188
253.5504 11.36255
254.0325 10.72552
254.5146 9.925797
254.9967 8.907566
255.4789 7.804787
255.9610 6.529823
256.4431 5.232357
256.9252 3.976025
257.4073 2.789032
257.8894 1.785469
258.3716 1.145107
258.8537 1.084137
259.3358 0.8384860
259.8179 7.2665997E-02
260.3000 0.6788860
260.7821 0.8214570
261.2643 0.2860640
261.7464 0.3207860
262.2285 0.2791560
262.7106 0.6255610
263.1927 1.123466
263.6748 0.8422970
264.1570 0.3698730
264.6391 0.2453190
265.1212 0.5118410
265.6033 0.7763520
266.0854 0.6209870
266.5675 2.6974000E-02
267.0497 0.2999230
267.5318 4.3460999E-02
268.0139 0.2792360
268.4960 0.2250020
268.9781 0.2219430
269.4602 0.7604370
269.9424 1.227467
270.4245 1.587605
270.9066 1.747002
271.3887 1.493565
271.8708 1.197777
272.3529 1.089840
272.8351 1.174995
273.3172 1.482769
273.7993 2.169205
274.2814 3.062244
274.7635 3.625225
275.2456 3.664227
275.7278 3.579967
276.2099 3.618618
276.6920 3.770412
277.1741 3.974857
277.6562 4.255081
278.1383 4.537949
278.6205 4.657406
279.1026 4.504089
279.5847 4.421734
280.0668 4.699383
280.5489 5.284775
281.0310 5.842243
281.5132 6.234501
281.9953 6.559864
282.4774 6.931839
282.9595 7.337391
283.4416 7.855968
283.9237 8.692448
284.4059 9.726990
284.8880 10.39523
285.3701 10.32403
285.8522 10.17818
286.3343 10.75572
286.8164 12.01405
287.2986 13.14304
287.7807 13.52325
288.2628 13.41441
288.7449 13.67981
289.2270 14.55527
289.7091 15.62701
290.1913 16.72346
290.6734 17.77032
291.1555 18.48042
291.6376 18.47680
292.1197 18.06385
292.6018 18.04244
293.0840 18.68415
293.5661 19.17170
294.0482 18.76735
294.5303 17.84647
295.0124 17.07066
295.4945 16.72985
295.9767 16.69667
296.4588 16.80979
296.9409 17.13397
297.4230 17.39471
297.9051 17.33773
298.3872 17.15916
298.8694 17.10095
299.3515 17.27792
299.8336 17.54053
300.3157 17.65393
300.7978 17.57221
301.2799 17.56846
301.7621 17.86427
302.2442 18.23860
302.7263 18.41352
303.2084 18.28482
303.6905 18.29274
304.1726 19.06680
304.6548 20.65104
305.1369 21.87041
305.6190 22.03162
306.1011 22.06343
306.5832 22.76505
307.0653 24.16716
307.5475 25.58096
308.0296 26.45125
308.5117 26.81293
308.9938 27.06912
309.4759 27.09217
309.9580 27.23774
310.4402 27.75130
310.9223 28.57759
311.4044 29.50124
311.8865 30.30717
312.3686 31.07565
312.8507 32.20766
313.3329 33.86917
313.8150 35.63042
314.2971 37.39389
314.7792 39.08218
315.2613 40.53389
315.7434 41.57865
316.2256 42.41733
316.7077 43.45238
317.1898 44.67304
317.6719 46.14193
318.1540 48.01175
318.6361 50.08402
319.1183 52.15952
319.6004 54.16497
320.0825 56.13790
320.5646 58.15722
321.0467 60.27288
321.5288 62.30864
322.0110 64.63138
322.4931 66.53779
322.9752 67.48495
323.4573 67.38825
323.9394 66.37288
324.4215 64.49248
324.9037 61.74001
325.3858 58.23894
325.8679 53.70820
326.3500 48.67177
326.8321 43.30595
327.3142 37.69414
327.7964 32.37370
328.2785 27.65547
328.7606 23.51978
329.2427 19.81521
329.7248 16.50642
330.2069 13.73825
330.6891 11.67980
331.1712 10.15477
331.6533 8.798599
332.1354 7.391479
332.6175 6.077637
333.0996 5.231846
333.5818 5.001785
334.0639 4.747383
334.5460 4.016777
335.0281 3.126949
335.5102 2.431309
335.9923 2.031071
336.4745 1.813869
336.9566 1.691582
337.4387 1.672760
337.9208 1.614513
338.4029 1.474377
338.8850 1.265228
339.3671 0.9624710
339.8492 0.5512620
340.3314 0.2105140
340.8135 0.1332320
341.2956 0.2704810
341.7777 0.3119850
342.2598 0.1505010
342.7419 4.4468001E-02
343.2241 0.1301800
343.7062 0.1218150
344.1883 8.4891997E-02
344.6704 2.9716000E-02
345.1525 2.9072000E-02
345.6346 7.3390998E-02
346.1168 0.1192360
346.5989 9.6256003E-02
347.0810 0.1645890
347.5631 0.5215800
348.0452 0.7116090
348.5273 0.5904770
349.0095 0.3440170
349.4916 0.1467860
349.9737 1.4990000E-03
350.4558 5.8254000E-02
350.9379 8.2053997E-02
351.4200 0.2756610
351.9022 0.2599720
352.3843 7.6149002E-02
352.8664 0.3443410
353.3485 0.2004700
353.8306 0.2488480
354.3127 0.5821380
354.7949 0.6769830
355.2770 0.6268080
355.7591 0.5145340
356.2412 0.3401220
356.7233 0.2187390
357.2054 0.2616270
357.6876 0.3610190
358.1697 0.3401570
358.6518 0.1688690
359.1339 7.0796996E-02
359.6160 0.3617210
360.0981 0.6758230
360.5803 0.8540270
361.0624 0.7444840
361.5445 0.5911180
362.0266 0.5250130
362.5087 0.5647160
362.9908 0.8555150
363.4730 1.603710
363.9551 2.584278
364.4372 3.126904
364.9193 3.107838
365.4014 2.907207
365.8835 2.490486
366.3657 2.019699
366.8478 1.873726
367.3299 2.219398
367.8120 2.756935
368.2941 2.968601
368.7762 2.719326
369.2584 2.757549
369.7405 3.481537
370.2226 4.365559
370.7047 4.827972
371.1868 4.821495
371.6689 4.788975
372.1511 5.117416
372.6332 5.831806
373.1153 6.631298
373.5974 7.672588
374.0795 8.644634
374.5616 9.282578
375.0438 9.724743
375.5259 10.33856
376.0080 11.32736
376.4901 12.61137
376.9722 13.91317
377.4543 15.19062
377.9365 16.53486
378.4186 17.99527
378.9007 19.51035
379.3828 21.00349
379.8649 22.45430
380.3470 23.89336
380.8292 25.36280
381.3113 26.88709
381.7934 28.38571
382.2755 29.79140
382.7576 31.23380
383.2397 32.90901
383.7219 34.71657
384.2040 36.25165
384.6861 37.11010
385.1682 37.37925
385.6503 38.44314
386.1324 41.23760
386.6146 43.82211
387.0967 45.78313
387.5788 47.35947
388.0609 48.71358
388.5430 49.91794
389.0251 51.35340
389.5073 53.92559
389.9894 58.46380
390.4715 62.41876
390.9536 65.15128
391.4357 67.72676
391.9178 70.86053
392.4000 74.58253
392.8821 78.46819
393.3642 82.16956
393.8463 85.69511
394.3284 88.92188
394.8105 91.84763
395.2927 94.46568
395.7748 96.85960
396.2569 98.94289
396.7390 100.6715
397.2211 102.1133
397.7032 102.9852
398.1854 102.6599
398.6675 101.0717
399.1496 98.46464
399.6317 94.46330
400.1138 89.71107
400.5959 84.49287
401.0781 78.88495
401.5602 73.19954
402.0423 67.65839
402.5244 62.28548
403.0065 57.22669
403.4886 52.57243
403.9708 48.17681
404.4529 43.84034
404.9350 39.63093
405.4171 35.73256
405.8992 32.20156
406.3813 29.10034
406.8635 26.50618
407.3456 24.42659
407.8277 22.71865
408.3098 21.44569
408.7919 20.42809
409.2740 19.32128
409.7562 18.00823
410.2383 16.90803
410.7204 16.42095
411.2025 16.33140
411.6846 15.95956
412.1667 15.05987
412.6489 14.10180
413.1310 13.67686
413.6131 13.73278
414.0952 13.89254
414.5773 14.37744
415.0594 14.78587
415.5416 14.54409
416.0237 13.73902
416.5058 13.23925
416.9879 13.71509
417.4700 14.93925
417.9521 15.65274
418.4343 15.47008
418.9164 15.25446
419.3985 15.17439
419.8806 15.27503
420.3627 15.68021
420.8448 16.40977
421.3270 17.16712
421.8091 17.55601
422.2912 17.50410
422.7733 17.25467
423.2554 16.74609
423.7375 16.11406
424.2197 15.43196
424.7018 14.70027
425.1839 13.85471
425.6660 12.81326
426.1481 11.65595
426.6302 10.93800
427.1124 11.08274
427.5945 11.14055
428.0766 10.95114
428.5587 10.62082
429.0408 10.24101
429.5229 9.852230
430.0051 9.566147
430.4872 9.616585
430.9693 10.15282
431.4514 10.40229
431.9335 9.956184
432.4156 9.557682
432.8978 9.545547
433.3799 9.845802
433.8620 10.21352
434.3441 10.49714
434.8262 10.77851
435.3083 11.17135
435.7905 11.60614
436.2726 12.15002
436.7547 13.00325
437.2368 13.87178
437.7189 14.43562
438.2010 14.61809
438.6832 14.77448
439.1653 15.22151
439.6474 15.91230
440.1295 16.61024
440.6116 17.30499
441.0938 17.94841
441.5759 18.47839
442.0580 18.92057
442.5401 19.34304
443.0222 19.72728
443.5043 20.12363
443.9865 20.64759
444.4686 21.27085
444.9507 21.74437
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