#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:37:53 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1197 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000611.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_1000611
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        R050121
_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            R050121.rod
_rod_data_source.block           3500000
_rod_database.code               1000611
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
109.6931 0.0000000E+00
110.1752 0.1707040
110.6573 0.2331540
111.1394 5.8860999E-02
111.6215 4.5069002E-02
112.1036 4.8785999E-02
112.5858 0.3726060
113.0679 0.6240670
113.5500 0.7036360
114.0321 0.7820950
114.5142 1.020559
114.9964 1.442659
115.4785 1.869595
115.9606 2.045366
116.4427 1.987015
116.9248 2.007681
117.4069 2.237797
117.8891 2.589186
118.3712 2.886974
118.8533 3.094059
119.3354 3.235806
119.8175 3.322296
120.2996 3.359564
120.7818 3.417128
121.2639 3.567171
121.7460 3.817595
122.2281 4.042231
122.7102 4.199472
123.1923 4.328331
123.6745 4.438860
124.1566 4.531565
124.6387 4.591766
125.1208 4.591181
125.6029 4.486443
126.0850 4.413324
126.5672 4.375975
127.0493 4.370489
127.5314 4.408506
128.0135 4.492643
128.4956 4.596527
128.9777 4.645557
129.4599 4.424053
129.9420 4.394690
130.4241 4.752728
130.9062 5.299774
131.3883 5.726412
131.8705 5.851868
132.3526 5.751144
132.8347 5.883274
133.3168 6.386208
133.7989 6.888233
134.2810 7.303936
134.7632 7.510464
135.2453 7.714327
135.7274 8.179804
136.2095 8.906183
136.6916 9.458426
137.1737 9.817650
137.6559 10.14418
138.1380 10.47784
138.6201 10.87445
139.1022 11.14842
139.5843 11.06789
140.0664 10.81012
140.5486 10.61543
141.0307 10.64190
141.5128 10.79255
141.9949 10.76836
142.4770 10.45650
142.9591 10.12596
143.4413 9.897808
143.9234 9.738142
144.4055 9.587257
144.8876 9.429865
145.3697 9.267664
145.8518 8.948523
146.3340 8.402485
146.8161 7.745825
147.2982 6.930824
147.7803 6.013166
148.2624 5.117666
148.7445 4.361814
149.2267 3.775478
149.7088 3.244349
150.1909 2.747530
150.6730 2.306261
151.1551 1.950148
151.6372 1.674244
152.1194 1.432688
152.6015 1.162058
153.0836 0.8300990
153.5657 0.5758570
154.0478 0.4521330
154.5299 0.3802570
155.0121 0.2735330
155.4942 0.1070940
155.9763 6.0410999E-02
156.4584 0.1130100
156.9405 3.6180001E-02
157.4227 1.2486000E-02
157.9048 0.1667820
158.3869 0.4046670
158.8690 0.5109290
159.3511 0.3837890
159.8332 0.1798380
160.3154 8.0246001E-02
160.7975 8.2386002E-02
161.2796 0.1426850
161.7617 0.2980500
162.2438 0.5332240
162.7259 0.6251510
163.2081 0.3856450
163.6902 9.0078004E-02
164.1723 4.7424000E-02
164.6544 7.8769997E-03
165.1365 8.4190004E-02
165.6186 9.2196003E-02
166.1008 5.7130000E-03
166.5829 9.2799999E-02
167.0650 0.1071030
167.5471 0.1408350
168.0292 0.2565140
168.5113 0.4673440
168.9935 0.7071000
169.4756 0.8509250
169.9577 0.8129860
170.4398 0.8565520
170.9219 1.094988
171.4040 1.359304
171.8862 1.494053
172.3683 1.444677
172.8504 1.290613
173.3325 1.219854
173.8146 1.320642
174.2967 1.409365
174.7789 1.444210
175.2610 1.476072
175.7431 1.567421
176.2252 1.748138
176.7073 1.996822
177.1894 2.244619
177.6716 2.471344
178.1537 2.721731
178.6358 3.029455
179.1179 3.366573
179.6000 3.700272
180.0821 4.033697
180.5643 4.320539
181.0464 4.421190
181.5285 4.248356
182.0106 4.056156
182.4927 3.950743
182.9749 3.923298
183.4570 3.933420
183.9391 3.959517
184.4212 4.019815
184.9033 4.146782
185.3854 4.394436
185.8676 4.620720
186.3497 4.701534
186.8318 4.633944
187.3139 4.520674
187.7960 4.304569
188.2781 4.117210
188.7603 4.148073
189.2424 4.511660
189.7245 4.926744
190.2066 4.965828
190.6887 4.491259
191.1708 4.142853
191.6530 4.294550
192.1351 4.602043
192.6172 4.787394
193.0993 4.752184
193.5814 4.554426
194.0635 4.293713
194.5457 3.928486
195.0278 3.584581
195.5099 3.201012
195.9920 2.883350
196.4741 2.773373
196.9562 2.943850
197.4384 3.275751
197.9205 3.418484
198.4026 3.181467
198.8847 3.003052
199.3668 2.954769
199.8489 2.985838
200.3311 3.037476
200.8132 3.079901
201.2953 3.123487
201.7774 3.208927
202.2595 3.524927
202.7416 3.667763
203.2238 3.433105
203.7059 3.035048
204.1880 2.791708
204.6701 2.884014
205.1522 3.218597
205.6344 3.389914
206.1165 3.149206
206.5986 3.022055
207.0807 3.175146
207.5628 3.508257
208.0449 3.858601
208.5271 4.154213
209.0092 4.356836
209.4913 4.328264
209.9734 3.946527
210.4555 3.537327
210.9376 3.167681
211.4198 2.852243
211.9019 2.629440
212.3840 2.519903
212.8661 2.527861
213.3482 2.652008
213.8303 2.998072
214.3125 3.277187
214.7946 3.318707
215.2767 3.146769
215.7588 2.872534
216.2409 2.430689
216.7230 2.012585
217.2052 1.960594
217.6873 2.458967
218.1694 2.946726
218.6515 2.908228
219.1336 2.362522
219.6157 1.912996
220.0979 1.836649
220.5800 1.949703
221.0621 2.079924
221.5442 2.224766
222.0263 2.322542
222.5084 2.268721
222.9906 2.038094
223.4727 1.889977
223.9548 2.050493
224.4369 2.243055
224.9190 2.244659
225.4011 2.008350
225.8833 1.694525
226.3654 1.464125
226.8475 1.311934
227.3296 1.273296
227.8117 1.500620
228.2938 1.752848
228.7760 1.865170
229.2581 1.807764
229.7402 1.692268
230.2223 1.665380
230.7044 1.750328
231.1866 1.852678
231.6687 2.033159
232.1508 2.178354
232.6329 2.171722
233.1150 2.010532
233.5971 1.834162
234.0793 1.876015
234.5614 2.320997
235.0435 2.516884
235.5256 2.289888
236.0077 1.967466
236.4898 1.699047
236.9720 1.536116
237.4541 1.494293
237.9362 1.623194
238.4183 2.062326
238.9004 2.324013
239.3825 2.296488
239.8647 2.208788
240.3468 2.217096
240.8289 2.336105
241.3110 2.463585
241.7931 2.466621
242.2752 2.280516
242.7574 2.152029
243.2395 1.988602
243.7216 1.939194
244.2037 2.193094
244.6858 2.724104
245.1679 3.261808
245.6501 3.497934
246.1322 3.339508
246.6143 3.214476
247.0964 3.157248
247.5785 3.103403
248.0606 2.992701
248.5428 2.829294
249.0249 2.679502
249.5070 2.609564
249.9891 2.633602
250.4712 2.662968
250.9533 2.674593
251.4355 2.708620
251.9176 2.806671
252.3997 2.964262
252.8818 3.130398
253.3639 3.271873
253.8460 3.383095
254.3282 3.436174
254.8103 3.435574
255.2924 3.376221
255.7745 3.285755
256.2566 3.153376
256.7387 2.873413
257.2209 2.301817
257.7030 1.502819
258.1851 0.9157960
258.6672 0.6374590
259.1493 0.4938180
259.6314 0.3895840
260.1136 0.3224540
260.5957 0.2998600
261.0778 0.3806880
261.5599 0.4862920
262.0420 0.4018020
262.5241 1.3605000E-02
263.0063 0.4549670
263.4884 0.7344050
263.9705 0.8586060
264.4526 0.8877680
264.9347 0.8689740
265.4168 0.7403530
265.8990 0.3814120
266.3811 0.3730550
266.8632 1.009212
267.3453 1.061644
267.8275 0.6035190
268.3096 0.2041950
268.7917 6.1650999E-02
269.2738 8.9065999E-02
269.7559 0.1369880
270.2380 0.1942980
270.7202 0.3218750
271.2023 0.6420880
271.6844 1.111063
272.1665 1.418386
272.6486 1.406115
273.1307 1.280958
273.6129 1.274513
274.0950 1.385767
274.5771 1.465448
275.0592 1.375883
275.5413 1.152569
276.0234 1.004627
276.5056 0.9786000
276.9877 1.020412
277.4698 1.098022
277.9519 1.203445
278.4340 1.296692
278.9161 1.320141
279.3983 1.302084
279.8804 1.372943
280.3625 1.558097
280.8446 1.812449
281.3267 2.214535
281.8088 2.663544
282.2910 2.912543
282.7731 2.698896
283.2552 2.187636
283.7373 1.926862
284.2194 1.979700
284.7015 2.183293
285.1837 2.574884
285.6658 3.026210
286.1479 3.334641
286.6300 3.371902
287.1121 3.245474
287.5942 3.182455
288.0764 3.186997
288.5585 3.293571
289.0406 3.617170
289.5227 3.984788
290.0048 4.212830
290.4869 4.231806
290.9691 4.140955
291.4512 4.074079
291.9333 3.970754
292.4154 4.073475
292.8975 4.670275
293.3796 5.386557
293.8618 5.940990
294.3439 6.266319
294.8260 6.489742
295.3081 6.798881
295.7902 7.233574
296.2723 7.536539
296.7545 7.488714
297.2366 7.438602
297.7187 7.631809
298.2008 8.070363
298.6829 8.514728
299.1650 8.672070
299.6472 8.499939
300.1293 8.453138
300.6114 8.697351
301.0935 8.938764
301.5756 8.967595
302.0577 8.856111
302.5399 8.865568
303.0220 9.245606
303.5041 9.976213
303.9862 10.62753
304.4683 11.18216
304.9504 11.66686
305.4326 12.05567
305.9147 12.38947
306.3968 12.73528
306.8789 13.12707
307.3610 13.56645
307.8431 14.05159
308.3253 14.57513
308.8074 15.16554
309.2895 15.87560
309.7716 16.63217
310.2537 17.29576
310.7358 17.78347
311.2180 18.26915
311.7001 19.18946
312.1822 20.84127
312.6643 22.28607
313.1464 23.08671
313.6285 23.78779
314.1107 24.79084
314.5928 26.21138
315.0749 27.97930
315.5570 30.02783
316.0392 32.41327
316.5213 34.87228
317.0034 37.05677
317.4855 39.56860
317.9676 42.71475
318.4497 46.53429
318.9319 50.92048
319.4140 55.88797
319.8961 61.48775
320.3782 67.06493
320.8603 72.35902
321.3424 77.83212
321.8246 84.32320
322.3067 91.21352
322.7888 97.20782
323.2709 101.6204
323.7530 104.3481
324.2351 104.3266
324.7173 100.7577
325.1994 95.15047
325.6815 87.31971
326.1636 78.17484
326.6457 68.67905
327.1278 59.19500
327.6100 50.03712
328.0921 41.86992
328.5742 34.64487
329.0563 28.60869
329.5384 23.98714
330.0205 20.30139
330.5027 17.26237
330.9848 14.76880
331.4669 12.71229
331.9490 11.00904
332.4311 9.741136
332.9132 8.467228
333.3954 6.848284
333.8775 5.413937
334.3596 4.561872
334.8417 4.266161
335.3238 4.136988
335.8059 3.828849
336.2881 3.338234
336.7702 2.887424
337.2523 2.480838
337.7344 2.120325
338.2165 1.813134
338.6986 1.549067
339.1808 1.295481
339.6629 1.000357
340.1450 0.7091850
340.6271 0.6268240
341.1092 0.9143840
341.5913 1.097027
342.0735 0.8791800
342.5556 0.5058240
343.0377 0.2961790
343.5198 0.4032640
344.0019 0.6136200
344.4840 0.5464460
344.9662 0.1172040
345.4483 0.2193080
345.9304 0.2918240
346.4125 0.2348960
346.8946 7.3031999E-02
347.3767 0.1870000
347.8589 0.3829870
348.3410 0.2813560
348.8231 0.1067780
349.3052 0.2997020
349.7873 6.3943997E-02
350.2694 0.1946770
350.7516 0.1669050
351.2337 9.2483997E-02
351.7158 0.3337580
352.1979 0.4131500
352.6800 0.3605640
353.1621 0.2537430
353.6443 5.2299000E-02
354.1264 0.1073330
354.6085 0.1210290
355.0906 4.7479000E-02
355.5727 2.9899999E-02
356.0548 8.7908000E-02
356.5370 0.1330090
357.0191 0.1865240
357.5012 0.2535870
357.9833 0.2701680
358.4654 0.2073230
358.9475 7.5214997E-02
359.4297 0.1307540
359.9118 0.4315500
360.3939 0.7116560
360.8760 0.8862930
361.3581 0.9659730
361.8402 1.005905
362.3224 1.014798
362.8045 0.9902340
363.2866 0.8952730
363.7687 0.7414170
364.2508 0.6643030
364.7329 0.7398270
365.2151 0.9184670
365.6972 1.137210
366.1793 1.401625
366.6614 1.643864
367.1436 1.788754
367.6257 1.869448
368.1078 1.989644
368.5899 2.250455
369.0720 2.483065
369.5541 2.452234
370.0363 2.215462
370.5184 2.173185
371.0005 2.564895
371.4826 3.224491
371.9647 3.785362
372.4468 4.269901
372.9290 4.629189
373.4111 4.700867
373.8932 4.641340
374.3753 4.750536
374.8574 5.117263
375.3395 5.588291
375.8217 5.936035
376.3038 6.122931
376.7859 6.541761
377.2680 7.429321
377.7501 8.429063
378.2322 9.265224
378.7144 9.916930
379.1965 10.43432
379.6786 10.79234
380.1607 11.03759
380.6428 11.66453
381.1249 13.01463
381.6071 14.30396
382.0892 15.24839
382.5713 15.94193
383.0534 16.55046
383.5355 17.14199
384.0176 17.73537
384.4998 18.37739
384.9819 19.08930
385.4640 19.82372
385.9461 20.32170
386.4282 21.00079
386.9103 22.30026
387.3925 24.22979
387.8746 26.41027
388.3567 28.40054
388.8388 30.12598
389.3209 32.21669
389.8030 34.90324
390.2852 37.66943
390.7673 40.14066
391.2494 42.55534
391.7315 45.40756
392.2136 48.99044
392.6957 53.18927
393.1779 57.53468
393.6600 62.45754
394.1421 66.88745
394.6242 70.68018
395.1063 74.02920
395.5884 77.26646
396.0706 80.40932
396.5527 82.86105
397.0348 83.88103
397.5169 83.39981
397.9990 81.72803
398.4811 78.40067
398.9633 74.26749
399.4454 69.28484
399.9275 63.73010
400.4096 58.06338
400.8917 52.56616
401.3738 47.25248
401.8560 42.14725
402.3381 37.10501
402.8202 32.59891
403.3023 28.76887
403.7844 25.43791
404.2665 22.44562
404.7487 19.75290
405.2308 17.34673
405.7129 15.19291
406.1950 13.26846
406.6771 11.77231
407.1592 11.09591
407.6414 10.54118
408.1235 9.499146
408.6056 8.049934
409.0877 6.714241
409.5698 5.811335
410.0519 5.244889
410.5341 4.808034
411.0162 4.534329
411.4983 4.243322
411.9804 3.765539
412.4625 3.208333
412.9446 2.765483
413.4268 2.490683
413.9089 2.296668
414.3910 2.123644
414.8731 1.966231
415.3553 1.842188
415.8374 1.776238
416.3195 1.735783
416.8016 1.683588
417.2837 1.626429
417.7658 1.505308
418.2480 1.198545
418.7301 0.8765740
419.2122 0.7663480
419.6943 0.8833240
420.1764 1.032051
420.6585 1.064418
421.1407 0.9884540
421.6228 0.9277100
422.1049 0.8486440
422.5870 0.8070190
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