#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:37:42 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1194 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000608.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_1000608
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        R050065
_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            R050065.rod
_rod_data_source.block           3500000
_rod_database.code               1000608
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
114.9964 0.0000000E+00
115.4785 0.6362340
115.9606 0.8608670
116.4427 0.5501330
116.9248 0.4827270
117.4069 0.9986150
117.8891 1.829338
118.3712 2.448570
118.8533 2.709145
119.3354 2.757137
119.8175 2.709885
120.2996 2.576077
120.7818 2.487743
121.2639 2.475731
121.7460 2.530811
122.2281 2.869774
122.7102 4.192917
123.1923 5.362247
123.6745 5.662083
124.1566 5.008968
124.6387 3.932796
125.1208 3.175423
125.6029 2.841713
126.0850 2.643806
126.5672 2.583832
127.0493 2.601704
127.5314 2.658581
128.0135 2.737213
128.4956 2.835903
128.9777 2.949738
129.4599 3.264442
129.9420 3.376812
130.4241 3.083065
130.9062 2.594810
131.3883 2.206673
131.8705 2.091221
132.3526 2.194572
132.8347 2.586292
133.3168 3.417610
133.7989 3.926270
134.2810 4.051846
134.7632 3.859161
135.2453 3.637520
135.7274 3.495869
136.2095 3.500088
136.6916 3.775185
137.1737 4.725525
137.6559 5.716450
138.1380 6.006416
138.6201 5.465649
139.1022 4.834530
139.5843 4.615841
140.0664 4.617954
140.5486 4.584869
141.0307 4.371620
141.5128 4.053997
141.9949 3.875370
142.4770 3.944473
142.9591 3.993172
143.4413 3.924202
143.9234 3.756756
144.4055 3.524059
144.8876 3.241444
145.3697 2.909679
145.8518 2.571743
146.3340 2.312237
146.8161 1.971752
147.2982 1.365353
147.7803 0.5959320
148.2624 5.2910000E-02
148.7445 0.2589800
149.2267 0.1574940
149.7088 0.2360840
150.1909 0.3821330
150.6730 0.9740980
151.1551 1.113277
151.6372 0.7475510
152.1194 0.1391680
152.6015 0.4126590
153.0836 0.9500430
153.5657 1.300724
154.0478 1.368736
154.5299 1.262192
155.0121 1.067894
155.4942 0.7997320
155.9763 0.5350570
156.4584 0.4139330
156.9405 0.4450190
157.4227 0.4626620
157.9048 0.3629570
158.3869 0.2295040
158.8690 0.2921410
159.3511 0.6561780
159.8332 1.083160
160.3154 1.281906
160.7975 1.219193
161.2796 1.193153
161.7617 1.376141
162.2438 1.637611
162.7259 1.883572
163.2081 2.112461
163.6902 2.315025
164.1723 2.502460
164.6544 2.539230
165.1365 2.438175
165.6186 2.231617
166.1008 1.892071
166.5829 1.701855
167.0650 1.798069
167.5471 2.005054
168.0292 2.289486
168.5113 2.635597
168.9935 2.907089
169.4756 2.811371
169.9577 1.947762
170.4398 1.498291
170.9219 1.864578
171.4040 2.452408
171.8862 2.750248
172.3683 2.576855
172.8504 2.131516
173.3325 1.824142
173.8146 1.717804
174.2967 1.696465
174.7789 1.827957
175.2610 2.020939
175.7431 2.184849
176.2252 2.281372
176.7073 2.305115
177.1894 2.229774
177.6716 1.871979
178.1537 1.646202
178.6358 1.712719
179.1179 1.961124
179.6000 2.191959
180.0821 2.321514
180.5643 2.347385
181.0464 2.263180
181.5285 1.971035
182.0106 1.726383
182.4927 1.678158
182.9749 1.791935
183.4570 1.916466
183.9391 1.993553
184.4212 2.024372
184.9033 2.020906
185.3854 1.953955
185.8676 1.900970
186.3497 1.977474
186.8318 2.190342
187.3139 2.286081
187.7960 2.002481
188.2781 1.604868
188.7603 1.413385
189.2424 1.554916
189.7245 1.766838
190.2066 1.671337
190.6887 1.168375
191.1708 0.7156300
191.6530 0.4531670
192.1351 0.3218400
192.6172 0.2996810
193.0993 0.3886850
193.5814 0.5483550
194.0635 0.7003750
194.5457 0.8370950
195.0278 0.9817470
195.5099 1.194485
195.9920 1.393547
196.4741 1.488014
196.9562 1.434212
197.4384 1.280409
197.9205 1.163954
198.4026 1.118887
198.8847 1.069096
199.3668 1.018167
199.8489 0.9537450
200.3311 0.8653410
200.8132 0.7474350
201.2953 0.5982250
201.7774 0.4128780
202.2595 9.4681002E-02
202.7416 0.1554570
203.2238 0.3195020
203.7059 0.4022540
204.1880 0.4126890
204.6701 0.3541790
205.1522 0.2328410
205.6344 7.1409002E-02
206.1165 0.2989250
206.5986 0.5055920
207.0807 0.3326450
207.5628 4.3900002E-02
208.0449 0.2798330
208.5271 0.1870400
209.0092 0.1422790
209.4913 0.2885320
209.9734 0.1619820
210.4555 3.6450000E-03
210.9376 9.0204000E-02
211.4198 0.1479150
211.9019 0.2679650
212.3840 0.5442430
212.8661 0.8668880
213.3482 0.9414880
213.8303 0.6695650
214.3125 0.3303990
214.7946 5.7045002E-02
215.2767 0.1582110
215.7588 0.3534810
216.2409 0.5487370
216.7230 0.7254120
217.2052 0.8688490
217.6873 0.9883770
218.1694 1.059029
218.6515 1.003109
219.1336 0.8256820
219.6157 0.7575510
220.0979 0.9876610
220.5800 1.310835
221.0621 1.489105
221.5442 1.471336
222.0263 1.415695
222.5084 1.458559
222.9906 1.601051
223.4727 1.817682
223.9548 2.193209
224.4369 2.586658
224.9190 2.933886
225.4011 3.229780
225.8833 3.382292
226.3654 3.182074
226.8475 2.504824
227.3296 2.083187
227.8117 2.236603
228.2938 2.590651
228.7760 3.024153
229.2581 3.491671
229.7402 3.841215
230.2223 3.757114
230.7044 2.959967
231.1866 2.636721
231.6687 3.368261
232.1508 4.252951
232.6329 4.749552
233.1150 4.756821
233.5971 4.520828
234.0793 4.375330
234.5614 4.366535
235.0435 4.336790
235.5256 4.291729
236.0077 4.220856
236.4898 4.047226
236.9720 3.794979
237.4541 3.628138
237.9362 3.812908
238.4183 4.611794
238.9004 5.114590
239.3825 5.139441
239.8647 5.059046
240.3468 5.105347
240.8289 5.312086
241.3110 5.571096
241.7931 5.760088
242.2752 5.892836
242.7574 5.880386
243.2395 5.604465
243.7216 5.294453
244.2037 5.056740
244.6858 4.923931
245.1679 4.920961
245.6501 5.099373
246.1322 5.543171
246.6143 5.811253
247.0964 5.821281
247.5785 5.742115
248.0606 5.646193
248.5428 5.554941
249.0249 5.500668
249.5070 5.517338
249.9891 5.617325
250.4712 5.748465
250.9533 6.046816
251.4355 6.276432
251.9176 6.243187
252.3997 5.954870
252.8818 5.592663
253.3639 5.299570
253.8460 5.077616
254.3282 4.845486
254.8103 4.635378
255.2924 4.389269
255.7745 4.040022
256.2566 3.598433
256.7387 3.170273
257.2209 2.822002
257.7030 2.559612
258.1851 2.342373
258.6672 2.124702
259.1493 1.987749
259.6314 2.075394
260.1136 2.345253
260.5957 2.480391
261.0778 2.255953
261.5599 1.771923
262.0420 1.371149
262.5241 0.9936310
263.0063 0.7865730
263.4884 0.9840770
263.9705 1.538990
264.4526 1.929203
264.9347 1.790197
265.4168 1.388023
265.8990 1.310226
266.3811 1.764992
266.8632 2.189735
267.3453 2.038666
267.8275 1.386837
268.3096 0.9000550
268.7917 0.8485240
269.2738 1.076515
269.7559 1.361288
270.2380 1.710770
270.7202 1.991758
271.2023 2.153938
271.6844 2.217014
272.1665 2.150009
272.6486 1.834719
273.1307 1.486328
273.6129 1.363073
274.0950 1.459194
274.5771 1.487581
275.0592 1.119707
275.5413 0.4598200
276.0234 0.1463640
276.5056 0.4272420
276.9877 0.8869190
277.4698 1.258341
277.9519 1.535702
278.4340 1.679262
278.9161 1.545961
279.3983 1.224333
279.8804 1.136658
280.3625 1.428200
280.8446 1.779543
281.3267 1.981716
281.8088 2.085915
282.2910 2.213715
282.7731 2.466938
283.2552 2.790985
283.7373 2.992506
284.2194 3.006704
284.7015 3.016380
285.1837 3.123596
285.6658 3.287037
286.1479 3.434620
286.6300 3.538990
287.1121 3.644165
287.5942 3.889059
288.0764 4.310850
288.5585 4.718565
289.0406 5.077185
289.5227 5.400803
290.0048 5.666508
290.4869 5.860519
290.9691 6.043802
291.4512 6.345470
291.9333 6.818398
292.4154 7.196375
292.8975 7.304058
293.3796 7.379229
293.8618 7.657579
294.3439 8.198185
294.8260 8.742525
295.3081 8.949739
295.7902 8.766590
296.2723 8.467863
296.7545 7.890663
297.2366 7.365971
297.7187 7.177614
298.2008 7.302954
298.6829 7.409739
299.1650 7.094048
299.6472 6.283920
300.1293 5.729761
300.6114 5.762966
301.0935 5.815163
301.5756 5.589127
302.0577 5.146544
302.5399 4.746544
303.0220 4.627800
303.5041 4.769514
303.9862 4.826359
304.4683 4.649042
304.9504 4.566296
305.4326 4.763805
305.9147 5.130438
306.3968 5.464384
306.8789 5.650801
307.3610 5.706850
307.8431 5.676146
308.3253 5.393993
308.8074 5.299149
309.2895 5.656923
309.7716 6.191332
310.2537 6.539871
310.7358 6.524498
311.2180 6.344822
311.7001 6.479321
312.1822 7.146912
312.6643 7.643400
313.1464 7.676720
313.6285 7.599751
314.1107 7.709438
314.5928 8.083469
315.0749 8.559439
315.5570 8.868610
316.0392 8.911789
316.5213 9.154350
317.0034 9.770399
317.4855 10.50370
317.9676 11.21311
318.4497 11.89264
318.9319 12.63300
319.4140 13.58415
319.8961 14.78551
320.3782 15.79467
320.8603 16.39067
321.3424 16.99032
321.8246 17.74377
322.3067 18.63075
322.7888 19.59054
323.2709 20.61416
323.7530 21.67631
324.2351 22.57301
324.7173 23.48610
325.1994 23.92427
325.6815 23.73729
326.1636 23.04817
326.6457 21.99842
327.1278 20.63135
327.6100 19.02126
328.0921 17.30490
328.5742 15.38495
329.0563 13.56416
329.5384 11.78430
330.0205 10.18540
330.5027 8.960096
330.9848 8.154331
331.4669 7.519363
331.9490 6.703068
332.4311 5.656513
332.9132 4.641306
333.3954 3.587366
333.8775 2.655415
334.3596 1.952898
334.8417 1.483187
335.3238 1.188917
335.8059 1.110281
336.2881 1.252054
336.7702 1.174038
337.2523 0.5984750
337.7344 0.1009810
338.2165 7.6850001E-03
338.6986 0.1620660
339.1808 0.3371140
339.6629 0.3477780
340.1450 0.2372170
340.6271 0.1770170
341.1092 0.2202780
341.5913 0.2087750
342.0735 2.4692999E-02
342.5556 0.3046040
343.0377 0.3676850
343.5198 5.6423001E-02
344.0019 0.3268240
344.4840 0.1886290
344.9662 0.6563630
345.4483 1.211742
345.9304 0.8311230
346.4125 0.2418630
346.8946 5.6793001E-02
347.3767 1.2962000E-02
347.8589 0.2055070
348.3410 0.3342700
348.8231 0.3988170
349.3052 0.3409770
349.7873 2.5087001E-02
350.2694 0.2706910
350.7516 0.3466210
351.2337 0.2356530
351.7158 8.8281997E-02
352.1979 4.2431001E-02
352.6800 0.1433600
353.1621 0.1499630
353.6443 8.9990003E-03
354.1264 0.1062200
354.6085 6.6220001E-03
355.0906 0.1945100
355.5727 0.1828940
356.0548 0.2489220
356.5370 0.7615850
357.0191 0.8376810
357.5012 0.4323270
357.9833 9.2550002E-02
358.4654 0.1156690
358.9475 0.2803250
359.4297 0.2935660
359.9118 8.7954998E-02
360.3939 6.6712998E-02
360.8760 8.0182999E-02
361.3581 0.4695450
361.8402 0.8155400
362.3224 1.080610
362.8045 1.232880
363.2866 1.211380
363.7687 1.034142
364.2508 0.8515150
364.7329 0.7049980
365.2151 0.5949730
365.6972 0.5272480
366.1793 0.5056650
366.6614 0.5017720
367.1436 0.4612500
367.6257 0.4225620
368.1078 0.5057160
368.5899 0.8465330
369.0720 1.215771
369.5541 1.392262
370.0363 1.407969
370.5184 1.486071
371.0005 1.770720
371.4826 2.144325
371.9647 2.344473
372.4468 2.340786
372.9290 2.268417
373.4111 2.081390
373.8932 1.877935
374.3753 1.847200
374.8574 2.043390
375.3395 2.384703
375.8217 2.785730
376.3038 3.249416
376.7859 3.746092
377.2680 4.293295
377.7501 4.859465
378.2322 5.441977
378.7144 6.030382
379.1965 6.563160
379.6786 6.981846
380.1607 7.299553
380.6428 7.686892
381.1249 8.168962
381.6071 8.677681
382.0892 9.182550
382.5713 9.700159
383.0534 10.24242
383.5355 10.81164
384.0176 11.45097
384.4998 12.26630
384.9819 13.41394
385.4640 14.49450
385.9461 15.35939
386.4282 16.23897
386.9103 17.40291
387.3925 18.84394
387.8746 20.26896
388.3567 21.31925
388.8388 21.90508
389.3209 22.77112
389.8030 23.87427
390.2852 25.25355
390.7673 26.97586
391.2494 28.98449
391.7315 31.18606
392.2136 33.52670
392.6957 36.00197
393.1779 38.55890
393.6600 41.24483
394.1421 43.95553
394.6242 46.33987
395.1063 48.94680
395.5884 52.33310
396.0706 56.61223
396.5527 61.30389
397.0348 65.88699
397.5169 70.38905
397.9990 74.56673
398.4811 78.78988
398.9633 82.28956
399.4454 84.81815
399.9275 86.34892
400.4096 86.92249
400.8917 86.54167
401.3738 85.27335
401.8560 83.34097
402.3381 80.92965
402.8202 77.37122
403.3023 71.86485
403.7844 65.60518
404.2665 59.62870
404.7487 54.19281
405.2308 49.25698
405.7129 44.90652
406.1950 41.14047
406.6771 37.50822
407.1592 33.88562
407.6414 30.49764
408.1235 27.39682
408.6056 24.60734
409.0877 22.22020
409.5698 20.37651
410.0519 18.97060
410.5341 17.79540
411.0162 16.90698
411.4983 16.05624
411.9804 14.98627
412.4625 13.87491
412.9446 13.06152
413.4268 12.72569
413.9089 12.49956
414.3910 12.06202
414.8731 11.47974
415.3553 11.06655
415.8374 10.92869
416.3195 10.95522
416.8016 11.04366
417.2837 11.20989
417.7658 11.32946
418.2480 11.30866
418.7301 11.25150
419.2122 11.30501
419.6943 11.47610
420.1764 11.58668
420.6585 11.46923
421.1407 11.15298
421.6228 10.96140
422.1049 11.02489
422.5870 11.05510
423.0691 10.95017
423.5512 10.74279
424.0334 10.47490
424.5155 10.15990
424.9976 9.784189
425.4797 9.327129
425.9618 8.692215
426.4439 8.217592
426.9261 8.043674
427.4082 7.878992
427.8903 7.514866
428.3724 6.972174
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