#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:38:24 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1205 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000619.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_1000619
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        R110100
_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            R110100.rod
_rod_data_source.block           3500000
_rod_database.code               1000619
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
98.35315 0.0000000E+00
98.83527 1.591309
99.31738 2.376221
99.79950 1.777710
100.2816 1.452515
100.7637 0.7955320
101.2458 0.2235720
101.7280 9.5642000E-02
102.2101 0.3078610
102.6922 0.6007080
103.1743 0.9828490
103.6564 1.862610
104.1385 3.572693
104.6207 3.413269
105.1028 2.929749
105.5849 2.850891
106.0670 3.424561
106.5491 4.076904
107.0313 4.280884
107.5134 3.978027
107.9955 3.304443
108.4776 2.104065
108.9597 7.0251003E-02
109.4418 1.042542
109.9240 0.1148680
110.4061 1.383728
110.8882 2.405029
111.3703 2.519165
111.8524 2.108154
112.3345 2.009705
112.8167 2.250671
113.2988 2.925293
113.7809 4.565918
114.2630 6.511047
114.7451 7.878357
115.2272 8.065308
115.7094 7.140320
116.1915 6.445801
116.6736 5.987305
117.1557 5.688904
117.6378 5.708984
118.1199 5.921021
118.6021 5.908936
119.0842 5.220093
119.5663 3.799316
120.0484 3.002808
120.5305 3.147583
121.0126 3.688110
121.4948 4.231689
121.9769 4.741394
122.4590 5.151489
122.9411 5.407715
123.4232 5.521729
123.9053 5.421692
124.3875 4.790894
124.8696 3.906433
125.3517 3.667419
125.8338 4.516357
126.3159 5.678955
126.7980 6.511475
127.2802 7.071777
127.7623 7.529144
128.2444 7.865234
128.7265 8.028381
129.2086 8.566193
129.6907 10.33813
130.1729 12.36017
130.6550 13.51062
131.1371 14.00357
131.6192 13.95114
132.1013 13.20667
132.5834 10.86557
133.0656 9.607788
133.5477 10.06100
134.0298 11.07428
134.5119 11.79245
134.9940 11.91821
135.4761 11.70538
135.9583 11.77011
136.4404 11.81491
136.9225 12.59622
137.4046 14.83145
137.8867 17.67288
138.3688 19.92047
138.8510 21.01096
139.3331 21.18137
139.8152 21.15619
140.2973 20.69943
140.7794 20.41196
141.2615 20.84906
141.7437 21.79581
142.2258 22.23886
142.7079 21.40561
143.1900 19.81174
143.6721 18.70328
144.1542 18.55490
144.6364 18.37955
145.1185 16.97333
145.6006 14.09753
146.0827 11.44952
146.5648 10.05707
147.0469 9.305878
147.5291 8.684784
148.0112 8.107300
148.4933 7.463013
148.9754 6.417694
149.4575 4.526123
149.9396 3.017395
150.4218 2.318848
150.9039 2.149170
151.3860 2.197632
151.8681 2.340851
152.3502 2.528839
152.8323 2.346802
153.3145 1.056274
153.7966 0.1006770
154.2787 3.1403001E-02
154.7608 0.3979190
155.2429 0.8339840
155.7250 0.8292540
156.2072 0.4581600
156.6893 0.2273860
157.1714 0.1705020
157.6535 0.1773680
158.1356 0.2674260
158.6177 0.4032590
159.0999 0.4674990
159.5820 0.3643800
160.0641 7.6629996E-02
160.5462 0.3609010
161.0283 1.497009
161.5104 2.408478
161.9926 2.225983
162.4747 0.8447570
162.9568 0.8849790
163.4389 2.209778
163.9210 3.140686
164.4031 3.598419
164.8853 3.206757
165.3674 2.431030
165.8495 1.928833
166.3316 1.782440
166.8137 1.912445
167.2958 2.401947
167.7780 3.262482
168.2601 4.011200
168.7422 4.419495
169.2243 4.509308
169.7064 4.344208
170.1885 3.687164
170.6707 3.095581
171.1528 2.820435
171.6349 2.878693
172.1170 3.275574
172.5991 4.400055
173.0812 6.336823
173.5634 7.175842
174.0455 5.457031
174.5276 3.638428
175.0097 2.626587
175.4918 2.481506
175.9739 2.875488
176.4561 3.604340
176.9382 4.936157
177.4203 5.659973
177.9024 5.221741
178.3845 4.682526
178.8666 4.559875
179.3488 4.936920
179.8309 5.613953
180.3130 6.339478
180.7951 7.157257
181.2772 7.917206
181.7593 8.558472
182.2415 9.188568
182.7236 10.04727
183.2057 11.14291
183.6878 12.05768
184.1699 12.11234
184.6520 10.71298
185.1342 9.556915
185.6163 8.654266
186.0984 8.020447
186.5805 7.722717
187.0626 7.792450
187.5447 8.080536
188.0269 8.402039
188.5090 8.829559
188.9911 9.038940
189.4732 8.729462
189.9553 8.186462
190.4374 7.958984
190.9196 8.279419
191.4017 8.777802
191.8838 8.798218
192.3659 8.277130
192.8480 8.043945
193.3301 8.776764
193.8123 10.17603
194.2944 11.15231
194.7765 11.40128
195.2586 11.11276
195.7407 10.49344
196.2228 9.539642
196.7050 8.590881
197.1871 7.931641
197.6692 7.547607
198.1513 7.075317
198.6334 6.164825
199.1155 5.415436
199.5977 5.328888
200.0798 5.905762
200.5619 6.617218
201.0440 6.847137
201.5261 6.464813
202.0082 6.485352
202.4904 7.552979
202.9725 8.692932
203.4546 9.384003
203.9367 9.585815
204.4188 9.643555
204.9009 10.02325
205.3831 10.88351
205.8652 11.50583
206.3473 11.82932
206.8294 11.99814
207.3115 12.17514
207.7936 12.30014
208.2758 12.10464
208.7579 11.17795
209.2400 8.838043
209.7221 7.298492
210.2042 6.897644
210.6863 6.930481
211.1685 7.026459
211.6506 7.011963
212.1327 6.864716
212.6148 6.671082
213.0969 6.406860
213.5790 6.141937
214.0612 5.756653
214.5433 5.442535
215.0254 5.426727
215.5075 5.739105
215.9896 6.091827
216.4717 6.038208
216.9539 5.191284
217.4360 4.922913
217.9181 5.835480
218.4002 7.025757
218.8823 7.502716
219.3644 7.045654
219.8466 6.306183
220.3287 6.187225
220.8108 6.788849
221.2929 7.171326
221.7750 7.109772
222.2571 6.804657
222.7393 6.427307
223.2214 5.982117
223.7035 5.654999
224.1856 5.794556
224.6677 6.361938
225.1498 6.862488
225.6320 7.251740
226.1141 7.478241
226.5962 7.404297
227.0783 6.939484
227.5604 6.367523
228.0425 5.754669
228.5247 5.171814
229.0068 5.105133
229.4889 6.165924
229.9710 7.844299
230.4531 9.058014
230.9352 9.737183
231.4174 9.814270
231.8995 8.793365
232.3816 7.096313
232.8637 5.918793
233.3458 6.233521
233.8279 7.556824
234.3101 8.172119
234.7922 7.397369
235.2743 7.026367
235.7564 8.406738
236.2385 10.87039
236.7206 13.09882
237.2028 14.40707
237.6849 14.88416
238.1670 14.89859
238.6491 14.31204
239.1312 13.41180
239.6133 12.06067
240.0955 10.55496
240.5776 9.364899
241.0597 8.801880
241.5418 8.771667
242.0239 8.873932
242.5060 9.351593
242.9882 9.611145
243.4703 9.286377
243.9524 8.694122
244.4345 8.277588
244.9166 8.287720
245.3987 8.670685
245.8809 9.201019
246.3630 10.10953
246.8451 10.86105
247.3272 11.26321
247.8093 11.47800
248.2914 11.66882
248.7736 11.90771
249.2557 12.25174
249.7378 12.96576
250.2199 14.90698
250.7020 16.11975
251.1841 16.02533
251.6663 15.19498
252.1484 14.34277
252.6305 13.81323
253.1126 13.39145
253.5947 12.35947
254.0768 10.08353
254.5590 7.924408
255.0411 5.723297
255.5232 3.769623
256.0053 2.434631
256.4874 1.879059
256.9695 1.824615
257.4517 1.599609
257.9338 0.8992000
258.4159 0.3873290
258.8980 8.9233004E-02
259.3801 3.1493999E-02
259.8622 5.2643001E-02
260.3444 0.3427730
260.8265 0.6718750
261.3086 0.7169800
261.7907 0.1379090
262.2728 0.2006840
262.7549 1.0956000E-02
263.2371 0.3171390
263.7192 0.1646120
264.2013 0.5797120
264.6834 1.457611
265.1655 1.782227
265.6476 1.294495
266.1298 0.8010560
266.6119 8.6304002E-02
267.0940 0.5046080
267.5761 0.4696660
268.0582 0.2561650
268.5403 0.9973750
269.0225 0.9121700
269.5046 0.2631840
269.9867 1.151337
270.4688 1.724030
270.9509 1.999603
271.4330 1.800110
271.9152 1.150665
272.3973 0.6276250
272.8794 0.8763120
273.3615 1.966431
273.8436 2.651062
274.3257 2.678619
274.8079 2.457550
275.2900 2.137512
275.7721 1.770477
276.2542 1.745422
276.7363 2.527008
277.2184 3.979309
277.7006 4.855835
278.1827 4.551697
278.6648 4.139984
279.1469 4.585632
279.6290 5.761688
280.1111 6.549255
280.5933 6.098297
281.0754 4.785950
281.5575 4.052216
282.0396 4.279907
282.5217 4.622772
283.0038 4.421509
283.4860 3.823822
283.9681 3.651947
284.4502 4.466949
284.9323 5.809387
285.4144 6.670380
285.8965 6.988647
286.3787 7.057251
286.8608 6.832336
287.3429 6.428467
287.8250 6.351349
288.3071 6.923706
288.7892 7.648346
289.2714 7.766388
289.7535 7.227600
290.2356 6.680206
290.7177 6.377899
291.1998 6.292511
291.6819 6.386200
292.1641 6.728027
292.6462 7.097443
293.1283 7.201691
293.6104 7.079773
294.0925 7.024841
294.5746 7.343658
295.0568 7.787140
295.5389 7.746979
296.0210 6.945679
296.5031 6.200562
296.9852 6.433899
297.4673 7.347778
297.9495 8.191406
298.4316 8.751526
298.9137 9.084442
299.3958 9.227570
299.8779 9.148468
300.3600 9.051544
300.8422 9.031799
301.3243 9.092072
301.8064 9.254852
302.2885 9.502289
302.7706 9.874573
303.2527 10.49731
303.7349 11.39481
304.2170 12.17093
304.6991 12.43558
305.1812 12.57980
305.6633 13.11755
306.1454 14.14719
306.6276 15.53497
307.1097 17.63721
307.5918 20.35284
308.0739 21.92734
308.5560 20.88455
309.0381 19.20956
309.5203 19.15503
310.0024 20.87640
310.4845 23.15848
310.9666 25.19186
311.4487 27.08008
311.9308 29.40048
312.4130 32.50308
312.8951 35.70181
313.3772 38.01694
313.8593 39.64645
314.3414 41.95663
314.8235 46.12280
315.3057 51.45386
315.7878 56.12488
316.2699 59.68744
316.7520 63.27698
317.2341 67.67487
317.7162 72.69357
318.1984 78.06247
318.6805 83.80490
319.1626 89.76965
319.6447 96.11624
320.1268 103.1672
320.6089 108.9820
321.0911 112.9052
321.5732 114.6816
322.0553 113.5922
322.5374 109.2637
323.0195 102.3916
323.5016 92.97107
323.9838 80.92566
324.4659 69.09390
324.9480 58.11813
325.4301 48.25162
325.9122 39.72186
326.3943 32.46451
326.8765 26.40903
327.3586 21.68045
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328.3228 15.26065
328.8049 13.20038
329.2870 11.61316
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330.2513 8.881561
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331.2155 6.795654
331.6976 5.996704
332.1797 5.039276
332.6619 3.793610
333.1440 2.669250
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334.1082 1.885162
334.5903 1.744293
335.0724 1.401123
335.5546 1.148132
336.0367 1.504028
336.5188 2.534698
337.0009 3.498810
337.4830 4.103882
337.9651 4.296112
338.4473 3.961395
338.9294 2.841431
339.4115 1.581573
339.8936 0.5835270
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344.7148 1.367218
345.1969 1.378387
345.6790 1.147308
346.1611 0.7887880
346.6432 0.3276370
347.1254 4.0833000E-02
347.6075 0.2131040
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352.9108 1.8097000E-02
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363.0352 5.5266999E-02
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363.9995 0.6055600
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365.4458 1.407013
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368.8206 2.441284
369.3027 2.812683
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379.9093 9.482635
380.3914 10.67920
380.8735 11.63956
381.3557 12.44189
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382.3199 13.04642
382.8020 12.71201
383.2841 12.13849
383.7662 11.43967
384.2484 10.51996
384.7305 10.11902
385.2126 10.79114
385.6947 11.46384
386.1768 11.75146
386.6589 11.78333
387.1411 11.83243
387.6232 12.02176
388.1053 12.40891
388.5874 13.24997
389.0695 14.84149
389.5516 16.33264
390.0338 17.54074
390.5159 18.57669
390.9980 19.46036
391.4801 20.20746
391.9622 21.01678
392.4443 22.24036
392.9265 23.95020
393.4086 25.37137
393.8907 26.42972
394.3728 27.12576
394.8549 27.52917
395.3370 27.59793
395.8192 27.18408
396.3013 26.06024
396.7834 24.38013
397.2655 22.62402
397.7476 20.74841
398.2297 18.89920
398.7119 17.16724
399.1940 15.55676
399.6761 14.06146
400.1582 12.65570
400.6403 11.32892
401.1224 10.12021
401.6046 8.983215
402.0867 7.713287
402.5688 6.106873
403.0509 4.587891
403.5330 3.600952
404.0151 3.149323
404.4973 3.007202
404.9794 3.279724
405.4615 3.715942
405.9436 3.915466
406.4257 3.832214
406.9078 3.525238
407.3900 2.945160
407.8721 2.156830
408.3542 1.498352
408.8363 1.120178
409.3184 0.7811890
409.8005 0.2205510
410.2827 0.4591670
410.7648 0.9143980
411.2469 0.9795840
411.7290 0.7088320
412.2111 0.2290650
412.6932 0.5735470
413.1754 1.252502
413.6575 1.713867
414.1396 2.025665
414.6217 2.296936
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