#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:00:41 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1025 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000480.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_1000480
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        R050368
_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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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            R050368.rod
_rod_data_source.block           3500000
_rod_database.code               1000480
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
118.8699 0.0000000E+00
119.3521 0.2064670
119.8342 0.3155980
120.3163 4.069214
120.7984 8.647430
121.2805 12.76019
121.7626 16.55328
122.2448 20.38725
122.7269 25.31705
123.2090 29.84686
123.6911 32.25377
124.1732 32.05469
124.6553 31.07690
125.1375 30.58194
125.6196 30.54440
126.1017 30.94641
126.5838 31.65941
127.0659 32.81453
127.5480 34.75418
128.0302 37.71571
128.5123 41.10661
128.9944 44.34935
129.4765 47.45210
129.9586 50.29439
130.4407 52.64528
130.9229 54.68651
131.4050 57.04880
131.8871 59.75711
132.3692 62.90402
132.8513 66.82874
133.3334 71.14328
133.8156 74.33878
134.2977 76.05693
134.7798 77.32401
135.2619 78.82336
135.7440 80.69899
136.2261 82.93875
136.7083 85.72633
137.1904 89.39334
137.6725 92.79367
138.1546 95.68243
138.6367 98.59140
139.1188 100.5490
139.6010 100.6397
140.0831 98.38339
140.5652 93.07739
141.0473 85.38446
141.5294 76.66711
142.0115 68.92499
142.4937 60.46779
142.9758 53.01668
143.4579 47.46121
143.9400 44.14320
144.4221 40.99493
144.9042 38.12288
145.3864 35.33620
145.8685 32.37157
146.3506 29.08727
146.8327 25.77504
147.3148 22.46548
147.7969 19.06982
148.2791 15.89804
148.7612 12.64177
149.2433 9.637222
149.7254 7.636337
150.2075 7.129791
150.6896 7.202805
151.1718 7.608994
151.6539 9.564621
152.1360 10.10744
152.6181 7.911560
153.1002 4.075729
153.5823 1.892700
154.0645 3.356293
154.5466 5.203217
155.0287 5.918167
155.5108 4.598984
155.9929 3.050049
156.4750 1.430557
156.9572 0.2409210
157.4393 1.848572
157.9214 3.727600
158.4035 5.341599
158.8856 6.363663
159.3677 6.591537
159.8499 6.359161
160.3320 5.735382
160.8141 4.728973
161.2962 3.347260
161.7783 0.8216710
162.2604 1.711517
162.7426 3.315811
163.2247 3.414948
163.7068 2.802155
164.1889 1.253708
164.6710 1.093445
165.1531 2.574112
165.6353 1.526382
166.1174 0.5290990
166.5995 1.955276
167.0816 1.703522
167.5637 1.110901
168.0458 0.8389740
168.5280 1.085815
169.0101 1.537415
169.4922 2.012772
169.9743 2.565552
170.4564 3.265747
170.9385 4.470047
171.4207 5.635315
171.9028 6.100967
172.3849 5.803085
172.8670 5.647415
173.3491 6.791428
173.8312 8.567200
174.3134 9.698944
174.7955 9.057953
175.2776 7.696289
175.7597 6.770630
176.2418 6.335098
176.7239 6.329636
177.2061 6.811432
177.6882 7.687180
178.1703 8.592361
178.6524 9.486115
179.1345 10.27666
179.6166 10.71919
180.0988 10.74765
180.5809 10.72760
181.0630 10.99895
181.5451 11.55464
182.0272 12.35825
182.5093 13.66724
182.9915 15.20708
183.4736 16.17094
183.9557 16.38507
184.4378 16.48688
184.9199 17.72769
185.4020 19.86870
185.8842 21.37616
186.3663 20.96379
186.8484 19.13744
187.3305 17.71690
187.8126 16.83604
188.2947 16.35896
188.7769 16.10596
189.2590 16.07539
189.7411 16.22414
190.2232 16.54094
190.7053 17.02255
191.1874 17.72096
191.6696 18.75531
192.1517 19.80745
192.6338 20.26122
193.1159 20.10388
193.5980 19.72687
194.0801 19.21460
194.5623 18.59700
195.0444 18.32133
195.5265 18.47931
196.0086 18.91975
196.4907 19.58211
196.9728 20.56645
197.4550 20.91217
197.9371 19.65247
198.4192 16.75769
198.9013 14.55966
199.3834 13.34734
199.8655 12.84737
200.3477 12.49532
200.8298 12.33986
201.3119 12.12161
201.7940 11.55690
202.2761 10.57881
202.7582 10.06647
203.2404 10.23734
203.7225 10.81912
204.2046 11.07877
204.6867 10.99591
205.1688 10.68188
205.6509 10.15891
206.1331 9.378403
206.6152 8.751907
207.0973 8.438751
207.5794 8.230560
208.0615 7.326065
208.5436 5.366730
209.0258 3.653473
209.5079 3.242630
209.9900 4.563538
210.4721 5.109421
210.9542 4.439865
211.4363 2.932098
211.9185 1.907104
212.4006 1.474335
212.8827 1.253860
213.3648 1.109924
213.8469 1.172470
214.3290 0.7111510
214.8112 0.8559270
215.2933 2.973770
215.7754 3.432419
216.2575 1.471405
216.7396 0.8011630
217.2217 2.185013
217.7038 2.523148
218.1860 2.525681
218.6681 1.994186
219.1502 1.243378
219.6323 1.569778
220.1144 3.531723
220.5965 5.342987
221.0787 5.854324
221.5608 4.304291
222.0429 3.554703
222.5250 3.862183
223.0071 4.985443
223.4892 6.200989
223.9714 7.767838
224.4535 9.059982
224.9356 9.679718
225.4177 9.090485
225.8998 9.188629
226.3819 10.49663
226.8641 12.51068
227.3462 13.32991
227.8283 12.16011
228.3104 11.00449
228.7925 10.93439
229.2746 12.42714
229.7568 13.94205
230.2389 15.44524
230.7210 16.94261
231.2031 18.42064
231.6852 19.92589
232.1673 21.33841
232.6495 22.50690
233.1316 23.03084
233.6137 24.25464
234.0958 26.55510
234.5779 29.48889
235.0600 31.77626
235.5422 33.26305
236.0243 34.36433
236.5064 35.21404
236.9885 35.60509
237.4706 36.25658
237.9527 37.52542
238.4349 38.95056
238.9170 39.30450
239.3991 38.07635
239.8812 36.53897
240.3633 35.16902
240.8454 33.91064
241.3276 33.00729
241.8097 32.77963
242.2918 32.80011
242.7739 31.95837
243.2560 29.16087
243.7381 27.19930
244.2203 27.36182
244.7024 30.71217
245.1845 33.15182
245.6666 34.25818
246.1487 34.65332
246.6308 35.52692
247.1130 36.94711
247.5951 38.74046
248.0772 40.80373
248.5593 43.07524
249.0414 45.94824
249.5235 49.89946
250.0057 54.14368
250.4878 57.52055
250.9699 60.10481
251.4520 61.70288
251.9341 62.40990
252.4162 62.47855
252.8984 60.36038
253.3805 55.44507
253.8626 48.75905
254.3447 41.79823
254.8268 34.01602
255.3089 26.85185
255.7911 20.75577
256.2732 15.72319
256.7553 11.50621
257.2374 8.101273
257.7195 5.509262
258.2017 3.786942
258.6838 3.152588
259.1659 2.883087
259.6480 2.992935
260.1301 3.523071
260.6122 3.245010
261.0944 1.675171
261.5765 0.1061100
262.0586 0.8600010
262.5407 0.1600800
263.0228 0.3763430
263.5049 0.2920530
263.9871 0.3723450
264.4692 0.5360870
264.9513 2.9343000E-02
265.4334 0.7037810
265.9155 1.231079
266.3976 1.422516
266.8798 1.838120
267.3619 2.675064
267.8440 3.855835
268.3261 4.612274
268.8082 4.715225
269.2903 4.870636
269.7725 5.820465
270.2546 7.849716
270.7367 9.272629
271.2188 9.690063
271.7009 9.342270
272.1830 9.235535
272.6652 9.392883
273.1473 9.591049
273.6294 9.861206
274.1115 10.36029
274.5936 10.58681
275.0757 10.38982
275.5579 9.907013
276.0400 9.474365
276.5221 9.043930
277.0042 8.847672
277.4863 9.127182
277.9684 9.930038
278.4506 10.52855
278.9327 10.78888
279.4148 10.91345
279.8969 11.38075
280.3790 12.24530
280.8611 13.08720
281.3433 13.59145
281.8254 13.76595
282.3075 14.34247
282.7896 15.46188
283.2717 16.75134
283.7538 17.63603
284.2360 18.10634
284.7181 18.35332
285.2002 18.29320
285.6823 17.99966
286.1644 18.08890
286.6465 18.60091
287.1287 19.37416
287.6108 20.17175
288.0929 21.00079
288.5750 22.15768
289.0571 24.13524
289.5392 26.56064
290.0214 27.81538
290.5035 27.79584
290.9856 27.33629
291.4677 27.06122
291.9498 27.01427
292.4319 27.46649
292.9141 28.54985
293.3962 30.15350
293.8783 32.17946
294.3604 34.62596
294.8425 37.05022
295.3246 38.84100
295.8068 40.29639
296.2889 42.36469
296.7710 45.42325
297.2531 49.11377
297.7352 52.97836
298.2173 56.95782
298.6995 60.75552
299.1816 63.41229
299.6637 65.76930
300.1458 69.64066
300.6279 75.57394
301.1100 82.60161
301.5922 89.69838
302.0743 96.86862
302.5564 104.1552
303.0385 111.5358
303.5206 119.1016
304.0027 127.2785
304.4849 136.1912
304.9670 145.0801
305.4491 153.3150
305.9312 160.8949
306.4133 167.8217
306.8954 173.1069
307.3776 178.2793
307.8597 185.1823
308.3418 194.1698
308.8239 202.9184
309.3060 209.1001
309.7881 214.0850
310.2703 219.8317
310.7524 226.9253
311.2345 235.3000
311.7166 245.0649
312.1987 256.1878
312.6808 267.8823
313.1630 279.5729
313.6451 291.7579
314.1272 305.0661
314.6093 318.8219
315.0914 334.3801
315.5735 352.1725
316.0557 372.1739
316.5378 394.2757
317.0199 419.1485
317.5020 445.5705
317.9841 473.1876
318.4662 502.3522
318.9484 531.1885
319.4305 562.2689
319.9126 592.8650
320.3947 615.8283
320.8768 633.0995
321.3589 639.1905
321.8411 631.3817
322.3232 608.9600
322.8053 573.7087
323.2874 518.8389
323.7695 452.6254
324.2516 388.1726
324.7338 322.4839
325.2159 263.4384
325.6980 213.6784
326.1801 173.8425
326.6622 140.3406
327.1443 113.9980
327.6265 93.10852
328.1086 75.94742
328.5907 64.33893
329.0728 54.53445
329.5549 46.27713
330.0370 39.54762
330.5192 33.57788
331.0013 28.17325
331.4834 23.64516
331.9655 20.23055
332.4476 18.64441
332.9297 16.94565
333.4119 15.01222
333.8940 12.85355
334.3761 10.41801
334.8582 7.279480
335.3403 4.616577
335.8224 3.125839
336.3046 3.196442
336.7867 3.306168
337.2688 3.521683
337.7509 3.685532
338.2330 3.422195
338.7151 2.603348
339.1973 1.766846
339.6794 1.114975
340.1615 0.6631470
340.6436 0.2044070
341.1257 0.2832490
341.6078 0.7104800
342.0899 0.8899540
342.5721 0.7864690
343.0542 0.8461910
343.5363 1.354263
344.0184 2.113480
344.5005 2.122726
344.9826 1.284958
345.4648 0.3977970
345.9469 0.3002930
346.4290 0.8847960
346.9111 1.299911
347.3932 1.364807
347.8753 1.213623
348.3575 1.059799
348.8396 0.9086300
349.3217 0.7789000
349.8038 0.7228550
350.2859 0.7019960
350.7680 0.6142120
351.2502 0.4428860
351.7323 0.2297970
352.2144 8.6868003E-02
352.6965 0.4301760
353.1786 0.5592650
353.6607 0.3267210
354.1429 0.1694340
354.6250 0.9545750
355.1071 2.041000
355.5892 2.911316
356.0713 3.011703
356.5534 2.667999
357.0356 2.367035
357.5177 2.570145
357.9998 2.634857
358.4819 2.008011
358.9640 0.7828830
359.4461 0.5128020
359.9283 1.782257
360.4104 2.906769
360.8925 3.745941
361.3746 4.034851
361.8567 4.434967
362.3388 5.508820
362.8210 6.891525
363.3031 7.784027
363.7852 7.016556
364.2673 6.436005
364.7494 7.091843
365.2315 9.536697
365.7137 11.58197
366.1958 12.35670
366.6779 12.64505
367.1600 13.37686
367.6421 15.05353
368.1242 16.77000
368.6064 18.28394
369.0885 19.57971
369.5706 21.12845
370.0527 22.93271
370.5348 24.99744
371.0169 27.36900
371.4991 30.16769
371.9812 33.01863
372.4633 35.81174
372.9454 38.65790
373.4275 41.81229
373.9096 45.09013
374.3918 49.07091
374.8739 53.96175
375.3560 59.89555
375.8381 66.33510
376.3202 73.13681
376.8023 80.52759
377.2845 89.05002
377.7666 98.83897
378.2487 108.6774
378.7308 118.0380
379.2129 127.0473
379.6950 135.6539
380.1772 143.9122
380.6593 151.8525
381.1414 160.1053
381.6235 168.4093
382.1056 174.7753
382.5877 178.1171
383.0699 180.1521
383.5520 184.2928
384.0341 190.3819
384.5162 196.4132
384.9983 199.6959
385.4804 202.2430
385.9626 208.7295
386.4447 219.9446
386.9268 233.3165
387.4089 246.2962
387.8910 259.4791
388.3731 273.9082
388.8553 290.1768
389.3374 307.8625
389.8195 326.3894
390.3016 345.5356
390.7837 365.9738
391.2658 389.7364
391.7480 414.0712
392.2301 436.2735
392.7122 456.5772
393.1943 473.2787
393.6764 486.3658
394.1585 495.2485
394.6407 498.0447
395.1228 496.0616
395.6049 486.5117
396.0870 466.8807
396.5691 434.6351
397.0512 399.9190
397.5334 362.4775
398.0155 324.1374
398.4976 287.6803
398.9797 251.3292
399.4618 218.6943
399.9439 190.6900
400.4261 167.3206
400.9082 146.4652
401.3903 128.0340
401.8724 112.1216
402.3545 98.98334
402.8366 89.75317
403.3188 81.29065
403.8009 73.35886
404.2830 66.00771
404.7651 59.45053
405.2472 53.76559
405.7293 48.92900
406.2115 45.08624
406.6936 42.29370
407.1757 39.47731
407.6578 36.46480
408.1399 33.86235
408.6220 32.69205
409.1042 33.00969
409.5863 32.89830
410.0684 31.31296
410.5505 29.05132
411.0326 28.13177
411.5147 28.50011
411.9969 28.81813
412.4790 27.71454
412.9611 25.84064
413.4432 24.99251
413.9253 25.69972
414.4074 26.76106
414.8896 27.00639
415.3717 26.57983
415.8538 25.82974
416.3359 24.48244
416.8180 23.19006
417.3001 22.61876
417.7823 22.71555
418.2644 22.94069
418.7465 23.01309
419.2286 23.04565
419.7107 23.17439
420.1928 23.86060
420.6750 24.08340
421.1571 23.28003
421.6392 21.69258
422.1213 19.98306
422.6034 17.75008
423.0855 15.94032
423.5677 14.96683
424.0498 15.02115
424.5319 15.37593
425.0140 16.56184
425.4961 17.75601
425.9782 18.08803
426.4604 16.56360
426.9425 15.65041
427.4246 15.86266
427.9067 17.04199
428.3888 18.03316
428.8709 18.69931
429.3531 19.41670
429.8352 20.48326
430.3173 22.00911
430.7994 23.17238
431.2815 23.81087
431.7636 24.29620
432.2458 25.27722
432.7279 26.78461
433.2100 28.21350
433.6921 29.24736
434.1742 30.05501
434.6563 31.03586
435.1385 32.18114
435.6206 34.02962
436.1027 37.63899
436.5848 42.33585
437.0669 46.26598
437.5490 49.01164
438.0312 51.09329
438.5133 52.71295
438.9954 54.12993
439.4775 56.05916
439.9596 59.40184
440.4417 63.08899
440.9239 66.10690
441.4060 68.39960
441.8881 70.66937
442.3702 74.01555
442.8523 77.18384
443.3344 78.98660
443.8166 78.59631
444.2987 77.38907
444.7808 75.40573
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