#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:00:36 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1024 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000479.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_1000479
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 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            R050347.rod
_rod_data_source.block           3500000
_rod_database.code               1000479
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
130.9229 0.0000000E+00
131.4050 2.067444
131.8871 7.217590
132.3692 13.63800
132.8513 20.88177
133.3334 27.40900
133.8156 31.32678
134.2977 33.94312
134.7798 37.70062
135.2619 41.30756
135.7440 44.41376
136.2261 47.08386
136.7083 50.29199
137.1904 54.31110
137.6725 58.01764
138.1546 60.47980
138.6367 61.87152
139.1188 61.96008
139.6010 60.49231
140.0831 57.61945
140.5652 54.49084
141.0473 50.83221
141.5294 47.19702
142.0115 44.33905
142.4937 42.31500
142.9758 40.79547
143.4579 39.71002
143.9400 39.11896
144.4221 38.65088
144.9042 38.67889
145.3864 39.13556
145.8685 39.18890
146.3506 36.61621
146.8327 33.63049
147.3148 31.09729
147.7969 30.21863
148.2791 29.35309
148.7612 28.17963
149.2433 23.80316
149.7254 20.41376
150.2075 20.10559
150.6896 20.42596
151.1718 20.55707
151.6539 21.29797
152.1360 20.75458
152.6181 17.83380
153.1002 13.44958
153.5823 10.33948
154.0645 9.714905
154.5466 9.610962
155.0287 9.115662
155.5108 7.900574
155.9929 6.543579
156.4750 4.762756
156.9572 2.773987
157.4393 1.533936
157.9214 2.353943
158.4035 3.294250
158.8856 3.151184
159.3677 0.1204830
159.8499 2.475037
160.3320 3.547668
160.8141 3.287048
161.2962 2.808167
161.7783 2.302185
162.2604 1.830627
162.7426 1.444275
163.2247 0.9254150
163.7068 0.6904300
164.1889 0.8992310
164.6710 1.545959
165.1531 2.455078
165.6353 5.167725
166.1174 7.812439
166.5995 8.398315
167.0816 4.105591
167.5637 1.022705
168.0458 3.548706
168.5280 3.920227
169.0101 4.148193
169.4922 6.236267
169.9743 8.442444
170.4564 9.418884
170.9385 7.536499
171.4207 5.069214
171.9028 4.178589
172.3849 4.732544
172.8670 5.607483
173.3491 6.508423
173.8312 7.391418
174.3134 8.124451
174.7955 8.593628
175.2776 8.896851
175.7597 9.094543
176.2418 9.179504
176.7239 9.313171
177.2061 9.650757
177.6882 10.16278
178.1703 10.76849
178.6524 11.39105
179.1345 12.10828
179.6166 13.18640
180.0988 14.75269
180.5809 16.14801
181.0630 16.62085
181.5451 16.28259
182.0272 15.54919
182.5093 14.00507
182.9915 12.24054
183.4736 12.04749
183.9557 13.89050
184.4378 16.02460
184.9199 15.79187
185.4020 13.49744
185.8842 11.32623
186.3663 10.35516
186.8484 10.46136
187.3305 11.55640
187.8126 14.01062
188.2947 16.50397
188.7769 16.60199
189.2590 14.47913
189.7411 12.26318
190.2232 11.15179
190.7053 11.01105
191.1874 11.08844
191.6696 11.49554
192.1517 11.77771
192.6338 10.77777
193.1159 8.438965
193.5980 6.344971
194.0801 5.692078
194.5623 6.357361
195.0444 6.529114
195.5265 5.893127
196.0086 4.894104
196.4907 4.660645
196.9728 5.314392
197.4550 5.673096
197.9371 4.668030
198.4192 2.263000
198.9013 0.7756350
199.3834 0.6083980
199.8655 1.254883
200.3477 1.535217
200.8298 1.409058
201.3119 1.107849
201.7940 0.7532350
202.2761 0.3775020
202.7582 5.3955000E-02
203.2404 0.8375240
203.7225 1.653015
204.2046 0.9776000
204.6867 1.753601
205.1688 4.477417
205.6509 5.736694
206.1331 5.246704
206.6152 4.177490
207.0973 2.277527
207.5794 0.1134640
208.0615 0.4352420
208.5436 1.103271
209.0258 3.055237
209.5079 4.485413
209.9900 5.395264
210.4721 5.729370
210.9542 5.368958
211.4363 4.446350
211.9185 3.333069
212.4006 1.725464
212.8827 0.5877080
213.3648 0.6745610
213.8469 2.376526
214.3290 3.837280
214.8112 4.883606
215.2933 5.574402
215.7754 6.308716
216.2575 7.198120
216.7396 7.910583
217.2217 8.144104
217.7038 7.516357
218.1860 7.177063
218.6681 7.374756
219.1502 7.984680
219.6323 8.594482
220.1144 9.468201
220.5965 9.879700
221.0787 9.192078
221.5608 6.606812
222.0429 5.115784
222.5250 5.315125
223.0071 6.662354
223.4892 7.043335
223.9714 6.076416
224.4535 4.897156
224.9356 4.347717
225.4177 4.546509
225.8998 4.793030
226.3819 4.991821
226.8641 5.232788
227.3462 5.866821
227.8283 7.186646
228.3104 8.442749
228.7925 9.217285
229.2746 9.341064
229.7568 9.336304
230.2389 9.045044
230.7210 8.659119
231.2031 8.824158
231.6852 9.778992
232.1673 10.91730
232.6495 11.99670
233.1316 13.20892
233.6137 13.89209
234.0958 13.75586
234.5779 13.12970
235.0600 13.04242
235.5422 14.21234
236.0243 14.88928
236.5064 13.96570
236.9885 9.550659
237.4706 7.880127
237.9527 10.24335
238.4349 15.02478
238.9170 18.18195
239.3991 19.08057
239.8812 19.29803
240.3633 19.39929
240.8454 19.20282
241.3276 19.35797
241.8097 20.02759
242.2918 20.98279
242.7739 21.70886
243.2560 22.08759
243.7381 22.42236
244.2203 22.81104
244.7024 23.22961
245.1845 23.78223
245.6666 24.49957
246.1487 25.33765
246.6308 26.28729
247.1130 27.62384
247.5951 28.61792
248.0772 28.91418
248.5593 28.25598
249.0414 27.82697
249.5235 27.58350
250.0057 27.59027
250.4878 28.00940
250.9699 29.09332
251.4520 30.14014
251.9341 30.97015
252.4162 31.63153
252.8984 31.96954
253.3805 32.50421
253.8626 32.29889
254.3447 29.70569
254.8268 23.28937
255.3089 17.35480
255.7911 13.26172
256.2732 11.19830
256.7553 9.154175
257.2374 7.116577
257.7195 5.194458
258.2017 3.437256
258.6838 1.757690
259.1659 0.3628540
259.6480 0.7897950
260.1301 1.717957
260.6122 1.782227
261.0944 0.3548580
261.5765 1.114990
262.0586 0.9318850
262.5407 1.694641
263.0228 3.485352
263.5049 3.572083
263.9871 2.019409
264.4692 0.6265260
264.9513 0.5792240
265.4334 1.560608
265.9155 2.550110
266.3976 3.893677
266.8798 4.411621
267.3619 3.450928
267.8440 1.287537
268.3261 0.4071660
268.8082 1.054138
269.2903 2.451477
269.7725 4.418396
270.2546 7.408569
270.7367 8.384766
271.2188 6.069763
271.7009 1.675537
272.1830 0.3233030
272.6652 2.810486
273.1473 6.094238
273.6294 8.230469
274.1115 9.082581
274.5936 9.490784
275.0757 9.432434
275.5579 9.059875
276.0400 8.606628
276.5221 7.882507
277.0042 7.818726
277.4863 9.322205
277.9684 12.55420
278.4506 15.02789
278.9327 16.44965
279.4148 17.19452
279.8969 18.07410
280.3790 19.14624
280.8611 19.98969
281.3433 20.21356
281.8254 19.83325
282.3075 19.93817
282.7896 20.66266
283.2717 21.67175
283.7538 22.46710
284.2360 23.08276
284.7181 23.64825
285.2002 24.18115
285.6823 24.74847
286.1644 25.24713
286.6465 25.57190
287.1287 26.35315
287.6108 28.76349
288.0929 32.64905
288.5750 35.87671
289.0571 37.29688
289.5392 37.41772
290.0214 38.29663
290.5035 40.06494
290.9856 41.62543
291.4677 41.11914
291.9498 39.02142
292.4319 38.35132
292.9141 40.61975
293.3962 44.58209
293.8783 47.60944
294.3604 49.67859
294.8425 50.76788
295.3246 50.11853
295.8068 48.42279
296.2889 48.07648
296.7710 50.31287
297.2531 53.39429
297.7352 54.09985
298.2173 52.67462
298.6995 51.23639
299.1816 51.34198
299.6637 52.53473
300.1458 53.92096
300.6279 55.44775
301.1100 56.88092
301.5922 57.58435
302.0743 57.79260
302.5564 58.48022
303.0385 60.73236
303.5206 63.63715
304.0027 65.67151
304.4849 66.30579
304.9670 67.32153
305.4491 71.18097
305.9312 76.79431
306.4133 81.55017
306.8954 83.10272
307.3776 83.74951
307.8597 85.81744
308.3418 89.57239
308.8239 93.83521
309.3060 98.11389
309.7881 102.3276
310.2703 106.1934
310.7524 108.4837
311.2345 111.2732
311.7166 116.5965
312.1987 124.3729
312.6808 131.7316
313.1630 136.7567
313.6451 140.6828
314.1272 144.8652
314.6093 148.4313
315.0914 153.5022
315.5735 161.7913
316.0557 172.7731
316.5378 183.6834
317.0199 192.3140
317.5020 200.9149
317.9841 211.3676
318.4662 224.6816
318.9484 238.9167
319.4305 254.1721
319.9126 269.8293
320.3947 284.2831
320.8768 298.5634
321.3589 310.5876
321.8411 319.5443
322.3232 325.3994
322.8053 327.6477
323.2874 327.0225
323.7695 322.5249
324.2516 312.5828
324.7338 295.2231
325.2159 273.9806
325.6980 248.7990
326.1801 218.2803
326.6622 189.8873
327.1443 163.2433
327.6265 139.1306
328.1086 118.2988
328.5907 102.2801
329.0728 88.06165
329.5549 75.39972
330.0370 64.24561
330.5192 54.22150
331.0013 44.54108
331.4834 36.55499
331.9655 31.32275
332.4476 31.03082
332.9297 29.70734
333.4119 26.48608
333.8940 21.81421
334.3761 17.54401
334.8582 13.32947
335.3403 10.16864
335.8224 8.895020
336.3046 10.51587
336.7867 10.90631
337.2688 9.572815
337.7509 7.279358
338.2330 5.545288
338.7151 4.507507
339.1973 3.641846
339.6794 2.783752
340.1615 1.947632
340.6436 0.9321900
341.1257 0.4364620
341.6078 1.556030
342.0899 1.264343
342.5721 0.5989990
343.0542 1.714233
343.5363 1.171448
344.0184 0.6345210
344.5005 2.253357
344.9826 3.735779
345.4648 4.560730
345.9469 3.798523
346.4290 1.685486
346.9111 0.1965330
347.3932 0.1749270
347.8753 0.1229860
348.3575 0.3577880
348.8396 0.5427250
349.3217 0.6775510
349.8038 0.7564090
350.2859 0.8054810
350.7680 0.9548950
351.2502 1.311218
351.7323 1.455261
352.2144 0.5875850
352.6965 0.9626460
353.1786 2.166138
353.6607 2.364014
354.1429 2.017151
354.6250 1.577759
355.1071 1.070007
355.5892 0.7498170
356.0713 0.9299930
356.5534 1.418152
357.0356 1.925537
357.5177 2.452271
357.9998 2.889832
358.4819 3.113403
358.9640 3.151001
359.4461 3.138611
359.9283 3.325500
360.4104 3.389221
360.8925 2.974854
361.3746 1.509583
361.8567 0.3903200
362.3388 0.3182370
362.8210 1.000977
363.3031 1.784363
363.7852 2.772583
364.2673 3.556335
364.7494 3.856018
365.2315 3.465759
365.7137 3.241821
366.1958 3.230225
366.6779 3.512878
367.1600 4.188293
367.6421 6.171143
368.1242 7.615601
368.6064 7.724548
369.0885 6.393250
369.5706 6.160461
370.0527 8.132874
370.5348 10.35620
371.0169 11.50293
371.4991 10.30743
371.9812 10.19641
372.4633 11.72803
372.9454 14.50684
373.4275 17.17395
373.9096 19.98517
374.3918 22.30426
374.8739 23.64545
375.3560 23.71869
375.8381 24.08185
376.3202 24.42609
376.8023 25.43732
377.2845 28.49420
377.7666 33.93524
378.2487 39.43378
378.7308 44.24170
379.2129 48.43555
379.6950 51.94312
380.1772 54.69427
380.6593 57.25226
381.1414 60.06311
381.6235 63.11499
382.1056 66.61078
382.5877 70.65656
383.0699 75.03717
383.5520 79.54095
384.0341 84.15985
384.5162 88.35400
384.9983 91.06219
385.4804 93.23883
385.9626 97.29956
386.4447 103.7704
386.9268 110.5614
387.4089 114.8422
387.8910 117.8071
388.3731 122.0446
388.8553 129.8069
389.3374 138.6865
389.8195 146.0320
390.3016 151.8419
390.7837 158.2882
391.2658 166.9033
391.7480 176.6902
392.2301 186.6708
392.7122 196.9328
393.1943 206.8593
393.6764 216.3815
394.1585 225.3613
394.6407 233.1965
395.1228 239.7512
395.6049 245.1627
396.0870 249.8625
396.5691 254.4600
397.0512 256.3599
397.5334 255.4325
398.0155 251.4157
398.4976 244.0193
398.9797 231.3725
399.4618 217.1610
399.9439 201.3632
400.4261 184.0400
400.9082 168.0985
401.3903 153.4712
401.8724 140.2325
402.3545 128.5532
402.8366 119.6229
403.3188 109.8215
403.8009 98.37268
404.2830 86.39838
404.7651 76.57532
405.2472 69.38104
405.7293 62.97595
406.2115 56.43549
406.6936 49.76849
407.1757 44.88422
407.6578 42.14264
408.1399 40.21118
408.6220 37.46094
409.1042 33.90729
409.5863 30.57935
410.0684 27.59521
410.5505 25.20221
411.0326 24.25281
411.5147 24.81525
411.9969 25.40369
412.4790 24.84259
412.9611 23.44031
413.4432 21.81104
413.9253 19.89990
414.4074 18.34644
414.8896 18.10931
415.3717 18.76978
415.8538 19.33447
416.3359 18.83588
416.8180 18.37421
417.3001 19.18066
417.7823 21.23798
418.2644 23.07709
418.7465 23.81683
419.2286 24.02496
419.7107 24.18744
420.1928 24.46777
420.6750 24.69958
421.1571 24.77374
421.6392 24.72906
422.1213 24.66669
422.6034 24.93457
423.0855 24.92743
423.5677 24.40790
424.0498 23.30469
424.5319 21.79193
425.0140 19.30096
425.4961 16.73236
425.9782 14.99152
426.4604 14.51862
426.9425 14.33807
427.4246 14.56390
427.9067 15.07898
428.3888 14.52777
428.8709 11.86798
429.3531 9.982117
429.8352 11.04114
430.3173 16.03674
430.7994 18.81097
431.2815 18.67889
431.7636 17.10620
432.2458 16.18213
432.7279 15.90436
433.2100 16.25739
433.6921 17.47827
434.1742 19.29224
434.6563 20.56281
435.1385 21.28180
435.6206 22.12689
436.1027 23.80463
436.5848 26.03973
437.0669 28.28687
437.5490 30.56500
438.0312 32.67468
438.5133 34.18774
438.9954 35.35449
439.4775 36.85413
439.9596 39.59448
440.4417 42.48914
440.9239 44.48914
441.4060 45.54187
441.8881 46.52667
442.3702 47.87439
442.8523 49.41943
443.3344 51.01263
443.8166 52.60699
444.2987 54.23834
444.7808 56.12567
445.2629 58.07227
445.7450 59.53156
446.2271 60.17059
446.7093 60.43469
447.1914 60.55402
447.6735 60.72699
448.1556 60.04224
448.6377 58.07147
449.1198 55.53406
449.6020 53.14697
450.0841 51.13635
450.5662 48.89111
451.0483 46.21832
451.5304 43.24249
452.0125 40.62903
452.4947 38.48175
452.9768 36.31268
453.4589 33.88409
453.9410 31.17047
454.4231 27.81158
454.9052 23.40448
455.3874 19.47345
455.8695 18.67828
456.3516 20.51758
456.8337 21.30951
457.3158 19.43951
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