#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:00:32 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1023 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000478.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_1000478
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        R050305
_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            R050305.rod
_rod_data_source.block           3500000
_rod_database.code               1000478
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
128.0302 0.0000000E+00
128.5123 0.6505740
128.9944 0.7742610
129.4765 0.1329730
129.9586 1.0864000E-02
130.4407 1.696609
130.9229 4.755844
131.4050 7.268066
131.8871 8.677017
132.3692 9.393600
132.8513 10.15853
133.3334 10.74660
133.8156 11.04366
134.2977 11.58406
134.7798 12.77486
135.2619 13.80341
135.7440 14.51552
136.2261 14.92797
136.7083 15.09308
137.1904 14.95646
137.6725 14.77245
138.1546 14.89331
138.6367 15.43076
139.1188 15.65836
139.6010 15.35269
140.0831 14.51732
140.5652 13.58994
141.0473 12.51099
141.5294 11.39872
142.0115 10.42383
142.4937 9.600060
142.9758 8.835663
143.4579 8.061211
143.9400 7.227158
144.4221 6.640434
144.9042 6.438095
145.3864 6.398087
145.8685 6.132263
146.3506 5.341652
146.8327 4.713234
147.3148 4.476288
147.7969 4.778038
148.2791 5.128609
148.7612 5.687904
149.2433 6.279388
149.7254 6.482719
150.2075 5.769569
150.6896 5.129364
151.1718 4.946602
151.6539 5.744682
152.1360 6.233910
152.6181 6.192383
153.1002 5.797501
153.5823 5.579285
154.0645 5.738106
154.5466 5.955742
155.0287 6.083458
155.5108 6.016388
155.9929 5.961586
156.4750 5.987495
156.9572 6.061783
157.4393 6.058037
157.9214 5.682320
158.4035 5.377747
158.8856 5.418060
159.3677 6.606010
159.8499 7.405312
160.3320 7.169395
160.8141 6.064400
161.2962 5.059853
161.7783 4.427727
162.2604 4.085434
162.7426 4.174789
163.2247 4.609215
163.7068 5.185081
164.1889 6.154984
164.6710 7.347801
165.1531 8.090660
165.6353 7.658875
166.1174 6.801743
166.5995 6.308357
167.0816 6.445122
167.5637 6.907814
168.0458 7.865425
168.5280 8.974136
169.0101 9.863190
169.4922 10.11861
169.9743 10.02014
170.4564 10.05131
170.9385 10.88380
171.4207 11.84099
171.9028 12.11199
172.3849 11.71878
172.8670 11.20462
173.3491 10.94429
173.8312 10.84848
174.3134 10.75353
174.7955 10.62520
175.2776 10.45331
175.7597 10.14237
176.2418 9.663132
176.7239 9.316490
177.2061 9.526405
177.6882 10.10724
178.1703 10.55207
178.6524 10.51709
179.1345 10.21660
179.6166 10.02480
180.0988 9.979294
180.5809 9.938301
181.0630 9.732216
181.5451 9.385658
182.0272 9.011436
182.5093 8.521126
182.9915 8.045265
183.4736 8.033157
183.9557 8.633217
184.4378 9.256950
184.9199 8.967484
185.4020 7.889412
185.8842 6.867958
186.3663 6.493576
186.8484 6.569908
187.3305 6.386864
187.8126 5.836708
188.2947 5.147171
188.7769 4.711060
189.2590 4.514320
189.7411 4.266472
190.2232 3.690361
190.7053 2.865852
191.1874 2.311012
191.6696 2.104874
192.1517 2.096832
192.6338 2.041145
193.1159 1.938629
193.5980 1.773605
194.0801 1.490326
194.5623 1.103752
195.0444 0.8352740
195.5265 0.7630000
196.0086 0.7383730
196.4907 0.3670350
196.9728 0.4022750
197.4550 1.094856
197.9371 1.364311
198.4192 1.203323
198.9013 1.132774
199.3834 1.235725
199.8655 1.414627
200.3477 1.406998
200.8298 1.172760
201.3119 0.9292910
201.7940 0.8133540
202.2761 0.8357470
202.7582 0.8703160
203.2404 0.9150700
203.7225 0.9560930
204.2046 0.9726940
204.6867 0.9823910
205.1688 0.9047850
205.6509 0.6022490
206.1331 5.1350002E-03
206.6152 0.2351380
207.0973 0.1272740
207.5794 0.8126680
208.0615 0.9205250
208.5436 0.2517170
209.0258 0.4412990
209.5079 0.6506880
209.9900 0.2492450
210.4721 1.5053000E-02
210.9542 7.9513997E-02
211.4363 2.2644000E-02
211.9185 0.2534330
212.4006 0.7217790
212.8827 1.086609
213.3648 1.039398
213.8469 0.3601840
214.3290 9.6152999E-02
214.8112 0.4600750
215.2933 1.265549
215.7754 1.862541
216.2575 2.210732
216.7396 2.426888
217.2217 2.546173
217.7038 2.503868
218.1860 2.562370
218.6681 2.768929
219.1502 3.084778
219.6323 3.383385
220.1144 3.707527
220.5965 3.939034
221.0787 3.953087
221.5608 3.562584
222.0429 3.478424
222.5250 3.827209
223.0071 4.505913
223.4892 5.148087
223.9714 5.821854
224.4535 6.363136
224.9356 6.648598
225.4177 6.500290
225.8998 6.546265
226.3819 6.949409
226.8641 7.553635
227.3462 7.748474
227.8283 7.198372
228.3104 6.749557
228.7925 6.867882
229.2746 7.815292
229.7568 8.760170
230.2389 9.751060
230.7210 10.71612
231.2031 11.37908
231.6852 11.60269
232.1673 11.72607
232.6495 11.89791
233.1316 12.10209
233.6137 12.40298
234.0958 12.87993
234.5779 13.43633
235.0600 13.76287
235.5422 13.65466
236.0243 13.61864
236.5064 13.92487
236.9885 14.86749
237.4706 15.48752
237.9527 15.64854
238.4349 15.51671
238.9170 15.48721
239.3991 15.54018
239.8812 15.72466
240.3633 16.08926
240.8454 16.75233
241.3276 17.30045
241.8097 17.70071
242.2918 17.99159
242.7739 18.21958
243.2560 18.21693
243.7381 18.41459
244.2203 19.07410
244.7024 20.56470
245.1845 21.44080
245.6666 21.40559
246.1487 20.89736
246.6308 20.77447
247.1130 21.26894
247.5951 21.77465
248.0772 22.13228
248.5593 22.42342
249.0414 22.25880
249.5235 21.49110
250.0057 20.35932
250.4878 19.21849
250.9699 18.03382
251.4520 16.89481
251.9341 15.84109
252.4162 14.87337
252.8984 13.97749
253.3805 13.27491
253.8626 12.54446
254.3447 11.43051
254.8268 9.622360
255.3089 7.913437
255.7911 6.569885
256.2732 5.636772
256.7553 4.890564
257.2374 4.381599
257.7195 3.982452
258.2017 3.545120
258.6838 3.030426
259.1659 2.611786
259.6480 2.352142
260.1301 2.253792
260.6122 2.050011
261.0944 1.687103
261.5765 1.283493
262.0586 0.9279400
262.5407 0.5488280
263.0228 0.4504620
263.5049 0.8722310
263.9871 1.796906
264.4692 2.061676
264.9513 1.301147
265.4334 0.3599320
265.9155 0.1819690
266.3976 1.157578
266.8798 1.761841
267.3619 1.527550
267.8440 0.5786440
268.3261 0.1537170
268.8082 0.4094700
269.2903 0.9019170
269.7725 1.303604
270.2546 1.608780
270.7367 1.846336
271.2188 2.011360
271.7009 2.081322
272.1830 2.044350
272.6652 1.915237
273.1473 1.757225
273.6294 1.553528
274.1115 1.265808
274.5936 1.153084
275.0757 1.265739
275.5579 1.546593
276.0400 1.853363
276.5221 2.197655
277.0042 2.521240
277.4863 2.750450
277.9684 2.868530
278.4506 3.136230
278.9327 3.609161
279.4148 4.188728
279.8969 4.721451
280.3790 5.228760
280.8611 5.560577
281.3433 5.536224
281.8254 5.158417
282.3075 4.997314
282.7896 5.096466
283.2717 5.354950
283.7538 5.561539
284.2360 5.705666
284.7181 6.078117
285.2002 6.983612
285.6823 8.329948
286.1644 9.233360
286.6465 9.622498
287.1287 9.821289
287.6108 10.20928
288.0929 10.76404
288.5750 11.28877
289.0571 11.70925
289.5392 12.04375
290.0214 12.27047
290.5035 12.37294
290.9856 12.49975
291.4677 12.74870
291.9498 13.14050
292.4319 13.78176
292.9141 14.82644
293.3962 16.06911
293.8783 17.14435
294.3604 18.05337
294.8425 18.61108
295.3246 18.34013
295.8068 17.53947
296.2889 17.25729
296.7710 17.92819
297.2531 19.01930
297.7352 19.60076
298.2173 19.72396
298.6995 19.81668
299.1816 20.22379
299.6637 20.82748
300.1458 21.36385
300.6279 21.76871
301.1100 22.13907
301.5922 22.56430
302.0743 23.04644
302.5564 23.59438
303.0385 24.01939
303.5206 24.57418
304.0027 25.76761
304.4849 27.79411
304.9670 29.86943
305.4491 31.11107
305.9312 31.79128
306.4133 32.56999
306.8954 33.77366
307.3776 35.24065
307.8597 36.82988
308.3418 38.55556
308.8239 40.30717
309.3060 41.89886
309.7881 43.49842
310.2703 45.31657
310.7524 47.85048
311.2345 50.35881
311.7166 52.09174
312.1987 53.07693
312.6808 54.29015
313.1630 56.23248
313.6451 58.72320
314.1272 61.58868
314.6093 65.00961
315.0914 68.52637
315.5735 71.82233
316.0557 74.95679
316.5378 78.25124
317.0199 81.81963
317.5020 85.59785
317.9841 89.58794
318.4662 93.62881
318.9484 98.00161
319.4305 103.0836
319.9126 108.5937
320.3947 113.7921
320.8768 118.4708
321.3589 122.7920
321.8411 126.9309
322.3232 131.1334
322.8053 134.4708
323.2874 137.0579
323.7695 138.6211
324.2516 138.7268
324.7338 137.1147
325.2159 134.1999
325.6980 130.0849
326.1801 124.7453
326.6622 118.2746
327.1443 109.9993
327.6265 100.8596
328.1086 91.75864
328.5907 82.37465
329.0728 73.52261
329.5549 65.28210
330.0370 57.62224
330.5192 50.69381
331.0013 44.47610
331.4834 38.95172
331.9655 34.05776
332.4476 29.87061
332.9297 26.18112
333.4119 23.09029
333.8940 20.50835
334.3761 18.11111
334.8582 16.00998
335.3403 13.99558
335.8224 11.87913
336.3046 9.367401
336.7867 7.689476
337.2688 7.172264
337.7509 7.255592
338.2330 6.714874
338.7151 5.316605
339.1973 4.040131
339.6794 3.293747
340.1615 3.108955
340.6436 2.924690
341.1257 2.761894
341.6078 2.563095
342.0899 2.246895
342.5721 1.815636
343.0542 1.326347
343.5363 0.7633670
344.0184 0.1648100
344.5005 0.3648300
344.9826 0.8395610
345.4648 1.111168
345.9469 0.9201130
346.4290 0.3306120
346.9111 0.1396180
347.3932 0.3957600
347.8753 0.4786150
348.3575 0.3987120
348.8396 0.1697010
349.3217 4.3701001E-02
349.8038 0.1265950
350.2859 0.1118160
350.7680 2.9602000E-02
351.2502 0.1595000
351.7323 0.2449340
352.2144 0.2139050
352.6965 1.018417
353.1786 1.553711
353.6607 1.226822
354.1429 0.5917890
354.6250 0.3945160
355.1071 0.6780850
355.5892 0.9598240
356.0713 0.7989580
356.5534 0.4090420
357.0356 0.1065060
357.5177 6.2866002E-02
357.9998 9.7465999E-02
358.4819 9.1445997E-02
358.9640 5.2444000E-02
359.4461 2.4551000E-02
359.9283 4.6654001E-02
360.4104 8.2572997E-02
360.8925 0.1040190
361.3746 0.1106720
361.8567 9.3277000E-02
362.3388 8.4389001E-02
362.8210 5.0712999E-02
363.3031 8.3587997E-02
363.7852 0.4473340
364.2673 0.8315120
364.7494 1.149170
365.2315 1.394203
365.7137 1.561745
366.1958 1.506462
366.6779 1.421501
367.1600 1.533638
367.6421 2.124290
368.1242 2.649422
368.6064 2.987503
369.0885 3.129402
369.5706 3.239471
370.0527 3.173103
370.5348 3.187675
371.0169 3.460541
371.4991 4.132118
371.9812 4.818344
372.4633 5.473274
372.9454 6.129860
373.4275 6.900864
373.9096 7.864304
374.3918 8.823547
374.8739 9.694473
375.3560 10.50937
375.8381 11.08743
376.3202 11.27663
376.8023 11.41708
377.2845 12.04037
377.7666 13.18932
378.2487 14.57751
378.7308 16.18510
379.2129 17.96814
379.6950 19.35674
380.1772 20.25731
380.6593 21.30154
381.1414 23.25063
381.6235 25.98790
382.1056 28.56207
382.5877 30.66506
383.0699 32.63176
383.5520 35.06074
384.0341 37.95310
384.5162 41.09188
384.9983 44.68291
385.4804 48.40472
385.9626 51.46687
386.4447 53.68289
386.9268 55.82327
387.4089 58.53848
387.8910 61.78486
388.3731 65.40527
388.8553 69.55112
389.3374 73.90747
389.8195 78.01384
390.3016 81.85046
390.7837 86.05187
391.2658 91.13582
391.7480 96.68401
392.2301 102.2629
392.7122 107.6791
393.1943 113.2017
393.6764 118.8273
394.1585 124.6348
394.6407 130.7269
395.1228 137.6505
395.6049 144.5040
396.0870 150.8606
396.5691 156.4721
397.0512 162.1111
397.5334 168.7895
398.0155 175.3216
398.4976 180.1419
398.9797 182.6562
399.4618 183.9694
399.9439 184.7495
400.4261 184.9894
400.9082 182.2446
401.3903 175.2050
401.8724 166.4172
402.3545 157.3617
402.8366 148.1540
403.3188 138.5904
403.8009 128.5531
404.2830 118.2695
404.7651 108.0713
405.2472 97.82058
405.7293 88.25961
406.2115 79.69678
406.6936 72.21317
407.1757 65.35928
407.6578 59.09067
408.1399 53.53961
408.6220 48.93019
409.1042 45.24617
409.5863 41.75345
410.0684 38.19107
410.5505 34.70005
411.0326 31.44140
411.5147 28.46751
411.9969 26.09122
412.4790 24.75948
412.9611 24.06958
413.4432 23.12106
413.9253 21.77055
414.4074 20.35944
414.8896 19.16161
415.3717 18.14585
415.8538 17.27969
416.3359 16.78855
416.8180 16.35943
417.3001 15.58663
417.7823 14.45196
418.2644 13.47239
418.7465 12.95554
419.2286 12.73589
419.7107 12.65086
420.1928 12.81278
420.6750 12.83771
421.1571 12.39112
421.6392 11.69524
422.1213 11.31113
422.6034 11.95158
423.0855 12.47048
423.5677 12.26614
424.0498 11.00870
424.5319 10.09393
425.0140 9.879265
425.4961 9.937851
425.9782 9.830627
426.4604 9.447098
426.9425 9.039635
427.4246 8.522675
427.9067 7.973137
428.3888 8.041000
428.8709 9.094299
429.3531 10.11411
429.8352 10.50346
430.3173 10.13081
430.7994 9.737541
431.2815 9.302338
431.7636 8.915306
432.2458 8.636681
432.7279 8.444862
433.2100 8.737953
433.6921 9.910515
434.1742 11.64034
434.6563 12.66695
435.1385 12.98716
435.6206 13.11258
436.1027 13.43378
436.5848 13.90397
437.0669 14.39273
437.5490 14.86965
438.0312 15.37905
438.5133 16.10036
438.9954 16.92007
439.4775 17.52068
439.9596 17.51333
440.4417 17.35969
440.9239 17.44812
441.4060 17.80206
441.8881 18.32518
442.3702 19.18481
442.8523 20.07992
443.3344 20.72915
443.8166 21.06844
444.2987 21.13638
444.7808 20.71255
445.2629 19.99404
445.7450 19.55676
446.2271 20.20879
446.7093 20.56763
447.1914 19.97214
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