#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:03 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1028 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000483.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_1000483
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        R050120
_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            R050120.rod
_rod_data_source.block           3500000
_rod_database.code               1000483
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
126.2023 0.0000000E+00
126.6844 5.8655001E-02
127.1666 7.3288001E-02
127.6487 0.5922090
128.1308 1.372490
128.6129 2.059067
129.0950 2.091682
129.5771 1.706795
130.0593 1.860535
130.5414 3.092369
131.0235 4.916656
131.5056 5.973656
131.9877 5.853462
132.4698 5.046539
132.9520 4.429352
133.4341 4.000397
133.9162 3.890564
134.3983 4.145309
134.8804 4.745216
135.3625 5.635330
135.8447 6.833977
136.3268 8.267479
136.8089 9.926842
137.2910 11.86900
137.7731 13.74754
138.2552 15.57417
138.7374 17.42255
139.2195 18.51971
139.7016 18.69803
140.1837 18.31210
140.6658 18.09496
141.1479 18.11958
141.6301 18.12159
142.1122 18.00906
142.5943 17.84451
143.0764 17.35223
143.5585 16.33912
144.0406 15.00931
144.5228 14.07638
145.0049 13.81131
145.4870 13.61253
145.9691 13.16984
146.4512 12.43051
146.9333 11.52387
147.4155 10.31390
147.8976 8.855499
148.3797 7.766899
148.8618 7.180748
149.3439 6.834587
149.8260 6.558846
150.3082 6.309891
150.7903 6.170670
151.2724 6.135803
151.7545 6.205070
152.2366 6.385193
152.7188 6.658401
153.2009 7.045517
153.6830 7.563164
154.1651 8.730522
154.6472 9.522896
155.1293 9.564919
155.6115 8.753014
156.0936 8.034279
156.5757 7.280281
157.0578 6.789261
157.5399 6.903938
158.0220 8.645493
158.5042 10.19931
158.9863 10.76550
159.4684 10.08539
159.9505 9.447296
160.4326 9.229584
160.9147 9.302979
161.3969 9.481659
161.8790 9.836418
162.3611 10.20507
162.8432 10.55018
163.3253 10.75020
163.8074 10.86690
164.2896 10.48964
164.7717 9.825897
165.2538 9.466751
165.7359 9.857178
166.2180 10.40232
166.7001 10.68690
167.1823 10.60652
167.6644 10.51501
168.1465 10.73476
168.6286 11.24454
169.1107 11.82139
169.5928 12.33418
170.0750 12.77115
170.5571 13.08239
171.0392 13.14851
171.5213 13.24224
172.0034 13.70470
172.4855 14.42583
172.9677 14.89977
173.4498 14.60049
173.9319 13.91965
174.4140 13.43584
174.8961 13.39874
175.3782 13.51919
175.8604 13.46051
176.3425 13.24639
176.8246 13.07826
177.3067 13.22701
177.7888 13.52335
178.2709 13.60880
178.7531 13.25217
179.2352 12.72917
179.7173 12.46593
180.1994 12.45163
180.6815 12.47908
181.1636 12.38470
181.6458 12.18829
182.1279 11.95306
182.6100 11.66793
183.0921 11.36874
183.5742 11.14365
184.0563 11.00945
184.5385 10.85341
185.0206 10.54623
185.5027 10.10984
185.9848 9.691055
186.4669 9.401443
186.9490 9.157913
187.4312 8.676346
187.9133 7.951721
188.3954 7.095207
188.8775 6.081253
189.3596 4.961510
189.8417 4.208237
190.3239 4.286377
190.8060 4.959183
191.2881 4.933609
191.7702 4.096619
192.2523 3.020531
192.7344 2.378632
193.2166 2.175255
193.6987 2.183228
194.1808 2.469131
194.6629 2.981377
195.1450 3.057060
195.6271 2.610527
196.1093 1.947716
196.5914 1.531822
197.0735 1.385452
197.5556 1.198807
198.0377 0.7400130
198.5198 8.3199999E-04
199.0020 0.3227840
199.4841 0.1060100
199.9662 0.3156890
200.4483 0.3329010
200.9304 0.1397820
201.4125 0.4970090
201.8947 0.3514940
202.3768 0.3665240
202.8589 0.6885150
203.3410 0.5135310
203.8231 5.3146001E-02
204.3052 0.3091160
204.7874 0.5750920
205.2695 0.7261580
205.7516 0.7077830
206.2337 0.4791370
206.7158 0.3806990
207.1979 0.4588580
207.6801 0.6280860
208.1622 0.6917420
208.6443 0.6067660
209.1264 0.5662770
209.6085 0.6811100
210.0906 0.9999050
210.5728 1.244030
211.0549 1.415989
211.5370 1.509499
212.0191 1.478500
212.5012 1.284256
212.9833 1.061115
213.4655 0.8894690
213.9476 0.8136630
214.4297 0.6084750
214.9118 0.2071720
215.3939 0.2952350
215.8760 0.6722450
216.3581 0.9021450
216.8403 1.048080
217.3224 1.111156
217.8045 1.026512
218.2866 1.058517
218.7687 1.268456
219.2508 1.580124
219.7330 1.756767
220.2151 1.686600
220.6972 1.675903
221.1793 1.916321
221.6614 2.585945
222.1435 3.012379
222.6257 3.079666
223.1078 2.928936
223.5899 2.963963
224.0720 3.286110
224.5541 3.633305
225.0362 3.866623
225.5184 3.872040
226.0005 4.063423
226.4826 4.559227
226.9647 5.217411
227.4468 5.625107
227.9289 5.608349
228.4111 5.609001
228.8932 5.834778
229.3753 6.364765
229.8574 6.956394
230.3395 7.737190
230.8216 8.543743
231.3038 8.878750
231.7859 8.403133
232.2680 7.951221
232.7501 7.932751
233.2322 8.634937
233.7143 9.107727
234.1965 9.226582
234.6786 9.139168
235.1607 9.267776
235.6428 9.722836
236.1249 10.23122
236.6070 10.68264
237.0892 11.08664
237.5713 11.40332
238.0534 11.58933
238.5355 11.69835
239.0176 11.85824
239.4997 12.03454
239.9819 12.31474
240.4640 12.77387
240.9461 13.60408
241.4282 14.14507
241.9103 14.24203
242.3924 14.09949
242.8746 14.23800
243.3567 14.90262
243.8388 15.47616
244.3209 15.65334
244.8030 15.15094
245.2851 15.02264
245.7673 15.41478
246.2494 16.12196
246.7315 16.70982
247.2136 17.15374
247.6957 17.51810
248.1778 17.81083
248.6600 17.98598
249.1421 18.25069
249.6242 18.75477
250.1063 19.27094
250.5884 19.36568
251.0705 19.00055
251.5527 18.27010
252.0348 17.14959
252.5169 15.48254
252.9990 13.96973
253.4811 12.70689
253.9632 11.51657
254.4454 10.05718
254.9275 8.069965
255.4096 6.288822
255.8917 4.954357
256.3738 4.111118
256.8560 3.504864
257.3381 3.261295
257.8202 3.210476
258.3023 3.075684
258.7844 2.833340
259.2665 2.487366
259.7487 1.997055
260.2308 1.319668
260.7129 1.046909
261.1950 1.357864
261.6771 1.852051
262.1592 1.968040
262.6414 1.563416
263.1235 1.165009
263.6056 0.9262810
264.0877 0.8656880
264.5698 0.8502350
265.0519 0.8191180
265.5341 0.8828050
266.0162 1.265732
266.4983 2.150204
266.9804 2.803616
267.4625 2.935917
267.9446 2.545353
268.4268 2.530178
268.9089 3.065075
269.3910 3.681847
269.8731 3.890884
270.3552 3.619469
270.8373 3.269794
271.3195 2.893410
271.8016 2.493126
272.2837 2.166019
272.7658 1.937416
273.2479 1.759880
273.7300 1.523640
274.2122 1.180496
274.6943 1.049622
275.1764 1.291534
275.6585 1.794262
276.1406 1.907875
276.6227 1.519817
277.1049 1.126236
277.5870 1.171787
278.0691 1.695480
278.5512 2.189548
279.0333 2.586056
279.5154 2.896267
279.9976 3.136978
280.4797 3.298122
280.9618 3.433437
281.4439 3.547489
281.9260 3.639820
282.4081 3.881035
282.8903 4.347538
283.3724 4.927402
283.8545 5.279682
284.3366 5.398941
284.8187 5.487144
285.3008 5.622269
285.7830 5.816254
286.2651 6.220325
286.7472 6.883724
287.2293 7.688534
287.7114 8.473747
288.1935 9.227726
288.6757 9.900150
289.1578 10.40746
289.6399 10.79420
290.1220 11.22486
290.6041 11.65924
291.0862 12.23196
291.5684 13.31919
292.0505 14.86565
292.5326 16.18687
293.0147 16.80079
293.4968 16.93745
293.9789 17.34837
294.4611 18.10288
294.9432 18.85722
295.4253 19.19560
295.9074 19.17679
296.3895 19.05559
296.8716 19.00574
297.3538 18.91516
297.8359 18.52943
298.3180 17.83166
298.8001 16.98444
299.2822 16.00709
299.7643 14.99158
300.2465 14.20236
300.7286 13.92003
301.2107 13.78991
301.6928 13.26890
302.1749 12.38485
302.6570 11.48713
303.1392 10.82541
303.6213 10.34747
304.1034 9.961460
304.5855 9.527573
305.0676 9.302567
305.5497 9.685001
306.0319 10.57101
306.5140 11.43949
306.9961 12.02627
307.4782 12.36562
307.9603 12.45739
308.4424 12.16098
308.9246 11.87715
309.4067 11.93523
309.8888 12.25960
310.3709 12.63874
310.8530 12.93169
311.3351 13.24178
311.8173 13.66436
312.2994 14.24097
312.7815 14.86306
313.2636 15.51208
313.7457 16.15359
314.2278 16.72801
314.7100 17.05249
315.1921 17.41241
315.6742 17.97810
316.1563 18.77494
316.6384 19.71260
317.1205 20.74734
317.6027 21.88787
318.0848 23.13811
318.5669 24.62806
319.0490 26.12804
319.5311 27.44712
320.0132 28.55773
320.4954 29.96127
320.9775 32.13787
321.4596 34.49442
321.9417 36.49652
322.4238 37.64387
322.9059 38.83561
323.3881 40.58995
323.8702 42.78830
324.3523 44.14725
324.8344 43.91864
325.3165 43.16147
325.7986 42.50202
326.2808 42.96480
326.7629 42.38593
327.2450 40.18548
327.7271 36.72261
328.2092 33.40962
328.6913 30.21407
329.1735 27.21387
329.6556 24.40228
330.1377 21.86344
330.6198 19.34244
331.1019 16.72174
331.5840 14.15985
332.0662 11.90262
332.5483 9.977680
333.0304 8.307541
333.5125 6.901291
333.9946 5.742546
334.4767 4.845417
334.9589 4.306946
335.4410 3.947067
335.9231 3.544609
336.4052 3.076832
336.8873 2.630966
337.3694 2.220798
337.8516 1.850349
338.3336 1.588924
338.8158 1.498672
339.2979 1.386524
339.7800 0.9650800
340.2621 0.1391870
340.7442 0.2560770
341.2263 9.4283998E-02
341.7085 0.8955380
342.1906 1.113453
342.6727 0.6853260
343.1548 7.8979000E-02
343.6369 0.5060690
344.1190 1.050274
344.6012 1.243912
345.0833 0.9536510
345.5654 0.4910050
346.0475 0.4777530
346.5296 0.8826030
347.0117 1.208000
347.4939 1.125278
347.9760 0.7473260
348.4581 0.3909530
348.9402 5.6187000E-02
349.4223 0.1724930
349.9044 9.8061003E-02
350.3866 0.1828540
350.8687 0.3392450
351.3508 0.1054080
351.8329 0.2753070
352.3150 0.4315910
352.7971 0.3667450
353.2793 0.1956410
353.7614 0.1160200
354.2435 0.4515460
354.7256 0.6206700
355.2077 0.5269010
355.6898 0.3009950
356.1720 4.8057999E-02
356.6541 0.4693490
357.1362 0.7460400
357.6183 0.5914420
358.1004 0.3258820
358.5826 0.2520870
359.0647 0.4879840
359.5468 0.7609560
360.0289 0.9843100
360.5110 1.137756
360.9931 1.182964
361.4753 1.033035
361.9574 0.8288080
362.4395 0.6057010
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363.4037 0.2080460
363.8858 0.3317410
364.3680 0.5643310
364.8501 0.7455480
365.3322 0.7108990
365.8143 0.7552680
366.2964 1.033775
366.7785 1.538918
367.2607 1.852951
367.7428 1.694935
368.2249 1.498562
368.7070 1.526867
369.1891 1.900936
369.6712 2.347794
370.1534 3.005337
370.6355 3.736759
371.1176 4.076729
371.5997 3.606331
372.0818 3.284653
372.5639 3.584202
373.0461 4.857094
373.5282 5.535034
374.0103 5.288570
374.4924 4.765457
374.9745 5.032848
375.4566 6.378899
375.9388 7.612343
376.4209 8.353558
376.9030 8.641579
377.3851 8.957733
377.8672 9.302975
378.3493 9.687939
378.8315 10.08676
379.3136 10.50116
379.7957 11.09143
380.2778 11.94603
380.7599 12.94258
381.2420 13.69101
381.7242 14.17937
382.2063 14.95079
382.6884 16.55896
383.1705 18.76608
383.6526 20.64664
384.1347 22.03825
384.6169 23.38297
385.0990 25.31451
385.5811 27.66767
386.0632 29.82430
386.5453 31.05730
387.0274 32.13305
387.5096 34.22856
387.9917 37.33588
388.4738 40.48138
388.9559 42.67537
389.4380 44.45390
389.9201 46.54350
390.4023 49.24628
390.8844 52.21917
391.3665 55.18699
391.8486 58.23508
392.3307 61.57484
392.8128 65.34244
393.2950 69.41402
393.7771 73.69469
394.2592 78.02314
394.7413 82.90800
395.2234 88.73021
395.7055 95.13336
396.1877 101.5676
396.6698 108.0153
397.1519 114.3727
397.6340 120.7694
398.1161 127.2682
398.5982 133.2014
399.0804 138.7664
399.5625 143.6366
400.0446 147.6446
400.5267 151.9312
401.0088 153.6712
401.4909 152.1174
401.9731 147.7764
402.4552 142.6973
402.9373 137.0321
403.4194 130.4737
403.9015 122.6508
404.3836 113.1327
404.8658 103.8296
405.3479 94.71326
405.8300 86.04935
406.3121 78.07707
406.7942 70.78263
407.2763 64.20643
407.7585 58.35553
408.2406 53.20249
408.7227 48.86440
409.2048 45.41146
409.6869 42.47894
410.1690 39.86983
410.6512 37.56362
411.1333 35.29548
411.6154 32.91077
412.0975 30.74086
412.5796 29.36755
413.0617 28.72626
413.5439 28.29700
414.0260 27.90205
414.5081 27.46918
414.9902 26.89532
415.4723 26.15726
415.9544 25.45410
416.4366 24.97615
416.9187 24.63282
417.4008 24.25886
417.8829 23.59785
418.3650 23.04449
418.8471 22.88638
419.3293 23.10094
419.8114 23.40026
420.2935 23.65474
420.7756 23.92688
421.2577 24.29231
421.7398 24.98959
422.2220 25.39812
422.7041 25.36928
423.1862 24.97955
423.6683 24.35080
424.1504 23.22525
424.6325 22.14552
425.1147 21.26773
425.5968 20.60164
426.0789 19.95036
426.5610 19.40344
427.0431 18.79023
427.5252 17.95701
428.0074 16.78255
428.4895 15.65884
428.9716 14.59676
429.4537 13.63791
429.9358 12.98206
430.4179 12.71328
430.9001 12.45416
431.3822 11.94747
431.8643 11.18537
432.3464 10.70749
432.8285 10.52930
433.3106 10.58858
433.7928 10.96581
434.2749 11.60027
434.7570 11.95456
435.2391 11.71711
435.7212 11.21443
436.2033 11.06352
436.6855 11.24797
437.1676 11.58478
437.6497 12.00217
438.1318 12.47201
438.6139 12.99393
439.0960 13.61942
439.5782 14.10649
440.0603 14.03323
440.5424 13.69759
441.0245 13.65704
441.5066 14.43584
441.9887 15.34107
442.4709 16.02582
442.9530 16.47542
443.4351 16.72890
443.9172 16.63708
444.3993 16.44807
444.8814 16.34853
445.3636 16.56007
445.8457 16.60423
446.3278 16.30681
446.8099 15.79655
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