#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:00:44 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1026 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000481.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_1000481
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 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            R110100.rod
_rod_data_source.block           3500000
_rod_database.code               1000481
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
169.5593 0.0000000E+00
170.0414 0.2926030
170.5236 1.3634000E-02
171.0057 0.1044270
171.4878 0.5121690
171.9699 1.269382
172.4520 1.604919
172.9341 1.545433
173.4163 1.498283
173.8984 1.720909
174.3805 2.156509
174.8626 2.696079
175.3447 3.452164
175.8268 4.219685
176.3090 4.732410
176.7911 4.981194
177.2732 5.189999
177.7553 5.312061
178.2374 5.337257
178.7195 5.444790
179.2017 5.863834
179.6838 6.363220
180.1659 6.511711
180.6480 6.288795
181.1301 6.053696
181.6122 6.227207
182.0944 6.699112
182.5765 7.099487
183.0586 7.171146
183.5407 7.076900
184.0228 7.193977
184.5049 7.548695
184.9871 7.980152
185.4692 8.368805
185.9513 8.698673
186.4334 8.852764
186.9155 8.676540
187.3976 8.272511
187.8798 7.968704
188.3619 7.774315
188.8440 7.681473
189.3261 7.745377
189.8082 7.951122
190.2903 8.095116
190.7725 8.071083
191.2546 7.895016
191.7367 7.638405
192.2188 7.283340
192.7009 6.905758
193.1830 6.598629
193.6652 6.359684
194.1473 6.249996
194.6294 6.408867
195.1115 6.801819
195.5936 6.944210
196.0757 6.748623
196.5579 6.398060
197.0400 6.262821
197.5221 6.363148
198.0042 6.457462
198.4863 6.394726
198.9684 6.172638
199.4506 5.966770
199.9327 5.773056
200.4148 5.624214
200.8969 5.643330
201.3790 5.873009
201.8611 6.045734
202.3433 5.929428
202.8254 5.480827
203.3075 5.286850
203.7896 5.461281
204.2717 5.852333
204.7538 6.074879
205.2360 6.101055
205.7181 6.061710
206.2002 6.039509
206.6823 6.046867
207.1644 5.984402
207.6465 5.834213
208.1287 5.614433
208.6108 5.366440
209.0929 5.080605
209.5750 4.790905
210.0571 4.511963
210.5392 4.232868
211.0214 3.998283
211.5035 3.782856
211.9856 3.624130
212.4677 3.693642
212.9498 4.106750
213.4319 4.493042
213.9140 4.619659
214.3962 4.427071
214.8783 4.185337
215.3604 3.943428
215.8425 3.706970
216.3246 3.487022
216.8067 3.265911
217.2889 3.174980
217.7710 3.237110
218.2531 3.497795
218.7352 3.746532
219.2173 4.004848
219.6994 4.265461
220.1816 4.428848
220.6637 4.425018
221.1458 4.402130
221.6279 4.456734
222.1100 4.655022
222.5921 4.750584
223.0743 4.692753
223.5564 4.516605
224.0385 4.368370
224.5206 4.220139
225.0027 4.149471
225.4848 4.245415
225.9670 4.664463
226.4491 4.852058
226.9312 4.628746
227.4133 4.098972
227.8954 3.986134
228.3775 4.570721
228.8597 5.166679
229.3418 5.304054
229.8239 4.663204
230.3060 4.307972
230.7881 4.414845
231.2702 4.878399
231.7524 5.192402
232.2345 5.270287
232.7166 5.314255
233.1987 5.445019
233.6808 5.716717
234.1629 5.953392
234.6451 6.149223
235.1272 6.302086
235.6093 6.403492
236.0914 6.427643
236.5735 6.435802
237.0556 6.466496
237.5378 6.550293
238.0199 6.587830
238.5020 6.543999
238.9841 6.450127
239.4662 6.446453
239.9483 6.620350
240.4305 6.767612
240.9126 6.752689
241.3947 6.407627
241.8768 6.292091
242.3589 6.579063
242.8410 7.104370
243.3232 7.254204
243.8053 6.777939
244.2874 6.268661
244.7695 6.034630
245.2516 6.194317
245.7337 6.359562
246.2159 6.532158
246.6980 6.699932
247.1801 6.812553
247.6622 6.812866
248.1443 6.843781
248.6264 6.971684
249.1086 7.214699
249.5907 7.523170
250.0728 7.967560
250.5549 8.457581
251.0370 8.766823
251.5191 8.931156
252.0013 8.860065
252.4834 8.461395
252.9655 7.543907
253.4476 6.831455
253.9297 6.449455
254.4118 6.218575
254.8940 5.702190
255.3761 4.746498
255.8582 3.772484
256.3403 2.939129
256.8224 2.238647
257.3046 1.719669
257.7867 1.448338
258.2688 1.319603
258.7509 1.145321
259.2330 0.9402430
259.7151 0.6612170
260.1973 0.2413330
260.6794 0.3934590
261.1615 0.7999690
261.6436 0.9393730
262.1257 0.8806570
262.6078 0.6909140
263.0900 0.2674520
263.5721 3.8017001E-02
264.0542 5.6175001E-02
264.5363 0.2789380
265.0184 0.4456940
265.5005 0.3922770
265.9827 0.2352710
266.4648 0.1298940
266.9469 7.2936997E-02
267.4290 7.9758003E-02
267.9111 0.1749380
268.3932 0.3660770
268.8754 0.5287700
269.3575 0.6857680
269.8396 0.7813220
270.3217 0.7166860
270.8038 0.4479330
271.2859 0.1925320
271.7681 6.8700002E-03
272.2502 0.1094400
272.7323 0.1832580
273.2144 0.2028730
273.6965 0.2007980
274.1786 0.1994090
274.6608 0.1895980
275.1429 0.2352330
275.6250 0.3776400
276.1071 0.5959970
276.5892 0.7091560
277.0714 0.6750640
277.5535 0.6519470
278.0356 0.8478850
278.5177 1.299919
278.9998 1.567764
279.4819 1.483223
279.9641 1.161434
280.4462 1.147491
280.9283 1.508263
281.4104 1.929058
281.8925 2.118389
282.3746 2.069351
282.8568 2.071270
283.3389 2.205151
283.8210 2.411354
284.3031 2.515877
284.7852 2.495804
285.2673 2.474483
285.7495 2.592438
286.2316 2.832077
286.7137 2.884811
287.1958 2.654556
287.6779 2.328876
288.1600 2.339176
288.6422 2.684082
289.1243 2.993103
289.6064 2.938160
290.0885 2.613319
290.5706 2.542877
291.0527 2.843990
291.5349 3.253143
292.0170 3.264099
292.4991 2.916706
292.9812 2.693153
293.4633 2.981628
293.9454 3.620224
294.4276 4.085419
294.9097 4.331089
295.3918 4.492142
295.8739 4.734493
296.3560 5.028057
296.8381 5.280788
297.3203 5.422138
297.8024 5.536140
298.2845 5.832466
298.7666 6.340675
299.2487 6.840981
299.7308 7.065365
300.2130 7.092831
300.6951 7.145237
301.1772 7.234955
301.6593 7.438793
302.1414 7.959209
302.6235 8.787098
303.1057 9.587360
303.5878 9.998650
304.0699 10.21992
304.5520 10.60270
305.0341 11.33614
305.5162 12.21003
305.9984 13.01206
306.4805 13.75126
306.9626 14.54246
307.4447 15.48668
307.9268 16.50421
308.4089 17.50702
308.8911 18.52427
309.3732 19.52376
309.8553 20.42966
310.3374 21.27866
310.8195 22.21594
311.3016 23.25489
311.7838 24.43997
312.2659 25.85609
312.7480 27.59769
313.2301 29.36854
313.7122 30.91978
314.1943 32.38952
314.6765 34.03570
315.1586 35.93391
315.6407 38.06627
316.1228 40.42789
316.6049 42.98810
317.0870 45.86814
317.5692 49.29241
318.0513 53.00939
318.5334 56.63686
319.0155 60.00943
319.4976 63.30927
319.9797 66.77647
320.4619 70.49895
320.9440 73.54532
321.4261 76.07705
321.9082 77.56880
322.3903 77.50244
322.8724 75.68968
323.3546 72.40467
323.8367 67.33224
324.3188 60.53260
324.8009 53.45597
325.2830 45.61749
325.7651 38.07966
326.2473 31.55075
326.7294 26.37048
327.2115 21.88380
327.6936 18.12557
328.1757 15.08039
328.6578 12.46743
329.1400 10.29037
329.6221 8.523132
330.1042 7.155777
330.5863 6.442568
331.0684 5.700426
331.5505 4.873238
332.0327 4.030491
332.5148 3.335793
332.9969 2.821148
333.4790 2.409565
333.9611 2.079586
334.4432 1.849724
334.9254 1.616722
335.4075 1.351315
335.8896 1.108545
336.3717 0.9945390
336.8538 1.106979
337.3359 1.106104
337.8180 0.8421100
338.3001 0.3233660
338.7823 3.6527999E-02
339.2644 6.1806001E-02
339.7465 0.1675780
340.2286 9.2041001E-02
340.7107 0.2182010
341.1928 0.3722570
341.6750 0.2481710
342.1571 7.4786998E-02
342.6392 0.3040730
343.1213 0.4451900
343.6034 0.4773040
344.0855 0.3197040
344.5677 1.4326000E-02
345.0498 0.2217460
345.5319 0.2467460
346.0140 0.1594140
346.4961 5.8630001E-02
346.9782 5.3082000E-02
347.4604 0.1121770
347.9425 3.1505998E-02
348.4246 0.1395030
348.9067 0.2087170
349.3888 0.1555160
349.8709 5.3415000E-02
350.3531 6.7933999E-02
350.8352 0.1793670
351.3173 0.1727160
351.7994 0.1600590
352.2815 0.5868890
352.7636 0.7304740
353.2458 0.5908810
353.7279 0.2670150
354.2100 0.4198460
354.6921 1.195999
355.1742 1.559797
355.6563 1.089228
356.1385 0.4339640
356.6206 0.2178290
357.1027 0.3718510
357.5848 0.5560590
358.0669 0.6191940
358.5490 0.5907100
359.0312 0.4596630
359.5133 0.1185110
359.9954 8.3677001E-02
360.4775 0.2283120
360.9596 0.8269820
361.4417 1.224405
361.9239 1.045340
362.4060 0.7532940
362.8881 0.6248570
363.3702 0.7335490
363.8523 0.7652230
364.3344 0.2407890
364.8166 0.2837490
365.2987 0.1726590
365.7808 1.828808
366.2629 3.371405
366.7450 3.580557
367.2271 2.453411
367.7093 1.619223
368.1914 1.470148
368.6735 1.542643
369.1556 1.534813
369.6377 1.146357
370.1198 1.043762
370.6020 1.436543
371.0841 2.159019
371.5662 2.602932
372.0483 2.566675
372.5304 2.490494
373.0125 2.557661
373.4947 2.825253
373.9768 3.075315
374.4589 3.321815
374.9410 3.542473
375.4231 3.666550
375.9052 3.614475
376.3874 3.697071
376.8695 4.045721
377.3516 4.657888
377.8337 5.159483
378.3158 5.512285
378.7979 5.880512
379.2801 6.488960
379.7622 7.362629
380.2443 8.035587
380.7264 8.373997
381.2085 8.499640
381.6906 8.746021
382.1728 9.114048
382.6549 9.479946
383.1370 9.818134
383.6191 10.09478
384.1012 10.11422
384.5833 9.800081
385.0655 9.418060
385.5476 9.313812
386.0297 9.440903
386.5118 9.639009
386.9939 9.738491
387.4760 9.901848
387.9582 10.41967
388.4403 11.30437
388.9224 12.26601
389.4045 13.03936
389.8866 13.74040
390.3687 14.54372
390.8509 15.56611
391.3330 16.63178
391.8151 17.65917
392.2972 18.64078
392.7793 19.56341
393.2614 20.55054
393.7436 21.38971
394.2257 21.92578
394.7078 22.04082
395.1899 22.05886
395.6720 22.29927
396.1541 22.47235
396.6363 22.11863
397.1184 20.83599
397.6005 19.30879
398.0826 17.72543
398.5647 16.08322
399.0468 14.36701
399.5290 12.32377
400.0111 10.38713
400.4932 8.882175
400.9753 8.071373
401.4574 7.325809
401.9395 6.598253
402.4217 5.883759
402.9038 5.223454
403.3859 4.626434
403.8680 4.105852
404.3501 3.676762
404.8322 3.373636
405.3144 3.028673
405.7965 2.567181
406.2786 2.134617
406.7607 2.036486
407.2428 2.348532
407.7249 2.636368
408.2071 2.758423
408.6892 2.730785
409.1713 2.637014
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410.1355 2.260788
410.6176 2.102451
411.0998 1.999912
411.5819 2.038235
412.0640 2.306620
412.5461 2.612343
413.0282 2.623360
413.5103 2.389149
413.9925 2.189064
414.4746 2.232502
414.9567 2.407639
415.4388 2.515566
415.9209 2.532600
416.4030 2.541664
416.8852 2.646540
417.3673 2.786306
417.8494 2.855171
418.3315 2.821684
418.8136 2.753370
419.2957 2.643835
419.7779 2.509066
420.2600 2.450750
420.7421 2.652271
421.2242 2.868757
421.7063 2.903091
422.1884 2.604900
422.6706 2.306713
423.1527 2.145508
423.6348 2.093372
424.1169 2.029156
424.5990 1.980900
425.0811 1.877453
425.5633 1.626842
426.0454 1.169254
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427.0096 1.310448
427.4917 1.739910
427.9738 1.964741
428.4560 1.879452
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429.4202 1.759727
429.9023 1.752319
430.3844 1.803501
430.8665 1.906235
431.3487 2.087704
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432.3129 2.891502
432.7950 3.177452
433.2771 3.195950
433.7592 3.208374
434.2414 3.655388
434.7235 4.490852
435.2056 5.138016
435.6877 5.311954
436.1698 5.254818
436.6519 5.526077
437.1341 6.108685
437.6162 6.678223
438.0983 6.871655
438.5804 6.923737
439.0625 7.299721
439.5446 8.171204
440.0268 9.049980
440.5089 9.380363
440.9910 9.401550
441.4731 9.596920
441.9552 10.45382
442.4373 11.34441
442.9195 11.89590
443.4016 12.09596
443.8837 12.10126
444.3658 11.80813
444.8479 11.43808
445.3300 11.17533
445.8122 11.31758
446.2943 11.22226
446.7764 10.60333
447.2585 9.662430
447.7406 8.916210
448.2227 8.630543
448.7049 8.313648
449.1870 7.828335
449.6691 7.166729
450.1512 6.388481
450.6333 5.360374
451.1154 4.371204
451.5976 3.744293
452.0797 3.630692
452.5618 3.374577
453.0439 2.786987
453.5260 2.041359
454.0081 1.676620
454.4903 1.738209
454.9724 1.882534
455.4545 1.978539
455.9366 2.012184
456.4187 1.836994
456.9008 1.415287
457.3830 0.9724040
457.8651 0.8045880
458.3472 0.8424000
458.8293 0.8693810
459.3114 0.7874370
459.7935 0.6871490
460.2757 0.7220380
460.7578 0.8586690
461.2399 0.9302480
461.7220 0.7222100
462.2041 0.4611850
462.6862 0.4013330
463.1684 0.6349600
463.6505 0.8166920
464.1326 0.6984630
464.6147 0.4453540
465.0968 0.2685810
465.5789 0.4104080
466.0611 0.4602360
466.5432 0.1890560
467.0253 0.3588330
467.5074 0.6842590
467.9895 0.5949400
468.4716 0.3772930
468.9538 0.1448710
469.4359 0.1869580
469.9180 0.3292160
470.4001 0.1622280
470.8822 0.1113360
471.3643 0.1628190
471.8465 0.1072580
472.3286 0.3091770
472.8107 0.3382150
473.2928 0.2157330
473.7749 8.4880004E-03
474.2570 0.3219110
474.7392 0.5277980
475.2213 0.3315350
475.7034 0.1976430
476.1855 0.5835490
476.6676 0.7670630
477.1497 0.8343010
477.6319 0.8867230
478.1140 0.9167180
478.5961 0.8963660
479.0782 0.7211070
479.5603 0.5464290
480.0424 0.5998310
480.5246 0.8535610
481.0067 1.078285
481.4888 1.070698
481.9709 1.002377
482.4530 1.033428
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