#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:14:59 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1027 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000482.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_1000482
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        R050065
_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            R050065.rod
_rod_data_source.block           3500000
_rod_database.code               1000482
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
127.1666 0.0000000E+00
127.6487 5.1258001E-02
128.1308 0.8365440
128.6129 1.946064
129.0950 2.422672
129.5771 2.359955
130.0593 2.202732
130.5414 1.893993
131.0235 1.616726
131.5056 1.892860
131.9877 2.522522
132.4698 3.030502
132.9520 3.181110
133.4341 3.002174
133.9162 3.052238
134.3983 3.514759
134.8804 4.354977
135.3625 5.400410
135.8447 6.656265
136.3268 8.095894
136.8089 9.807850
137.2910 11.87738
137.7731 13.76663
138.2552 15.30360
138.7374 16.47704
139.2195 17.36954
139.7016 17.98026
140.1837 18.32893
140.6658 18.43597
141.1479 18.26975
141.6301 17.93789
142.1122 17.45279
142.5943 16.71327
143.0764 16.08493
143.5585 15.60846
144.0406 15.23769
144.5228 14.79745
145.0049 14.30933
145.4870 13.73260
145.9691 13.05797
146.4512 12.24761
146.9333 11.38107
147.4155 10.38004
147.8976 9.271324
148.3797 8.407516
148.8618 7.835640
149.3439 7.449959
149.8260 7.179562
150.3082 7.279987
150.7903 7.204845
151.2724 6.786629
151.7545 6.013287
152.2366 5.465168
152.7188 5.277985
153.2009 5.260521
153.6830 5.263832
154.1651 5.160233
154.6472 5.182171
155.1293 5.612850
155.6115 6.590401
156.0936 6.846981
156.5757 5.272675
157.0578 3.175781
157.5399 2.011482
158.0220 3.294380
158.5042 4.543030
158.9863 4.688995
159.4684 3.394432
159.9505 2.295788
160.4326 1.981380
160.9147 2.161655
161.3969 2.410419
161.8790 2.786892
162.3611 3.037228
162.8432 2.999962
163.3253 2.570068
163.8074 2.131859
164.2896 1.971363
164.7717 1.952248
165.2538 1.840279
165.7359 1.737774
166.2180 1.711506
166.7001 1.578999
167.1823 1.111614
167.6644 0.8502690
168.1465 1.272335
168.6286 2.204639
169.1107 3.094593
169.5928 3.644203
170.0750 3.955612
170.5571 4.132805
171.0392 4.089607
171.5213 3.962490
172.0034 4.044048
172.4855 4.282516
172.9677 4.435715
173.4498 4.264343
173.9319 3.951000
174.4140 3.731007
174.8961 3.697109
175.3782 3.752697
175.8604 3.794731
176.3425 3.826122
176.8246 3.819309
177.3067 3.636715
177.7888 3.403400
178.2709 3.384502
178.7531 3.723579
179.2352 4.262390
179.7173 4.875359
180.1994 5.555973
180.6815 6.052776
181.1636 5.992558
181.6458 5.540852
182.1279 5.196133
182.6100 5.149132
183.0921 5.295231
183.5742 5.447590
184.0563 5.607109
184.5385 5.736347
185.0206 5.825710
185.5027 5.867870
185.9848 5.791542
186.4669 5.503075
186.9490 5.079914
187.4312 4.741577
187.9133 4.501503
188.3954 4.302975
188.8775 4.105694
189.3596 3.908554
189.8417 3.686928
190.3239 3.448456
190.8060 3.182007
191.2881 2.804626
191.7702 2.286583
192.2523 1.794468
192.7344 1.598591
193.2166 1.700195
193.6987 1.747265
194.1808 1.575390
194.6629 1.204338
195.1450 0.8141980
195.6271 0.3644490
196.1093 2.7660001E-03
196.5914 1.0190000E-03
197.0735 0.4100300
197.5556 0.7602500
198.0377 0.8074800
198.5198 0.5481680
199.0020 0.4294050
199.4841 0.5132260
199.9662 0.6261860
200.4483 0.4065630
200.9304 0.2208370
201.4125 0.7245100
201.8947 0.7984700
202.3768 0.3978160
202.8589 0.1392250
203.3410 2.8793000E-02
203.8231 4.7798000E-02
204.3052 0.2144170
204.7874 0.5863340
205.2695 0.8841510
205.7516 0.9539530
206.2337 0.7646900
206.7158 0.6536450
207.1979 0.6181560
207.6801 0.6367260
208.1622 0.6805840
208.6443 0.7606090
209.1264 0.8377300
209.6085 0.9171030
210.0906 1.025440
210.5728 0.9637680
211.0549 0.6873970
211.5370 0.3144490
212.0191 4.6478000E-02
212.5012 0.1237750
212.9833 0.2053790
213.4655 0.1551860
213.9476 0.1173670
214.4297 0.1792870
214.9118 6.8366997E-02
215.3939 0.4887350
215.8760 0.7280580
216.3581 0.7094350
216.8403 0.6616900
217.3224 0.6896820
217.8045 0.8033030
218.2866 0.9713330
218.7687 1.245857
219.2508 1.554085
219.7330 1.655472
220.2151 1.392101
220.6972 1.208439
221.1793 1.373425
221.6614 2.114056
222.1435 2.563560
222.6257 2.551315
223.1078 2.286999
223.5899 2.394089
224.0720 3.136253
224.5541 3.827061
225.0362 4.098774
225.5184 3.635845
226.0005 3.563034
226.4826 4.104492
226.9647 4.994762
227.4468 5.472233
227.9289 5.290577
228.4111 5.072670
228.8932 5.126926
229.3753 5.635368
229.8574 5.969322
230.3395 5.995842
230.8216 5.869797
231.3038 6.051090
231.7859 6.765301
232.2680 7.453686
232.7501 7.849663
233.2322 7.798344
233.7143 7.791382
234.1965 7.778522
234.6786 7.821533
235.1607 8.141636
235.6428 9.039528
236.1249 9.775639
236.6070 9.951550
237.0892 9.098503
237.5713 8.735752
238.0534 9.038120
238.5355 9.784790
239.0176 10.42527
239.4997 10.97951
239.9819 11.40762
240.4640 11.68204
240.9461 11.76034
241.4282 11.77656
241.9103 11.64595
242.3924 11.48021
242.8746 11.55431
243.3567 11.95086
243.8388 12.46285
244.3209 13.02925
244.8030 13.69070
245.2851 14.29969
245.7673 14.92604
246.2494 15.47311
246.7315 15.68457
247.2136 15.29008
247.6957 14.98998
248.1778 15.07975
248.6600 15.70543
249.1421 16.29758
249.6242 16.93298
250.1063 17.49869
250.5884 17.76243
251.0705 17.62849
251.5527 17.35437
252.0348 17.05526
252.5169 16.79107
252.9990 16.27640
253.4811 15.51835
253.9632 14.49419
254.4454 13.12016
254.9275 11.13340
255.4096 9.284859
255.8917 7.828541
256.3738 6.834419
256.8560 5.959709
257.3381 5.227764
257.8202 4.590397
258.3023 3.954460
258.7844 3.290310
259.2665 2.640999
259.7487 2.055435
260.2308 1.574017
260.7129 1.111217
261.1950 0.6108930
261.6771 0.1630290
262.1592 0.1064950
262.6414 0.1898190
263.1235 0.1429520
263.6056 9.8728001E-02
264.0877 0.5831640
264.5698 0.8203620
265.0519 0.7272420
265.5341 0.4868850
266.0162 0.3095470
266.4983 0.2141720
266.9804 0.1120340
267.4625 5.6435000E-02
267.9446 0.2888180
268.4268 0.2879560
268.9089 5.2958999E-02
269.3910 0.4806630
269.8731 0.6896670
270.3552 0.5906680
270.8373 0.5999110
271.3195 0.8752900
271.8016 1.354721
272.2837 1.513794
272.7658 1.272236
273.2479 0.9560430
273.7300 0.8577460
274.2122 1.004391
274.6943 1.174969
275.1764 1.344494
275.6585 1.505741
276.1406 1.591465
276.6227 1.572121
277.1049 1.577465
277.5870 1.733707
278.0691 2.054558
278.5512 2.344852
279.0333 2.561897
279.5154 2.739925
279.9976 2.988800
280.4797 3.316097
280.9618 3.665562
281.4439 4.040562
281.9260 4.442616
282.4081 4.720974
282.8903 4.824997
283.3724 4.829403
283.8545 4.890949
284.3366 5.007511
284.8187 5.203800
285.3008 5.488937
285.7830 5.865887
286.2651 6.371712
286.7472 7.062206
287.2293 7.790363
287.7114 8.231606
288.1935 8.390217
288.6757 8.569645
289.1578 8.962025
289.6399 9.530357
290.1220 10.05317
290.6041 10.49897
291.0862 10.96248
291.5684 11.68517
292.0505 12.63053
292.5326 13.41228
293.0147 13.77130
293.4968 13.82574
293.9789 13.86144
294.4611 13.85250
294.9432 14.02055
295.4253 14.87269
295.9074 16.21239
296.3895 17.17282
296.8716 17.04967
297.3538 16.41920
297.8359 16.52213
298.3180 17.41288
298.8001 18.31643
299.2822 18.34169
299.7643 17.80402
300.2465 17.51905
300.7286 17.92319
301.2107 18.63750
301.6928 19.16251
302.1749 19.50716
302.6570 19.82957
303.1392 20.16103
303.6213 20.56317
304.1034 21.13485
304.5855 22.00528
305.0676 22.97019
305.5497 23.78983
306.0319 24.50035
306.5140 25.33141
306.9961 26.43712
307.4782 27.73572
307.9603 29.15646
308.4424 30.70498
308.9246 32.31646
309.4067 33.93961
309.8888 35.58533
310.3709 37.31496
310.8530 39.17179
311.3351 41.10212
311.8173 43.04700
312.2994 45.00203
312.7815 47.02633
313.2636 49.09734
313.7457 51.24669
314.2278 53.55244
314.7100 55.91180
315.1921 58.51484
315.6742 61.49146
316.1563 64.86047
316.6384 68.50740
317.1205 72.24095
317.6027 76.20716
318.0848 80.57311
318.5669 85.26437
319.0490 90.46957
319.5311 96.35795
320.0132 102.9521
320.4954 109.7916
320.9775 116.8516
321.4596 124.0239
321.9417 131.1011
322.4238 138.3967
322.9059 145.1973
323.3881 151.9540
323.8702 158.4316
324.3523 162.6697
324.8344 164.2069
325.3165 163.5304
325.7986 160.9550
326.2808 157.2180
326.7629 150.8036
327.2450 140.4451
327.7271 127.0129
328.2092 113.9327
328.6913 100.6764
329.1735 88.29000
329.6556 76.97884
330.1377 66.80103
330.6198 57.56437
331.1019 49.06115
331.5840 41.58485
332.0662 35.60630
332.5483 31.82358
333.0304 28.50917
333.5125 25.17556
333.9946 21.68774
334.4767 18.70062
334.9589 16.33951
335.4410 14.39217
335.9231 12.62706
336.4052 11.09135
336.8873 9.642048
337.3694 8.202549
337.8516 6.796619
338.3336 5.826191
338.8158 5.440136
339.2979 5.172005
339.7800 4.501850
340.2621 3.331127
340.7442 2.513489
341.2263 2.312145
341.7085 2.518806
342.1906 2.460518
342.6727 2.114182
343.1548 1.645039
343.6369 1.011532
344.1190 0.2515410
344.6012 9.6629998E-03
345.0833 0.4380380
345.5654 1.136951
346.0475 1.227352
346.5296 0.7442090
347.0117 0.2350500
347.4939 3.1067001E-02
347.9760 9.0907998E-02
348.4581 1.2768000E-02
348.9402 0.2288170
349.4223 0.4495960
349.9044 0.4086880
350.3866 0.1668010
350.8687 6.6875003E-02
351.3508 0.1834110
351.8329 0.2529640
352.3150 0.4496880
352.7971 0.7664790
353.2793 0.9478030
353.7614 0.5898090
354.2435 5.5769999E-03
354.7256 0.2724270
355.2077 0.1232380
355.6898 0.6099400
356.1720 0.6181560
356.6541 0.2492790
357.1362 5.7925999E-02
357.6183 3.4763001E-02
358.1004 0.2546770
358.5826 0.3374180
359.0647 0.1656460
359.5468 2.9239999E-02
360.0289 0.1810650
360.5110 0.4724010
360.9931 0.6204570
361.4753 0.3521390
361.9574 4.0787000E-02
362.4395 9.3143001E-02
362.9216 1.0433000E-02
363.4037 2.9343000E-02
363.8858 0.3151630
364.3680 0.7211910
364.8501 0.8714790
365.3322 0.2593610
365.8143 0.1649320
366.2964 5.7792999E-02
366.7785 0.5702170
367.2607 1.026760
367.7428 1.005520
368.2249 0.9571720
368.7070 1.161224
369.1891 2.041927
369.6712 2.603279
370.1534 2.587994
370.6355 2.227673
371.1176 2.259468
371.5997 2.921986
372.0818 3.670540
372.5639 4.308868
373.0461 4.831882
373.5282 5.247169
374.0103 5.482189
374.4924 5.683643
374.9745 6.082962
375.4566 6.734837
375.9388 7.414524
376.4209 8.015022
376.9030 8.562153
377.3851 9.354919
377.8672 10.44712
378.3493 11.64513
378.8315 12.73833
379.3136 13.73346
379.7957 14.79681
380.2778 15.95358
380.7599 17.21506
381.2420 18.64094
381.7242 20.20763
382.2063 21.94296
382.6884 23.84062
383.1705 25.91271
383.6526 28.13602
384.1347 30.49469
384.6169 33.03638
385.0990 35.89862
385.5811 38.98877
386.0632 41.88002
386.5453 44.09686
387.0274 46.13575
387.5096 48.47720
387.9917 51.12316
388.4738 54.37768
388.9559 58.78238
389.4380 63.77067
389.9201 68.62708
390.4023 72.92115
390.8844 77.19881
391.3665 81.69955
391.8486 86.47890
392.3307 91.58521
392.8128 96.95702
393.2950 102.7208
393.7771 109.0415
394.2592 116.0022
394.7413 123.2991
395.2234 130.9687
395.7055 138.8353
396.1877 146.6279
396.6698 154.5361
397.1519 162.1176
397.6340 169.5267
398.1161 176.8813
398.5982 182.9534
399.0804 188.4275
399.5625 192.1199
400.0446 193.1553
400.5267 190.9117
401.0088 186.9162
401.4909 181.3428
401.9731 174.1459
402.4552 165.0027
402.9373 153.0366
403.4194 140.5594
403.9015 128.5288
404.3836 116.8739
404.8658 105.8913
405.3479 95.65701
405.8300 86.12977
406.3121 77.08562
406.7942 68.46400
407.2763 60.71027
407.7585 53.94945
408.2406 48.15026
408.7227 43.44980
409.2048 39.93114
409.6869 36.92488
410.1690 33.77670
410.6512 30.61350
411.1333 28.02828
411.6154 26.30961
412.0975 24.99016
412.5796 23.19488
413.0617 21.04473
413.5439 19.11610
414.0260 17.85318
414.5081 17.02176
414.9902 16.31601
415.4723 15.70709
415.9544 15.04946
416.4366 14.13161
416.9187 13.14640
417.4008 12.35513
417.8829 12.03681
418.3650 11.74397
418.8471 11.13382
419.3293 10.30721
419.8114 9.690136
420.2935 9.620697
420.7756 9.692112
421.2577 9.604572
421.7398 9.274040
422.2220 8.923147
422.7041 8.609615
423.1862 8.326349
423.6683 7.997242
424.1504 7.514799
424.6325 7.122431
425.1147 6.940596
425.5968 7.012487
426.0789 6.870361
426.5610 6.369001
427.0431 5.785637
427.5252 5.352158
428.0074 5.132183
428.4895 4.906607
428.9716 4.615374
429.4537 4.317072
429.9358 4.234972
430.4179 4.430748
430.9001 4.623791
431.3822 4.617205
431.8643 4.404959
432.3464 4.421907
432.8285 4.701389
433.3106 5.104523
433.7928 5.468142
434.2749 5.799107
434.7570 6.158545
435.2391 6.584076
435.7212 7.035069
436.2033 7.331663
436.6855 7.506294
437.1676 7.907055
437.6497 9.061905
438.1318 10.51976
438.6139 11.54541
439.0960 11.93938
439.5782 12.20018
440.0603 12.66832
440.5424 13.30272
441.0245 14.01768
441.5066 14.96550
441.9887 15.83443
442.4709 16.40810
442.9530 16.68935
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