#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:07 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1029 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000484.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_1000484
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        R050121
_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            R050121.rod
_rod_data_source.block           3500000
_rod_database.code               1000484
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
132.4698 0.0000000E+00
132.9520 8.7929003E-02
133.4341 7.2525002E-02
133.9162 1.273712
134.3983 3.604050
134.8804 6.881187
135.3625 10.45837
135.8447 14.33900
136.3268 18.51933
136.8089 23.10955
137.2910 28.19662
137.7731 32.96704
138.2552 37.09818
138.7374 40.58908
139.2195 44.23643
139.7016 48.24836
140.1837 51.97471
140.6658 54.36182
141.1479 55.07823
141.6301 55.31081
142.1122 55.71468
142.5943 56.69653
143.0764 57.22983
143.5585 57.10553
144.0406 56.42210
144.5228 55.76186
145.0049 56.33179
145.4870 55.72932
145.9691 54.65098
146.4512 53.55322
146.9333 50.19936
147.4155 45.05649
147.8976 38.86882
148.3797 33.55438
148.8618 29.34047
149.3439 25.62362
149.8260 21.99929
150.3082 18.20000
150.7903 14.81036
151.2724 11.77942
151.7545 9.141068
152.2366 7.007019
152.7188 5.496544
153.2009 4.415695
153.6830 3.627647
154.1651 3.436470
154.6472 3.214951
155.1293 2.889908
155.6115 2.477638
156.0936 1.779716
156.5757 0.2056500
157.0578 1.486252
157.5399 2.442436
158.0220 1.499146
158.5042 0.6234360
158.9863 0.7935330
159.4684 2.421883
159.9505 3.407303
160.4326 2.681992
160.9147 0.9842830
161.3969 0.5894170
161.8790 1.923149
162.3611 2.856026
162.8432 3.195564
163.3253 2.719292
163.8074 2.263428
164.2896 2.182335
164.7717 2.387520
165.2538 2.704834
165.7359 2.989128
166.2180 3.388977
166.7001 4.072853
167.1823 5.209747
167.6644 6.296974
168.1465 6.931999
168.6286 7.246895
169.1107 7.612274
169.5928 8.305779
170.0750 9.119377
170.5571 9.857796
171.0392 10.48238
171.5213 10.99871
172.0034 11.31851
172.4855 11.49556
172.9677 11.75934
173.4498 12.29623
173.9319 12.99954
174.4140 13.70306
174.8961 14.26315
175.3782 14.92268
175.8604 16.11755
176.3425 17.78950
176.8246 19.37634
177.3067 20.42274
177.7888 21.09914
178.2709 21.73762
178.7531 22.46247
179.2352 23.18819
179.7173 23.76830
180.1994 24.20995
180.6815 24.62812
181.1636 25.04566
181.6458 25.50691
182.1279 26.13486
182.6100 27.02549
183.0921 28.08574
183.5742 29.26420
184.0563 30.55757
184.5385 31.65748
185.0206 32.13752
185.5027 32.09908
185.9848 32.00596
186.4669 32.00287
186.9490 32.06570
187.4312 32.14734
187.9133 32.25632
188.3954 32.31991
188.8775 32.16880
189.3596 31.83739
189.8417 31.65665
190.3239 32.04383
190.8060 32.73523
191.2881 32.93931
191.7702 32.59499
192.2523 31.98917
192.7344 31.48202
193.2166 31.07660
193.6987 30.56322
194.1808 29.86604
194.6629 28.98922
195.1450 27.87595
195.6271 26.44755
196.1093 24.98163
196.5914 23.80138
197.0735 22.89381
197.5556 22.40223
198.0377 22.55506
198.5198 23.35806
199.0020 23.91916
199.4841 24.23409
199.9662 24.31424
200.4483 24.01034
200.9304 23.20233
201.4125 22.73172
201.8947 23.19904
202.3768 24.72097
202.8589 25.64413
203.3410 25.89306
203.8231 25.66842
204.3052 25.21941
204.7874 24.45258
205.2695 23.84633
205.7516 23.62102
206.2337 23.79877
206.7158 24.12769
207.1979 24.74892
207.6801 25.41792
208.1622 25.53163
208.6443 24.91786
209.1264 24.20523
209.6085 23.68887
210.0906 23.43013
210.5728 23.18317
211.0549 22.95502
211.5370 22.73015
212.0191 22.47160
212.5012 22.15226
212.9833 21.85763
213.4655 21.60550
213.9476 21.35075
214.4297 21.27324
214.9118 21.45602
215.3939 21.74408
215.8760 21.75333
216.3581 21.39118
216.8403 20.85875
217.3224 20.15826
217.8045 19.26016
218.2866 18.54923
218.7687 18.13686
219.2508 17.94064
219.7330 17.73717
220.2151 17.49342
220.6972 17.23921
221.1793 16.98458
221.6614 16.71654
222.1435 16.49177
222.6257 16.41280
223.1078 16.35037
223.5899 15.88164
224.0720 14.70119
224.5541 13.60760
225.0362 12.96273
225.5184 12.92446
226.0005 12.97373
226.4826 13.16498
226.9647 13.42212
227.4468 13.50647
227.9289 13.26076
228.4111 13.08261
228.8932 13.19885
229.3753 13.84760
229.8574 14.22968
230.3395 14.30214
230.8216 14.10847
231.3038 13.71627
231.7859 12.91524
232.2680 12.22912
232.7501 11.91711
233.2322 12.16904
233.7143 12.35768
234.1965 12.41027
234.6786 12.41186
235.1607 12.63721
235.6428 13.32390
236.1249 13.88528
236.6070 14.01351
237.0892 13.37840
237.5713 13.03903
238.0534 13.06284
238.5355 13.36388
239.0176 13.74944
239.4997 14.35102
239.9819 14.85244
240.4640 15.09377
240.9461 14.93030
241.4282 14.84789
241.9103 14.82862
242.3924 14.89634
242.8746 15.12274
243.3567 15.59581
243.8388 16.09633
244.3209 16.56286
244.8030 17.05394
245.2851 17.33391
245.7673 17.29358
246.2494 17.08833
246.7315 17.07620
247.2136 17.43198
247.6957 17.70083
248.1778 17.61049
248.6600 16.83545
249.1421 16.74547
249.6242 17.69164
250.1063 19.13303
250.5884 19.96731
251.0705 19.77924
251.5527 19.69743
252.0348 20.25349
252.5169 21.82413
252.9990 22.63695
253.4811 22.42548
253.9632 21.63476
254.4454 21.11716
254.9275 21.22449
255.4096 20.93015
255.8917 19.88628
256.3738 18.03247
256.8560 15.66064
257.3381 12.45708
257.8202 8.983070
258.3023 5.974121
258.7844 3.410652
259.2665 1.428421
259.7487 0.1666490
260.2308 0.2631070
260.7129 0.6888120
261.1950 1.134651
261.6771 1.549454
262.1592 1.875092
262.6414 2.132271
263.1235 2.234245
263.6056 2.103615
264.0877 1.715332
264.5698 1.485886
265.0519 1.503288
265.5341 1.559258
266.0162 1.376083
266.4983 0.8542180
266.9804 0.4062040
267.4625 0.1666260
267.9446 0.1319270
268.4268 2.3856999E-02
268.9089 0.3107530
269.3910 0.6970750
269.8731 1.185905
270.3552 1.815926
270.8373 2.388176
271.3195 2.899834
271.8016 3.332550
272.2837 3.447906
272.7658 3.100288
273.2479 2.765495
273.7300 2.986320
274.2122 3.894241
274.6943 4.511093
275.1764 4.535347
275.6585 4.114548
276.1406 4.038528
276.6227 4.367065
277.1049 4.842094
277.5870 5.213394
278.0691 5.452042
278.5512 5.967499
279.0333 6.957748
279.5154 8.201950
279.9976 8.841728
280.4797 8.751945
280.9618 8.709732
281.4439 9.380104
281.9260 10.76960
282.4081 11.95467
282.8903 12.80599
283.3724 13.40174
283.8545 13.79128
284.3366 13.93118
284.8187 14.32716
285.3008 15.51702
285.7830 17.44414
286.2651 18.99937
286.7472 19.96606
287.2293 20.68970
287.7114 21.75266
288.1935 23.15335
288.6757 24.81806
289.1578 26.91049
289.6399 29.31367
290.1220 31.27824
290.6041 32.71778
291.0862 33.87715
291.5684 35.16293
292.0505 36.53476
292.5326 37.60248
293.0147 38.08059
293.4968 38.10138
293.9789 37.93633
294.4611 37.54400
294.9432 37.39280
295.4253 38.28185
295.9074 39.98972
296.3895 41.49815
296.8716 42.35706
297.3538 42.76222
297.8359 43.12750
298.3180 43.47634
298.8001 43.57887
299.2822 43.21419
299.7643 42.42696
300.2465 41.33580
300.7286 39.54359
301.2107 37.76481
301.6928 37.05479
302.1749 37.37553
302.6570 38.04163
303.1392 38.41922
303.6213 38.78724
304.1034 39.63777
304.5855 41.29950
305.0676 43.29132
305.5497 45.03974
306.0319 46.64054
306.5140 48.68174
306.9961 51.95535
307.4782 55.70545
307.9603 59.03654
308.4424 61.53305
308.9246 63.90835
309.4067 66.73098
309.8888 69.86971
310.3709 73.01084
310.8530 75.59351
311.3351 78.28757
311.8173 81.72065
312.2994 86.19206
312.7815 90.90668
313.2636 95.04762
313.7457 99.08437
314.2278 103.9094
314.7100 109.9731
315.1921 116.8466
315.6742 124.3843
316.1563 132.6010
316.6384 141.1456
317.1205 149.2105
317.6027 157.5572
318.0848 167.1087
318.5669 178.2350
319.0490 190.5220
319.5311 204.3468
320.0132 219.7930
320.4954 234.6383
320.9775 248.1927
321.4596 260.8347
321.9417 272.6724
322.4238 286.9860
322.9059 297.0931
323.3881 302.3878
323.8702 302.6272
324.3523 295.9883
324.8344 279.3734
325.3165 257.6408
325.7986 233.5430
326.2808 203.7105
326.7629 175.7546
327.2450 149.5944
327.7271 125.5363
328.2092 104.6856
328.6913 87.51998
329.1735 73.18016
329.6556 61.21125
330.1377 52.47306
330.6198 44.46074
331.1019 36.89125
331.5840 30.15264
332.0662 24.89798
332.5483 21.74605
333.0304 19.17270
333.5125 16.79422
333.9946 14.57230
334.4767 12.60567
334.9589 10.96553
335.4410 9.534683
335.9231 8.165066
336.4052 6.833179
336.8873 5.659443
337.3694 4.697006
337.8516 3.942562
338.3336 3.269688
338.8158 2.672268
339.2979 2.169319
339.7800 1.787239
340.2621 1.545208
340.7442 1.336025
341.2263 1.194801
341.7085 1.052807
342.1906 0.6041260
342.6727 0.2190740
343.1548 0.9511410
343.6369 1.266903
344.1190 1.181854
344.6012 0.9394650
345.0833 0.4944270
345.5654 4.2309001E-02
346.0475 2.1015000E-02
346.5296 0.2833600
347.0117 0.6255150
347.4939 0.8204150
347.9760 0.9110410
348.4581 1.078217
348.9402 1.357765
349.4223 1.551666
349.9044 1.374016
350.3866 0.9110260
350.8687 0.4568560
351.3508 3.2954998E-02
351.8329 0.2707140
352.3150 0.2085420
352.7971 0.2075460
353.2793 0.5590860
353.7614 0.3618240
354.2435 8.3007999E-02
354.7256 0.2608380
355.2077 0.1878050
355.6898 0.6899760
356.1720 0.7172130
356.6541 0.3490100
357.1362 6.5594003E-02
357.6183 0.4138490
358.1004 0.6741180
358.5826 0.8165170
359.0647 0.8094640
359.5468 0.7516210
360.0289 0.5751110
360.5110 0.3919940
360.9931 0.4160190
361.4753 0.9948690
361.9574 1.590828
362.4395 1.867565
362.9216 1.723118
363.4037 1.727737
363.8858 2.245396
364.3680 2.922096
364.8501 3.386833
365.3322 3.134132
365.8143 3.095795
366.2964 3.607414
366.7785 4.660870
367.2607 5.580055
367.7428 6.234161
368.2249 6.787743
368.7070 7.339970
369.1891 7.859650
369.6712 8.414558
370.1534 8.981148
370.6355 9.584633
371.1176 10.31160
371.5997 11.24002
372.0818 12.18777
372.5639 13.03728
373.0461 13.64091
373.5282 14.67118
374.0103 16.26694
374.4924 18.17614
374.9745 20.00466
375.4566 21.73801
375.9388 23.46178
376.4209 25.11381
376.9030 26.74124
377.3851 28.67336
377.8672 30.88852
378.3493 33.54164
378.8315 36.82341
379.3136 40.77102
379.7957 44.89852
380.2778 49.15620
380.7599 53.54633
381.2420 58.32169
381.7242 63.40385
382.2063 68.43666
382.6884 73.20494
383.1705 77.71233
383.6526 81.69925
384.1347 85.02042
384.6169 88.27189
385.0990 91.92639
385.5811 96.03717
386.0632 100.6289
386.5453 105.5565
387.0274 111.0564
387.5096 117.4453
387.9917 124.6916
388.4738 132.5197
388.9559 139.9389
389.4380 147.8465
389.9201 157.5719
390.4023 170.2244
390.8844 183.9170
391.3665 197.3850
391.8486 210.9064
392.3307 225.0289
392.8128 240.7254
393.2950 256.6503
393.7771 272.1824
394.2592 287.3904
394.7413 301.6061
395.2234 315.7300
395.7055 328.3888
396.1877 337.4612
396.6698 343.9146
397.1519 345.3318
397.6340 340.4135
398.1161 328.7205
398.5982 314.5220
399.0804 297.6329
399.5625 278.6120
400.0446 257.7410
400.5267 232.5885
401.0088 208.9539
401.4909 187.4889
401.9731 168.0394
402.4552 150.3429
402.9373 134.5832
403.4194 120.2957
403.9015 107.2402
404.3836 95.36431
404.8658 84.76341
405.3479 75.52798
405.8300 67.61184
406.3121 61.03082
406.7942 55.89561
407.2763 51.24652
407.7585 46.72999
408.2406 42.45953
408.7227 39.18848
409.2048 36.98816
409.6869 35.23170
410.1690 33.45515
410.6512 31.66154
411.1333 29.84791
411.6154 27.96700
412.0975 26.26891
412.5796 25.09937
413.0617 24.38325
413.5439 23.82320
414.0260 23.23318
414.5081 22.76375
414.9902 22.67133
415.4723 22.99400
415.9544 23.34063
416.4366 23.20921
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417.4008 23.04077
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418.3650 25.13510
418.8471 25.72266
419.3293 25.91430
419.8114 26.42253
420.2935 28.04267
420.7756 29.77664
421.2577 30.93176
421.7398 31.34845
422.2220 31.33385
422.7041 30.71542
423.1862 29.74135
423.6683 28.85455
424.1504 28.61738
424.6325 27.93332
425.1147 26.40040
425.5968 23.88523
426.0789 21.55657
426.5610 19.36290
427.0431 17.40788
427.5252 15.81078
428.0074 14.64962
428.4895 13.65882
428.9716 12.81772
429.4537 12.16095
429.9358 11.90898
430.4179 12.19318
430.9001 12.45743
431.3822 12.31172
431.8643 11.73906
432.3464 11.65502
432.8285 12.13701
433.3106 12.82571
433.7928 13.24518
434.2749 13.43968
434.7570 13.76357
435.2391 14.25161
435.7212 14.99382
436.2033 16.30251
436.6855 18.12128
437.1676 19.98119
437.6497 21.56982
438.1318 22.97594
438.6139 24.26870
439.0960 25.38227
439.5782 26.66960
440.0603 28.52409
440.5424 30.75867
441.0245 32.99194
441.5066 35.00711
441.9887 37.04073
442.4709 39.30267
442.9530 41.78320
443.4351 44.12894
443.9172 46.09891
444.3993 47.92950
444.8814 49.76649
445.3636 51.76472
445.8457 53.61599
446.3278 55.36980
446.8099 56.93904
447.2920 58.15680
447.7741 59.03680
448.2563 59.56464
448.7384 59.82500
449.2205 59.90620
449.7026 59.07143
450.1847 57.19060
450.6668 54.58118
451.1490 51.44920
451.6311 47.66206
452.1132 43.79298
452.5953 39.77507
453.0774 35.81181
453.5595 32.23799
454.0417 29.05049
454.5238 26.16415
455.0059 23.48454
455.4880 21.04716
455.9701 18.98270
456.4522 17.34740
456.9344 15.80769
457.4165 13.77666
457.8986 11.52131
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