#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:51 +0300 (Thu, 26 Apr 2018) $
#$Revision: 583 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000124.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_1000124
loop_
_publ_author_name
'Groat, L. A.'
'Rossman, G. R.'
'Dyar, M. D.'
'Turner, D.'
'Piccoli, P. M. B.'
'Schultz, A. J.'
'Ottolini, L.'
_publ_section_title
;
 Crystal chemistry of dark blue aquamarine from the True Blue showing,
 Yukon Territory, Canada Note: X-ray
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              597
_journal_page_last               613
_journal_paper_doi               10.3749/canmin.48.3.597
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'True Blue showing, Yukon Territory, Canada'
_chemical_formula_sum
'Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.2909
_cell_length_b                   9.2909
_cell_length_c                   9.1996
_cell_volume                     687.726
_exptl_crystal_density_diffrn    2.816
_cod_original_formula_sum
'Be3 Al1.356 Mg.258 Fe.384 Si6 O18.912 Na.425 H10.944'
_cod_database_code               9015085
_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 helium-neon
_raman_measurement_device.excitation_laser_wavelength 780
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 12
_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            R110118.rod
_rod_data_source.block           3500000
_rod_database.code               1000124
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 9015085 COD http://www.crystallography.net/cod/9015085.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
156.6893 0.0000000E+00
157.1714 1.503662
157.6535 6.7443997E-02
158.1356 0.1492920
158.6177 1.060516
159.0999 2.249207
159.5820 2.188080
160.0641 0.5175170
160.5462 0.1727600
161.0283 0.6536870
161.5104 1.992462
161.9926 3.170837
162.4747 4.082306
162.9568 4.833801
163.4389 5.373413
163.9210 5.725189
164.4031 6.495300
164.8853 8.261719
165.3674 10.36255
165.8495 11.57834
166.3316 11.38150
166.8137 11.30798
167.2958 13.20544
167.7780 16.58752
168.2601 19.66858
168.7422 21.62439
169.2243 22.59674
169.7064 23.01791
170.1885 22.39737
170.6707 21.91956
171.1528 22.42599
171.6349 23.75952
172.1170 25.22864
172.5991 26.10782
173.0812 26.33420
173.5634 27.28885
174.0455 29.98126
174.5276 32.71021
175.0097 34.58298
175.4918 35.70346
175.9739 36.84393
176.4561 38.87463
176.9382 42.07703
177.4203 45.28134
177.9024 48.96869
178.3845 52.29056
178.8666 54.51080
179.3488 55.67728
179.8309 56.57825
180.3130 58.28949
180.7951 61.28690
181.2772 64.06815
181.7593 66.74142
182.2415 69.17090
182.7236 71.25128
183.2057 72.95050
183.6878 74.33865
184.1699 75.51819
184.6520 76.50684
185.1342 77.18045
185.6163 77.40567
186.0984 77.35989
186.5805 77.24719
187.0626 77.13409
187.5447 76.90323
188.0269 76.17487
188.5090 74.64825
188.9911 73.84070
189.4732 74.59088
189.9553 76.20584
190.4374 77.50793
190.9196 78.15814
191.4017 78.39572
191.8838 78.66919
192.3659 79.05576
192.8480 78.93747
193.3301 77.57248
193.8123 75.35611
194.2944 73.81415
194.7765 73.69257
195.2586 73.94479
195.7407 73.37024
196.2228 71.95773
196.7050 70.54227
197.1871 69.72577
197.6692 69.48880
198.1513 69.33728
198.6334 68.76459
199.1155 68.67386
199.5977 69.94385
200.0798 72.54849
200.5619 75.29843
201.0440 77.00836
201.5261 77.53601
202.0082 78.02267
202.4904 78.54752
202.9725 79.11121
203.4546 79.84738
203.9367 80.71350
204.4188 81.40640
204.9009 81.36774
205.3831 80.08743
205.8652 79.67758
206.3473 81.39819
206.8294 83.04907
207.3115 83.38809
207.7936 82.74057
208.2758 81.43594
208.7579 79.74637
209.2400 77.62167
209.7221 76.28979
210.2042 75.51559
210.6863 75.00674
211.1685 74.71692
211.6506 74.62927
212.1327 74.61093
212.6148 73.56592
213.0969 70.38107
213.5790 68.13785
214.0612 68.13507
214.5433 68.36282
215.0254 66.94781
215.5075 63.52692
215.9896 59.70227
216.4717 57.88107
216.9539 59.51016
217.4360 59.68027
217.9181 57.33911
218.4002 53.96042
218.8823 50.78668
219.3644 48.12503
219.8466 45.97409
220.3287 44.49756
220.8108 43.84778
221.2929 42.90555
221.7750 41.26825
222.2571 39.36273
222.7393 37.78131
223.2214 36.69507
223.7035 35.66586
224.1856 34.00443
224.6677 31.76843
225.1498 29.85596
225.6320 28.70633
226.1141 27.97235
226.5962 27.09656
227.0783 25.97577
227.5604 24.75034
228.0425 23.18811
228.5247 21.46719
229.0068 20.57806
229.4889 21.85864
229.9710 24.16849
230.4531 24.79535
230.9352 22.94485
231.4174 20.48618
231.8995 18.68158
232.3816 17.41302
232.8637 16.43445
233.3458 15.71881
233.8279 15.20862
234.3101 14.68066
234.7922 14.06241
235.2743 13.56912
235.7564 13.36221
236.2385 13.35013
236.7206 13.33319
237.2028 13.07587
237.6849 12.71887
238.1670 13.01221
238.6491 14.93240
239.1312 15.97244
239.6133 14.57153
240.0955 11.79962
240.5776 9.388062
241.0597 8.297882
241.5418 8.399689
242.0239 9.219543
242.5060 11.71667
242.9882 13.59546
243.4703 13.92987
243.9524 13.34155
244.4345 12.74829
244.9166 12.69791
245.3987 13.02350
245.8809 12.89999
246.3630 11.50058
246.8451 10.75003
247.3272 11.42816
247.8093 12.83203
248.2914 14.09286
248.7736 14.74722
249.2557 14.89392
249.7378 14.92682
250.2199 14.65268
250.7020 14.50513
251.1841 14.43265
251.6663 14.55008
252.1484 15.09399
252.6305 16.18970
253.1126 17.57816
253.5947 18.45938
254.0768 18.85388
254.5590 18.59976
255.0411 17.60205
255.5232 16.00189
256.0053 13.87555
256.4874 11.26529
256.9695 8.275146
257.4517 5.158417
257.9338 4.688366
258.4159 2.159943
258.8980 4.045197
259.3801 4.917908
259.8622 4.710052
260.3444 3.433441
260.8265 1.809967
261.3086 1.225311
261.7907 2.842621
262.2728 3.693359
262.7549 3.217285
263.2371 2.220062
263.7192 1.468536
264.2013 1.171631
264.6834 1.080902
265.1655 0.7917180
265.6476 1.0010000E-02
266.1298 0.1646120
266.6119 0.9981990
267.0940 2.384430
267.5761 2.952179
268.0582 2.502960
268.5403 1.492035
269.0225 0.3626100
269.5046 0.9548030
269.9867 2.010010
270.4688 2.923157
270.9509 3.491089
271.4330 3.230896
271.9152 2.158875
272.3973 1.306549
272.8794 1.862732
273.3615 3.948853
273.8436 5.078979
274.3257 4.178040
274.8079 3.046875
275.2900 3.258392
275.7721 4.821167
276.2542 6.475616
276.7363 7.240814
277.2184 7.216217
277.7006 7.593536
278.1827 8.601868
278.6648 9.831879
279.1469 11.09579
279.6290 12.36813
280.1111 13.46237
280.5933 14.16565
281.0754 14.63214
281.5575 15.41159
282.0396 16.78915
282.5217 18.14122
283.0038 18.76303
283.4860 18.88153
283.9681 19.77242
284.4502 22.30704
284.9323 25.74483
285.4144 28.44756
285.8965 30.17137
286.3787 31.80823
286.8608 33.97990
287.3429 36.50562
287.8250 38.72920
288.3071 40.51611
288.7892 41.97691
289.2714 43.48825
289.7535 45.24232
290.2356 46.17081
290.7177 45.43724
291.1998 43.55861
291.6819 41.63135
292.1641 39.75336
292.6462 38.15720
293.1283 36.93317
293.6104 36.06815
294.0925 35.98726
294.5746 37.12863
295.0568 39.12799
295.5389 41.29544
296.0210 43.56189
296.5031 45.95808
296.9852 49.33829
297.4673 53.06505
297.9495 55.01483
298.4316 53.80597
298.9137 50.68858
299.3958 47.18175
299.8779 43.15137
300.3600 39.55389
300.8422 37.19304
301.3243 35.70546
301.8064 34.61900
302.2885 33.85941
302.7706 33.48819
303.2527 33.69884
303.7349 34.47916
304.2170 35.14740
304.6991 35.34631
305.1812 35.40558
305.6633 35.72052
306.1454 36.35588
306.6276 37.22791
307.1097 38.47266
307.5918 40.09549
308.0739 41.27155
308.5560 41.04417
309.0381 40.75911
309.5203 42.07062
310.0024 45.18661
310.4845 48.66914
310.9666 51.44177
311.4487 53.69965
311.9308 56.34708
312.4130 59.35112
312.8951 63.13580
313.3772 68.03410
313.8593 73.95883
314.3414 80.34886
314.8235 87.07002
315.3057 94.03781
315.7878 101.0827
316.2699 107.9145
316.7520 114.9809
317.2341 122.6581
317.7162 130.8544
318.1984 139.4562
318.6805 148.7433
319.1626 158.1749
319.6447 167.2237
320.1268 176.1996
320.6089 183.6395
321.0911 189.4998
321.5732 192.9680
322.0553 192.5425
322.5374 187.7964
323.0195 179.2751
323.5016 166.9164
323.9838 150.5945
324.4659 132.6543
324.9480 112.2778
325.4301 92.08687
325.9122 75.28899
326.3943 62.17181
326.8765 51.25623
327.3586 41.54684
327.8407 33.03693
328.3228 26.24870
328.8049 21.66611
329.2870 18.43222
329.7692 15.78029
330.2513 13.66132
330.7334 11.63983
331.2155 9.217209
331.6976 6.756683
332.1797 5.218582
332.6619 4.863892
333.1440 4.975311
333.6261 5.410004
334.1082 5.906723
334.5903 5.712067
335.0724 3.721054
335.5546 1.356796
336.0367 0.7481990
336.5188 2.080704
337.0009 3.270325
337.4830 2.765182
337.9651 1.447144
338.4473 1.055588
338.9294 2.326553
339.4115 3.682999
339.8936 3.665176
340.3757 2.467438
340.8578 1.572037
341.3400 1.620178
341.8221 2.147522
342.3042 2.502411
342.7863 2.734665
343.2684 2.590088
343.7505 1.407990
344.2327 0.2264560
344.7148 0.6501010
345.1969 0.8660740
345.6790 2.627884
346.1611 2.218887
346.6432 2.2384999E-02
347.1254 1.441299
347.6075 0.9392550
348.0896 0.3635100
348.5717 1.040009
349.0538 0.9574740
349.5359 0.7241970
350.0181 0.7732240
350.5002 1.043411
350.9823 1.223602
351.4644 1.225220
351.9465 1.194366
352.4286 1.125961
352.9108 1.070786
353.3929 1.357681
353.8750 2.356842
354.3571 3.577621
354.8392 3.743912
355.3214 2.425110
355.8035 1.202118
356.2856 0.6232150
356.7677 0.5239870
357.2498 0.7666020
357.7319 1.392715
358.2141 1.899094
358.6962 1.438690
359.1783 2.056280
359.6604 1.439224
360.1425 2.209320
360.6246 2.445129
361.1068 1.847366
361.5889 2.242005
362.0710 1.001266
362.5531 2.066528
363.0352 2.686432
363.5173 2.588867
363.9995 1.141449
364.4816 0.3255770
364.9637 1.388580
365.4458 1.977631
365.9279 1.858444
366.4100 2.094597
366.8922 0.7934110
367.3743 1.531509
367.8564 0.6013340
368.3385 3.3752002E-02
368.8206 0.2616880
369.3027 0.9085080
369.7849 1.684326
370.2670 2.477249
370.7491 3.041153
371.2312 2.971634
371.7133 1.901733
372.1954 1.326965
372.6776 1.459686
373.1597 1.865952
373.6418 2.292847
374.1239 2.739792
374.6060 3.295670
375.0881 3.991425
375.5703 4.843048
376.0524 6.404144
376.5345 9.688919
377.0166 12.51828
377.4987 14.15739
377.9808 15.10791
378.4630 15.99167
378.9451 17.09007
379.4272 18.55632
379.9093 20.81628
380.3914 24.66577
380.8735 28.01048
381.3557 30.90443
381.8378 33.24121
382.3199 34.96959
382.8020 36.08063
383.2841 36.51749
383.7662 35.88988
384.2484 33.78355
384.7305 33.50912
385.2126 36.23276
385.6947 39.77603
386.1768 43.35948
386.6589 47.27444
387.1411 52.21970
387.6232 58.67236
388.1053 66.41592
388.5874 74.65085
389.0695 83.45247
389.5516 92.62546
390.0338 101.3767
390.5159 110.8521
390.9980 122.2941
391.4801 136.0589
391.9622 150.9328
392.4443 166.0349
392.9265 181.5342
393.4086 195.3902
393.8907 207.7694
394.3728 217.7737
394.8549 225.4579
395.3370 230.5200
395.8192 231.9384
396.3013 228.6826
396.7834 221.2955
397.2655 211.4179
397.7476 198.8562
398.2297 184.3103
398.7119 166.0758
399.1940 146.6888
399.6761 129.5397
400.1582 115.7101
400.6403 103.7805
401.1224 92.32904
401.6046 81.31900
402.0867 71.75348
402.5688 64.17117
403.0509 58.13713
403.5330 53.00928
404.0151 48.78777
404.4973 44.61882
404.9794 39.85440
405.4615 35.03094
405.9436 30.81493
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406.9078 24.33539
407.3900 22.54756
407.8721 21.70657
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409.3184 18.77342
409.8005 18.75383
410.2827 19.35757
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411.2469 18.66641
411.7290 17.31726
412.2111 16.62932
412.6932 16.55931
413.1754 17.07002
413.6575 18.72517
414.1396 20.65768
414.6217 21.68596
415.1038 21.71294
415.5859 21.98489
416.0681 23.81129
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417.0323 30.57547
417.5144 33.13942
417.9965 35.63533
418.4786 38.29788
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419.4429 44.20587
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420.8892 53.36481
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424.7462 41.07704
425.2283 35.93051
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430.0494 10.98947
430.5316 9.865753
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431.4958 5.817520
431.9779 4.959167
432.4600 5.225494
432.9421 6.150635
433.4243 7.721390
433.9064 9.699402
434.3885 11.10164
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438.2454 24.46330
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439.2097 31.35989
439.6918 34.64131
440.1739 37.97464
440.6560 41.55363
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444.5129 69.64580
444.9951 70.33829
445.4772 71.04919
445.9593 71.28287
446.4414 72.09229
446.9235 74.44873
447.4056 77.39496
447.8878 79.65903
448.3699 80.79221
448.8520 80.83856
449.3341 79.84460
449.8162 77.71979
450.2983 74.66397
450.7805 70.34247
451.2626 65.56439
451.7447 60.69283
452.2268 55.71323
452.7089 50.28316
453.1910 44.07697
453.6732 37.50679
454.1553 32.41609
454.6374 29.51125
455.1195 26.96843
455.6016 24.87929
456.0837 22.73502
456.5659 19.83968
457.0480 16.16190
457.5301 12.79605
458.0122 11.16765
458.4943 11.22536
458.9764 10.58662
459.4586 8.820038
459.9407 6.872925
460.4228 4.822464
460.9049 3.017502
461.3870 2.228241
461.8691 3.185440
462.3513 4.500137
462.8334 4.234482
463.3155 2.464096
463.7976 1.182373
464.2797 1.109543
464.7618 1.678574
465.2440 2.358276
465.7261 3.178085
466.2082 3.449341
466.6903 2.471161
467.1724 1.073532
467.6545 0.1967620
468.1367 8.0444001E-02
468.6188 7.2967999E-02
469.1009 0.6958160
469.5830 1.622131
470.0651 2.019135
470.5472 1.397064
471.0294 0.9408420
471.5115 1.112961
471.9936 1.547775
472.4757 1.729874
472.9578 1.545715
473.4399 1.364029
473.9221 1.710175
474.4042 2.817062
474.8863 3.065155
475.3684 1.422501
475.8505 0.1177670
476.3326 0.2891540
476.8148 1.300827
477.2969 1.982895
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