#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:53 +0300 (Thu, 24 May 2018) $
#$Revision: 809 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000300.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_1000300
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 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            R110118.rod
_rod_data_source.block           3500000
_rod_database.code               1000300
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
185.9513 0.0000000E+00
186.4334 2.131683
186.9155 2.063812
187.3976 0.4772950
187.8798 0.2621460
188.3619 1.552643
188.8440 3.283905
189.3261 4.350922
189.8082 4.257843
190.2903 3.729523
190.7725 3.653931
191.2546 3.878143
191.7367 3.439545
192.2188 2.897278
192.7009 0.9193420
193.1830 0.8966670
193.6652 3.024536
194.1473 4.861267
194.6294 4.736603
195.1115 2.838562
195.5936 1.644440
196.0757 1.455933
196.5579 1.737305
197.0400 1.315552
197.5221 9.6161000E-02
198.0042 0.8335880
198.4863 0.7817380
198.9684 0.2604370
199.4506 1.407257
199.9327 2.654999
200.4148 3.909546
200.8969 4.966339
201.3790 5.805237
201.8611 6.628540
202.3433 7.598206
202.8254 8.741028
203.3075 9.676849
203.7896 10.22968
204.2717 10.67609
204.7538 11.98651
205.2360 14.53342
205.7181 16.55994
206.2002 16.75894
206.6823 14.75449
207.1644 13.19864
207.6465 12.32458
208.1287 12.01465
208.6108 11.95114
209.0929 12.17859
209.5750 12.52188
210.0571 13.08148
210.5392 14.12778
211.0214 14.02185
211.5035 12.13406
211.9856 9.168854
212.4677 7.725525
212.9498 8.619843
213.4319 9.882721
213.9140 9.089905
214.3962 6.071472
214.8783 3.962738
215.3604 3.225769
215.8425 3.570099
216.3246 3.943909
216.8067 4.490967
217.2889 4.796906
217.7710 4.399048
218.2531 2.706635
218.7352 2.139282
219.2173 3.385010
219.6994 5.916016
220.1816 7.098328
220.6637 6.353333
221.1458 5.287384
221.6279 5.002014
222.1100 6.067139
222.5921 6.492920
223.0743 5.822815
223.5564 4.595062
224.0385 4.065277
224.5206 4.826019
225.0027 5.506226
225.4848 5.007019
225.9670 2.359314
226.4491 0.9667970
226.9312 1.561096
227.4133 3.585815
227.8954 4.962219
228.3775 5.521240
228.8597 5.648499
229.3418 5.528046
229.8239 5.064301
230.3060 4.567139
230.7881 4.043549
231.2702 3.494446
231.7524 2.935455
232.2345 2.272827
232.7166 1.723389
233.1987 1.412628
233.6808 1.353973
234.1629 1.495117
234.6451 1.898682
235.1272 2.500061
235.6093 3.005920
236.0914 3.245728
236.5735 3.623108
237.0556 4.545166
237.5378 6.936523
238.0199 7.815491
238.5020 6.489838
238.9841 3.529175
239.4662 1.176361
239.9483 0.7777400
240.4305 1.829590
240.9126 1.523865
241.3947 1.179901
241.8768 2.936249
242.3589 3.283569
242.8410 2.606934
243.3232 2.230133
243.8053 2.187378
244.2874 2.436859
244.7695 3.043274
245.2516 4.372467
245.7337 5.212738
246.2159 5.353271
246.6980 4.994598
247.1801 4.764130
247.6622 4.621216
248.1443 4.654816
248.6264 5.013977
249.1086 6.172760
249.5907 6.439270
250.0728 5.214386
250.5549 3.231598
251.0370 2.588501
251.5191 4.075897
252.0013 5.680328
252.4834 6.498535
252.9655 6.141998
253.4476 6.002258
253.9297 6.119690
254.4118 6.447571
254.8940 7.019470
255.3761 8.377594
255.8582 8.930359
256.3403 7.841339
256.8224 4.394470
257.3046 1.844299
257.7867 0.2380980
258.2688 0.5150760
258.7509 0.3310550
259.2330 1.489960
259.7151 2.790558
260.1973 2.429626
260.6794 0.2638240
261.1615 1.514557
261.6436 0.8317570
262.1257 0.8779600
262.6078 2.175781
263.0900 3.058136
263.5721 3.524261
264.0542 3.490112
264.5363 2.873230
265.0184 2.359528
265.5005 2.005127
265.9827 1.692627
266.4648 1.113617
266.9469 1.6663000E-02
267.4290 0.5503540
267.9111 8.1359997E-02
268.3932 1.980255
268.8754 3.283722
269.3575 3.928802
269.8396 4.065430
270.3217 3.620270
270.8038 2.247986
271.2859 1.635010
271.7681 2.513458
272.2502 4.805695
272.7323 6.427795
273.2144 7.221680
273.6965 7.600830
274.1786 7.935303
274.6608 8.207855
275.1429 8.566071
275.6250 9.105133
276.1071 9.777008
276.5892 10.13123
277.0714 10.00934
277.5535 10.00592
278.0356 10.86105
278.5177 12.69287
278.9998 14.09525
279.4819 14.59738
279.9641 14.48819
280.4462 15.14719
280.9283 16.76260
281.4104 18.34003
281.8925 18.79053
282.3746 18.08926
282.8568 18.25864
283.3389 19.91354
283.8210 22.43405
284.3031 23.99976
284.7852 24.53363
285.2673 24.95932
285.7495 25.88580
286.2316 27.29938
286.7137 29.02646
287.1958 31.16061
287.6779 33.47281
288.1600 35.74088
288.6422 37.98785
289.1243 39.41806
289.6064 39.22787
290.0885 37.63300
290.5706 35.83182
291.0527 33.99228
291.5349 31.91455
292.0170 28.90179
292.4991 25.13632
292.9812 22.03589
293.4633 20.62204
293.9454 20.51816
294.4276 20.51880
294.9097 20.49527
295.3918 20.86310
295.8739 22.58261
296.3560 25.32993
296.8381 27.65308
297.3203 28.88242
297.8024 29.13086
298.2845 28.55807
298.7666 27.18933
299.2487 25.80133
299.7308 24.96555
300.2130 24.54758
300.6951 24.20377
301.1772 23.48392
301.6593 22.85431
302.1414 23.21948
302.6235 24.64490
303.1057 26.18570
303.5878 26.94629
304.0699 27.27048
304.5520 27.78131
305.0341 28.79633
305.5162 29.97876
305.9984 31.10712
306.4805 32.14655
306.9626 32.93448
307.4447 32.62872
307.9268 32.22153
308.4089 33.17722
308.8911 36.76199
309.3732 40.42850
309.8553 41.53168
310.3374 40.83649
310.8195 40.95987
311.3016 43.81253
311.7838 47.91290
312.2659 51.98953
312.7480 55.70410
313.2301 59.55423
313.7122 63.88748
314.1943 68.61865
314.6765 73.47446
315.1586 78.05493
315.6407 82.89877
316.1228 88.47934
316.6049 95.04468
317.0870 101.7093
317.5692 107.8338
318.0513 113.7897
318.5334 120.0390
319.0155 127.2546
319.4976 134.3756
319.9797 141.1569
320.4619 147.6013
320.9440 152.6302
321.4261 157.8178
321.9082 160.5862
322.3903 158.4487
322.8724 148.3806
323.3546 135.8730
323.8367 121.3137
324.3188 104.8583
324.8009 89.25815
325.2830 74.72787
325.7651 61.50876
326.2473 49.72513
326.7294 39.02426
327.2115 30.18582
327.6936 23.56116
328.1757 19.00797
328.6578 15.49084
329.1400 13.92899
329.6221 12.61642
330.1042 10.79706
330.5863 7.857910
331.0684 5.393738
331.5505 3.159668
332.0327 1.448975
332.5148 1.081512
332.9969 3.457275
333.4790 5.266815
333.9611 5.153870
334.4432 2.355621
334.9254 0.6874390
335.4075 0.6086430
335.8896 1.271240
336.3717 1.465332
336.8538 0.8619380
337.3359 0.5853270
337.8180 1.075531
338.3001 2.312836
338.7823 3.151428
339.2644 3.560944
339.7465 3.632568
340.2286 3.315704
340.7107 2.501251
341.1928 2.049103
341.6750 2.313080
342.1571 3.015717
342.6392 2.966492
343.1213 2.057770
343.6034 0.9915770
344.0855 0.3892820
344.5677 0.2215580
345.0498 0.5697330
345.5319 2.422302
346.0140 4.430084
346.4961 4.580109
346.9782 2.944092
347.4604 1.259033
347.9425 0.7131650
348.4246 0.9498290
348.9067 0.5923460
349.3888 0.5336300
349.8709 1.748993
350.3531 2.182251
350.8352 1.987579
351.3173 1.740265
351.7994 1.618134
352.2815 1.616913
352.7636 1.851044
353.2458 2.316101
353.7279 2.588379
354.2100 1.941193
354.6921 0.9057310
355.1742 0.4547730
355.6563 1.389130
356.1385 2.484375
356.6206 2.539825
357.1027 1.695923
357.5848 0.6687320
358.0669 0.7793580
358.5490 1.882507
359.0312 1.693817
359.5133 0.6461490
359.9954 2.759918
360.4775 3.054352
360.9596 2.131073
361.4417 1.263428
361.9239 0.8572690
362.4060 0.7338260
362.8881 0.9058230
363.3702 1.470428
363.8523 1.812103
364.3344 1.318115
364.8166 0.6401980
365.2987 0.5220340
365.7808 2.171844
366.2629 3.365509
366.7450 3.217682
367.2271 1.727692
367.7093 0.6808470
368.1914 0.2397770
368.6735 0.3264470
369.1556 0.9078060
369.6377 3.194550
370.1198 4.399445
370.6020 3.513702
371.0841 1.336975
371.5662 0.8539730
372.0483 3.343079
372.5304 5.967621
373.0125 7.548279
373.4947 7.702362
373.9768 7.805054
374.4589 7.617035
374.9410 7.570404
375.4231 8.436096
375.9052 10.51196
376.3874 12.71518
376.8695 14.83203
377.3516 16.88242
377.8337 18.22150
378.3158 18.60229
378.7979 19.02859
379.2801 20.51846
379.7622 23.12476
380.2443 25.99252
380.7264 28.96555
381.2085 32.12823
381.6906 35.86978
382.1728 40.18228
382.6549 44.49841
383.1370 48.06726
383.6191 51.22531
384.1012 55.08441
384.5833 59.74081
385.0655 65.31094
385.5476 71.91251
386.0297 79.56018
386.5118 87.97162
386.9939 96.85913
387.4760 106.5834
387.9582 117.9128
388.4403 130.9667
388.9224 144.6601
389.4045 157.7070
389.8866 170.7995
390.3687 185.0327
390.8509 200.6801
391.3330 217.4534
391.8151 236.1205
392.2972 256.1179
392.7793 275.4487
393.2614 294.6772
393.7436 311.7943
394.2257 326.1060
394.7078 338.1718
395.1899 345.3246
395.6720 346.6436
396.1541 342.4427
396.6363 333.2277
397.1184 317.3499
397.6005 298.1212
398.0826 275.5866
398.5647 249.2498
399.0468 224.2098
399.5290 200.4817
400.0111 178.5257
400.4932 158.6446
400.9753 140.8250
401.4574 125.0528
401.9395 111.4882
402.4217 100.0397
402.9038 90.72653
403.3859 84.48300
403.8680 78.80188
404.3501 72.52927
404.8322 65.46573
405.3144 59.12491
405.7965 53.35159
406.2786 48.35938
406.7607 44.87015
407.2428 43.14355
407.7249 41.51010
408.2071 39.18903
408.6892 36.44965
409.1713 35.42993
409.6534 36.39539
410.1355 37.50995
410.6176 36.74863
411.0998 34.49857
411.5819 33.00592
412.0640 32.85776
412.5461 33.43555
413.0282 33.64148
413.5103 33.59274
413.9925 33.98029
414.4746 35.05786
414.9567 36.88327
415.4388 39.84573
415.9209 44.15503
416.4030 48.19806
416.8852 50.75696
417.3673 52.49246
417.8494 54.24075
418.3315 56.16061
418.8136 58.39853
419.2957 61.39285
419.7779 64.97632
420.2600 68.16031
420.7421 70.78287
421.2242 72.65079
421.7063 73.59454
422.1884 73.78818
422.6706 72.75519
423.1527 70.16248
423.6348 66.28769
424.1169 61.66614
424.5990 55.50824
425.0811 49.43127
425.5633 43.74017
426.0454 38.43097
426.5275 33.62820
427.0096 28.73709
427.4917 24.78159
427.9738 22.76086
428.4560 23.91895
428.9381 24.43951
429.4202 23.85715
429.9023 22.35745
430.3844 20.32483
430.8665 17.43759
431.3487 14.97067
431.8308 13.53577
432.3129 13.15015
432.7950 13.59183
433.2771 15.03467
433.7592 16.88000
434.2414 18.52151
434.7235 19.95401
435.2056 20.67471
435.6877 19.91220
436.1698 18.76736
436.6519 19.91946
437.1341 23.26920
437.6162 26.85104
438.0983 29.21017
438.5804 30.94235
439.0625 32.74142
439.5446 34.59949
440.0268 36.93015
440.5089 40.65662
440.9910 45.07642
441.4731 48.71771
441.9552 50.90622
442.4373 52.29315
442.9195 53.41748
443.4016 54.36853
443.8837 54.52820
444.3658 53.67441
444.8479 51.96902
445.3300 49.47116
445.8122 44.91214
446.2943 41.19873
446.7764 39.36795
447.2585 38.75186
447.7406 37.55469
448.2227 34.93103
448.7049 32.48215
449.1870 30.86514
449.6691 30.29001
450.1512 28.94827
450.6333 26.69189
451.1154 24.11557
451.5976 21.80997
452.0797 19.78903
452.5618 17.82849
453.0439 15.95926
453.5260 14.28326
454.0081 13.07703
454.4903 12.39615
454.9724 11.81161
455.4545 11.18884
455.9366 10.49387
456.4187 9.310272
456.9008 7.540192
457.3830 5.778168
457.8651 4.833466
458.3472 4.503754
458.8293 4.202637
459.3114 3.762665
459.7935 3.216675
460.2757 2.299957
460.7578 1.177795
461.2399 0.6709590
461.7220 2.000458
462.2041 3.793488
462.6862 4.686646
463.1684 4.342651
463.6505 3.750122
464.1326 3.045380
464.6147 2.507202
465.0968 2.491302
465.5789 4.300110
466.0611 5.443481
466.5432 4.762024
467.0253 2.443420
467.5074 0.6988830
467.9895 0.1644590
468.4716 0.4317930
468.9538 0.1662900
469.4359 0.9985960
469.9180 1.897369
470.4001 2.598511
470.8822 2.987396
471.3643 2.828491
471.8465 1.925995
472.3286 0.9709780
472.8107 0.1522520
473.2928 1.209076
473.7749 0.3564150
474.2570 2.841614
474.7392 5.621796
475.2213 5.442902
475.7034 2.773590
476.1855 0.7904970
476.6676 0.1523740
477.1497 0.4335020
477.6319 0.3511050
478.1140 1.4954000E-02
478.5961 0.3995060
479.0782 0.6673580
479.5603 0.9087830
480.0424 1.401947
480.5246 2.073975
481.0067 2.325989
481.4888 1.226959
481.9709 0.1526490
482.4530 0.7934270
482.9352 0.1977230
483.4173 0.3792720
483.8994 0.2754820
484.3815 0.1252140
484.8636 0.2369690
485.3457 8.9720003E-03
485.8279 0.6162720
486.3100 2.015930
486.7921 4.194855
487.2742 5.109894
487.7563 3.795319
488.2384 2.217194
488.7206 1.551636
489.2027 2.386871
489.6848 2.488861
490.1669 1.474396
490.6490 0.1127620
491.1311 0.2793880
491.6133 0.4562680
492.0954 1.060211
492.5775 0.9950560
493.0596 0.5407410
493.5417 1.056946
494.0238 2.561523
494.5060 3.595062
494.9881 2.434784
495.4702 3.8149999E-03
495.9523 1.368866
496.4344 1.219971
496.9165 0.6036680
497.3987 0.7047730
497.8808 1.074585
498.3629 0.8627930
498.8450 1.670532
499.3271 3.735870
499.8092 2.702148
500.2914 0.7928160
500.7735 3.154175
501.2556 2.203247
501.7377 0.3118900
502.2198 1.265350
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