#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:28:47 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1130 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100052.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_8100052
loop_
_publ_author_name
'Newnham, R. E.'
'de Haan, Y. M.'
_publ_section_title
;
 Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures Locality:
 synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              235
_journal_page_last               237
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        R110119
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7589
_cell_length_b                   4.7589
_cell_length_c                   12.991
_cell_volume                     254.792
_exptl_crystal_density_diffrn    3.987
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9008081
_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            R110119.rod
_rod_data_source.block           3500000
_rod_database.code               8100052
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 9008081 COD http://www.crystallography.net/cod/9008081.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
141.7437 0.0000000E+00
142.2258 5.1704001E-02
142.7079 4.7111999E-02
143.1900 3.6277998E-02
143.6721 0.2463000
144.1542 0.7701030
144.6364 1.434860
145.1185 1.846561
145.6006 1.895386
146.0827 1.753372
146.5648 1.162121
147.0469 0.6221660
147.5291 0.4663850
148.0112 0.4205510
148.4933 0.6931610
148.9754 1.170830
149.4575 2.297871
149.9396 2.962963
150.4218 2.943695
150.9039 2.522030
151.3860 1.887905
151.8681 1.071537
152.3502 0.1453250
152.8323 0.1426050
153.3145 1.034767
153.7966 2.025837
154.2787 2.649010
154.7608 2.863487
155.2429 2.655415
155.7250 1.981979
156.2072 0.7878270
156.6893 8.8234000E-02
157.1714 3.1321999E-02
157.6535 0.6353150
158.1356 1.407448
158.6177 2.293938
159.0999 3.050186
159.5820 3.288193
160.0641 2.900520
160.5462 2.714081
161.0283 2.956158
161.5104 3.329098
161.9926 3.384796
162.4747 3.141621
162.9568 2.767956
163.4389 2.190693
163.9210 1.429295
164.4031 0.9402120
164.8853 1.009651
165.3674 1.400673
165.8495 1.584839
166.3316 1.468292
166.8137 1.364624
167.2958 1.587402
167.7780 2.090240
168.2601 2.552216
168.7422 2.669323
169.2243 2.579166
169.7064 2.488758
170.1885 2.395638
170.6707 2.429340
171.1528 2.635311
171.6349 2.933735
172.1170 2.929596
172.5991 1.952358
173.0812 0.1008150
173.5634 1.196327
174.0455 0.2921490
174.5276 0.8674160
175.0097 1.754673
175.4918 2.304382
175.9739 2.625782
176.4561 2.811001
176.9382 2.824974
177.4203 2.767380
177.9024 2.657307
178.3845 2.473198
178.8666 2.206909
179.3488 1.856823
179.8309 1.433636
180.3130 0.9472920
180.7951 0.2082630
181.2772 0.1246950
181.7593 0.2999690
182.2415 0.8565900
182.7236 1.037163
183.2057 0.7394330
183.6878 0.2737080
184.1699 0.1088490
184.6520 0.4264560
185.1342 0.7476270
185.6163 1.170650
186.0984 1.543282
186.5805 1.672211
187.0626 1.494175
187.5447 1.134304
188.0269 0.7313800
188.5090 0.2035560
188.9911 5.7376999E-02
189.4732 0.2834550
189.9553 0.9159970
190.4374 1.262962
190.9196 1.096554
191.4017 0.7381860
191.8838 0.6961060
192.3659 0.9979290
192.8480 1.173599
193.3301 0.7682910
193.8123 2.0940001E-03
194.2944 0.2504200
194.7765 0.5288430
195.2586 1.540993
195.7407 1.935875
196.2228 1.697365
196.7050 1.301937
197.1871 1.110863
197.6692 1.112194
198.1513 0.9659190
198.6334 0.3760410
199.1155 0.1803740
199.5977 0.3231010
200.0798 8.3897002E-02
200.5619 0.3080180
201.0440 0.6866490
201.5261 1.075645
202.0082 1.308956
202.4904 1.134907
202.9725 0.9605670
203.4546 1.083179
203.9367 1.495762
204.4188 1.879086
204.9009 1.692947
205.3831 0.5209580
205.8652 7.9227000E-02
206.3473 1.143570
206.8294 2.354927
207.3115 2.938320
207.7936 2.770226
208.2758 2.222366
208.7579 1.791687
209.2400 1.502552
209.7221 1.296936
210.2042 1.040417
210.6863 0.9214170
211.1685 1.287491
211.6506 2.100475
212.1327 2.885189
212.6148 2.915142
213.0969 1.578575
213.5790 0.7526820
214.0612 0.7389180
214.5433 1.008705
215.0254 1.118179
215.5075 0.9598270
215.9896 0.7729260
216.4717 0.9164960
216.9539 1.634434
217.4360 2.094429
217.9181 2.113640
218.4002 1.954765
218.8823 1.824226
219.3644 1.769127
219.8466 1.837303
220.3287 2.187744
220.8108 2.931076
221.2929 3.327209
221.7750 2.955872
222.2571 2.300976
222.7393 2.000084
223.2214 2.216511
223.7035 2.611412
224.1856 2.781734
224.6677 2.748505
225.1498 2.686119
225.6320 2.716576
226.1141 2.726784
226.5962 2.442505
227.0783 1.700016
227.5604 1.013397
228.0425 0.9579540
228.5247 1.406761
229.0068 1.955997
229.4889 2.565758
229.9710 3.155842
230.4531 3.557774
230.9352 3.736851
231.4174 3.621624
231.8995 3.153744
232.3816 2.466644
232.8637 1.960674
233.3458 2.021183
233.8279 2.437286
234.3101 2.448242
234.7922 1.702015
235.2743 1.130444
235.7564 1.417713
236.2385 2.237827
236.7206 2.933422
237.2028 3.049805
237.6849 2.738125
238.1670 2.690689
238.6491 3.219547
239.1312 3.512508
239.6133 3.125767
240.0955 2.352440
240.5776 1.675655
241.0597 1.345329
241.5418 1.342815
242.0239 1.644955
242.5060 2.634575
242.9882 3.420605
243.4703 3.754307
243.9524 3.740871
244.4345 3.507431
244.9166 3.088776
245.3987 2.547634
245.8809 2.197643
246.3630 2.189735
246.8451 2.185032
247.3272 2.209034
247.8093 2.189743
248.2914 2.004848
248.7736 1.572361
249.2557 0.9865910
249.7378 0.6456070
250.2199 0.7247660
250.7020 0.8614080
251.1841 1.059326
251.6663 1.258831
252.1484 1.404137
252.6305 1.511467
253.1126 1.562256
253.5947 1.549343
254.0768 1.429085
254.5590 1.283024
255.0411 1.016418
255.5232 0.7667810
256.0053 0.7139430
256.4874 0.9329830
256.9695 1.297699
257.4517 1.504715
257.9338 1.488361
258.4159 1.435848
258.8980 1.276131
259.3801 1.109440
259.8622 1.080612
260.3444 1.214340
260.8265 1.387932
261.3086 1.368912
261.7907 0.9129980
262.2728 0.7135240
262.7549 1.010281
263.2371 1.447098
263.7192 1.658115
264.2013 1.562271
264.6834 1.346283
265.1655 1.298859
265.6476 1.565926
266.1298 1.643692
266.6119 1.373856
267.0940 0.9934880
267.5761 0.7243880
268.0582 0.6233020
268.5403 0.5700070
269.0225 0.4240950
269.5046 0.1798480
269.9867 1.5953001E-02
270.4688 1.0273000E-02
270.9509 4.3910999E-02
271.4330 5.4035001E-02
271.9152 0.2815130
272.3973 0.4017980
272.8794 0.1203500
273.3615 0.6080400
273.8436 1.084866
274.3257 1.149734
274.8079 1.059368
275.2900 0.9132230
275.7721 0.7324600
276.2542 0.7122150
276.7363 1.115990
277.2184 1.859676
277.7006 2.195541
278.1827 1.710854
278.6648 1.151394
279.1469 1.020512
279.6290 1.291965
280.1111 1.729530
280.5933 2.260193
281.0754 2.813107
281.5575 3.220360
282.0396 3.592915
282.5217 3.748905
283.0038 3.331135
283.4860 2.490086
283.9681 2.054222
284.4502 2.559551
284.9323 3.572933
285.4144 4.156364
285.8965 4.206188
286.3787 4.122429
286.8608 4.086418
287.3429 4.085384
287.8250 4.059734
288.3071 3.933620
288.7892 3.860546
289.2714 4.112335
289.7535 4.734985
290.2356 5.262894
290.7177 5.451588
291.1998 5.380737
291.6819 5.273735
292.1641 5.204918
292.6462 5.050861
293.1283 4.554115
293.6104 3.770325
294.0925 3.207008
294.5746 3.098408
295.0568 3.339699
295.5389 3.785538
296.0210 4.493496
296.5031 5.183891
296.9852 5.592999
297.4673 5.793304
297.9495 5.949501
298.4316 6.141403
298.9137 6.306988
299.3958 6.340496
299.8779 6.222698
300.3600 6.061989
300.8422 5.918442
301.3243 5.781242
301.8064 5.627186
302.2885 5.394459
302.7706 5.195492
303.2527 5.215729
303.7349 5.476269
304.2170 5.654369
304.6991 5.584503
305.1812 5.341309
305.6633 4.998657
306.1454 4.507298
306.6276 4.061874
307.1097 3.917492
307.5918 4.050739
308.0739 4.002735
308.5560 3.473541
309.0381 2.832035
309.5203 2.506886
310.0024 2.529591
310.4845 2.631844
310.9666 2.677425
311.4487 2.662510
311.9308 2.576725
312.4130 2.450607
312.8951 2.192539
313.3772 1.571453
313.8593 0.6688840
314.3414 7.6210000E-02
314.8235 0.3930210
315.3057 1.223610
315.7878 1.482750
316.2699 0.8939670
316.7520 0.1815910
317.2341 0.1895560
317.7162 0.2846640
318.1984 0.1940570
318.6805 0.2031100
319.1626 0.6981430
319.6447 0.9441340
320.1268 0.9050450
320.6089 0.8049550
321.0911 0.6606900
321.5732 0.5642430
322.0553 0.7027590
322.5374 1.276073
323.0195 1.826733
323.5016 1.814396
323.9838 1.233978
324.4659 0.6323470
324.9480 9.5908999E-02
325.4301 0.2564700
325.9122 0.2278100
326.3943 0.2707060
326.8765 0.7339100
327.3586 0.7158810
327.8407 0.3101460
328.3228 5.8449000E-02
328.8049 0.1706200
329.2870 0.3506810
329.7692 0.2818790
330.2513 1.0777000E-02
330.7334 0.3220290
331.2155 0.6354260
331.6976 0.9154220
332.1797 1.057840
332.6619 1.036480
333.1440 0.9223270
333.6261 0.6747610
334.1082 0.3680340
334.5903 0.1985780
335.0724 0.3239020
335.5546 0.5713710
336.0367 0.7344990
336.5188 0.8124980
337.0009 0.8224960
337.4830 0.8140010
337.9651 0.7178060
338.4473 0.3777390
338.9294 0.4219360
339.4115 1.151310
339.8936 1.288227
340.3757 0.9115980
340.8578 0.6119230
341.3400 0.6257250
341.8221 0.8058470
342.3042 0.9383200
342.7863 1.034363
343.2684 1.040382
343.7505 0.7466160
344.2327 0.3491060
344.7148 0.4284020
345.1969 1.264477
345.6790 2.171585
346.1611 2.165562
346.6432 1.406357
347.1254 0.9253010
347.6075 1.217640
348.0896 1.820366
348.5717 2.116077
349.0538 2.041847
349.5359 2.037853
350.0181 2.540688
350.5002 3.397511
350.9823 3.903313
351.4644 3.777096
351.9465 3.495449
352.4286 3.298210
352.9108 3.196358
353.3929 3.263401
353.8750 3.598370
354.3571 4.062382
354.8392 4.281113
355.3214 4.095974
355.8035 4.051964
356.2856 4.588440
356.7677 5.352711
357.2498 5.657310
357.7319 5.267403
358.2141 4.594864
358.6962 4.130474
359.1783 3.850582
359.6604 3.917706
360.1425 4.580311
360.6246 5.457745
361.1068 6.280384
361.5889 7.002281
362.0710 7.503548
362.5531 7.618404
363.0352 7.359211
363.5173 7.391998
363.9995 7.886795
364.4816 8.473728
364.9637 8.872761
365.4458 9.215080
365.9279 9.904987
366.4100 11.20223
366.8922 12.86937
367.3743 14.09699
367.8564 14.15488
368.3385 14.83146
368.8206 16.48788
369.3027 18.82540
369.7849 21.56926
370.2670 24.61722
370.7491 27.88991
371.2312 31.21118
371.7133 34.25937
372.1954 38.43551
372.6776 43.70352
373.1597 50.01822
373.6418 57.16476
374.1239 65.28864
374.6060 74.88294
375.0881 86.46649
375.5703 99.99550
376.0524 114.7464
376.5345 133.0131
377.0166 149.9628
377.4987 167.7179
377.9808 182.6915
378.4630 190.2888
378.9451 188.3967
379.4272 177.8769
379.9093 160.1060
380.3914 128.2287
380.8735 100.2260
381.3557 75.74290
381.8378 55.56348
382.3199 40.83718
382.8020 31.26611
383.2841 24.98220
383.7662 20.24361
384.2484 17.20098
384.7305 14.68865
385.2126 12.96233
385.6947 11.53792
386.1768 10.18672
386.6589 9.043264
387.1411 8.426823
387.6232 8.616114
388.1053 9.326279
388.5874 9.551371
389.0695 9.150555
389.5516 8.499317
390.0338 7.388416
390.5159 6.282558
390.9980 5.658894
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391.9622 5.907501
392.4443 5.981598
392.9265 5.827118
393.4086 5.733822
393.8907 5.771587
394.3728 5.870422
394.8549 5.941708
395.3370 6.024506
395.8192 6.267776
396.3013 6.808105
396.7834 7.599689
397.2655 8.492870
397.7476 9.573990
398.2297 10.52212
398.7119 10.88296
399.1940 11.09716
399.6761 11.78375
400.1582 13.22322
400.6403 14.89361
401.1224 16.22970
401.6046 17.26749
402.0867 18.41318
402.5688 19.66179
403.0509 21.24391
403.5330 23.37454
404.0151 26.03177
404.4973 29.06471
404.9794 32.34554
405.4615 36.01627
405.9436 40.21520
406.4257 44.89466
406.9078 50.48949
407.3900 57.31820
407.8721 65.42121
408.3542 74.71625
408.8363 84.55132
409.3184 96.13631
409.8005 109.7209
410.2827 125.5687
410.7648 144.1306
411.2469 165.2991
411.7290 189.7972
412.2111 219.4147
412.6932 252.8540
413.1754 293.0642
413.6575 340.6493
414.1396 395.1074
414.6217 459.7842
415.1038 533.8491
415.5859 608.7876
416.0681 680.1859
416.5502 750.7596
417.0323 777.7189
417.5144 758.1676
417.9965 706.4894
418.4786 609.6583
418.9608 487.1315
419.4429 369.5457
419.9250 272.2179
420.4071 194.6697
420.8892 136.0311
421.3713 105.5531
421.8535 82.35121
422.3356 67.55630
422.8177 57.72479
423.2998 51.16964
423.7819 47.13367
424.2640 44.86135
424.7462 43.68868
425.2283 43.63032
425.7104 44.20008
426.1925 45.55854
426.6746 47.44643
427.1567 50.07123
427.6389 53.10637
428.1210 56.26884
428.6031 59.56556
429.0852 62.45701
429.5673 64.01060
430.0494 64.40459
430.5316 62.86396
431.0137 57.82403
431.4958 51.63711
431.9779 45.39896
432.4600 39.29877
432.9421 33.60849
433.4243 28.36364
433.9064 23.66664
434.3885 20.02775
434.8706 17.72783
435.3527 15.86008
435.8348 13.81343
436.3170 11.79375
436.7991 10.17474
437.2812 9.144266
437.7633 8.441307
438.2454 7.903820
438.7275 7.451830
439.2097 6.898924
439.6918 6.163084
440.1739 5.431927
440.6560 4.984844
441.1381 4.792480
441.6202 4.499773
442.1024 3.842529
442.5845 3.151089
443.0666 2.875166
443.5487 2.996202
444.0308 3.193243
444.5129 3.245192
444.9951 3.182699
445.4772 3.276352
445.9593 3.474764
446.4414 3.860180
446.9235 4.698645
447.4056 5.669016
447.8878 6.328461
448.3699 6.523048
448.8520 6.335440
449.3341 5.814480
449.8162 4.732256
450.2983 3.856823
450.7805 3.256300
451.2626 2.784964
451.7447 2.400194
452.2268 2.023462
452.7089 1.605032
453.1910 1.070307
453.6732 0.5014500
454.1553 0.2836340
454.6374 0.7364060
455.1195 1.000254
455.6016 0.8335610
456.0837 0.5152590
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