#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:08 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1102 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100047.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_8100047
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        R060020
_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            R060020.rod
_rod_data_source.block           3500000
_rod_database.code               8100047
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
107.5272 0.0000000E+00
108.0093 0.1914810
108.4915 0.2062190
108.9736 9.1089997E-03
109.4557 4.6980001E-02
109.9378 0.2903210
110.4199 0.4349560
110.9020 0.4085080
111.3842 0.3928510
111.8663 0.4302980
112.3484 0.4731730
112.8305 0.5524440
113.3126 0.7105600
113.7947 0.9631270
114.2769 1.007326
114.7590 0.6441670
115.2411 0.3143900
115.7232 0.1734050
116.2053 0.2325780
116.6874 0.3941250
117.1695 0.5767080
117.6517 0.8234480
118.1338 0.9024350
118.6159 0.6314850
119.0980 0.3010460
119.5801 0.1783850
120.0622 0.3925910
120.5444 0.6585220
121.0265 0.7652070
121.5086 0.7400550
121.9907 0.7448670
122.4728 0.9347780
122.9549 1.206091
123.4371 1.279430
123.9192 1.002163
124.4013 0.6352830
124.8834 0.4581760
125.3655 0.4778310
125.8476 0.5788140
126.3298 0.7146220
126.8119 0.8975510
127.2940 1.007233
127.7761 0.8749520
128.2582 0.7409970
128.7404 0.8026050
129.2225 1.087719
129.7046 1.410774
130.1867 1.472736
130.6688 1.271681
131.1509 0.9225580
131.6331 0.5024360
132.1152 0.1432340
132.5973 3.0935001E-02
133.0794 0.1353590
133.5615 0.4822370
134.0436 0.6743370
134.5258 0.6067410
135.0079 0.5692200
135.4900 0.6531200
135.9721 0.8102580
136.4542 1.018966
136.9363 1.158432
137.4184 1.117633
137.9006 1.092323
138.3827 1.222533
138.8648 1.305572
139.3469 1.205379
139.8290 0.9387960
140.3111 0.6631310
140.7933 0.4980430
141.2754 0.4395220
141.7575 0.3848710
142.2396 0.3176110
142.7217 0.2571680
143.2038 0.2262460
143.6860 0.2292250
144.1681 0.2485790
144.6502 0.2763290
145.1323 0.3099320
145.6144 0.3452010
146.0965 0.3671530
146.5787 0.3876390
147.0608 0.4611340
147.5429 0.6724740
148.0250 0.8130810
148.5071 0.7235770
148.9892 0.4675940
149.4714 0.2245140
149.9535 0.1397400
150.4356 0.2239130
150.9177 0.3237550
151.3998 0.5993750
151.8819 0.7562180
152.3641 0.5714580
152.8462 0.1022880
153.3283 0.3670730
153.8104 0.4841960
154.2925 6.4939000E-02
154.7746 0.2005130
155.2568 0.2552930
155.7389 0.2348930
156.2210 0.2250310
156.7031 0.2419900
157.1852 0.2393830
157.6673 0.1373350
158.1495 0.2002720
158.6316 0.3985860
159.1137 0.3797480
159.5958 0.2619510
160.0779 0.1585110
160.5600 0.1073780
161.0422 8.1078999E-02
161.5243 1.8142000E-02
162.0064 0.1092300
162.4885 0.2040780
162.9706 0.2661850
163.4527 0.2807600
163.9349 0.2001540
164.4170 2.6853999E-02
164.8991 0.3095270
165.3812 0.4712800
165.8633 0.5517440
166.3454 0.5299510
166.8276 0.3337790
167.3097 1.4542000E-02
167.7918 0.3204780
168.2739 0.5264740
168.7560 0.6278480
169.2381 0.6069650
169.7203 0.4276320
170.2024 0.2343070
170.6845 0.1693020
171.1666 0.2440370
171.6487 0.3826120
172.1308 0.6975440
172.6130 0.9979790
173.0951 1.110969
173.5772 0.9706340
174.0593 0.7004640
174.5414 0.5019680
175.0235 0.3732190
175.5057 0.3342150
175.9878 0.4359560
176.4699 0.5893150
176.9520 0.7252020
177.4341 0.8153350
177.9162 0.8512340
178.3984 0.7945570
178.8805 0.4710080
179.3626 0.2805260
179.8447 0.3179820
180.3268 0.4963280
180.8089 0.7276470
181.2911 0.9680760
181.7732 1.200978
182.2553 1.327769
182.7374 1.276742
183.2195 1.200467
183.7016 1.053936
184.1838 0.9055770
184.6659 0.8861440
185.1480 1.091475
185.6301 1.491475
186.1122 1.770105
186.5943 1.924760
187.0765 1.995853
187.5586 1.945046
188.0407 1.808599
188.5228 1.691477
189.0049 1.653023
189.4870 1.701127
189.9692 1.821011
190.4513 2.125710
190.9334 2.412465
191.4155 2.528861
191.8976 2.476404
192.3797 2.363882
192.8619 2.221625
193.3440 2.080521
193.8261 2.018801
194.3082 2.086673
194.7903 2.208708
195.2724 2.273666
195.7546 2.257671
196.2367 2.342677
196.7188 2.862734
197.2009 3.519407
197.6830 3.874853
198.1651 3.607573
198.6473 3.097731
199.1294 3.086868
199.6115 3.843555
200.0936 4.421026
200.5757 4.192152
201.0578 3.587116
201.5400 3.135256
202.0221 3.109226
202.5042 3.379408
202.9863 3.564623
203.4684 3.594076
203.9505 3.649906
204.4327 3.833761
204.9148 4.067556
205.3969 4.254158
205.8790 4.348982
206.3611 4.345377
206.8432 4.201782
207.3254 3.675371
207.8075 3.300697
208.2896 3.245218
208.7717 3.403543
209.2538 3.636786
209.7359 3.867783
210.2181 4.086065
210.7002 4.194525
211.1823 4.035807
211.6644 3.895344
212.1465 3.913729
212.6286 3.997997
213.1108 3.992992
213.5929 3.788908
214.0750 3.406818
214.5571 3.164124
215.0392 3.168159
215.5213 3.179827
216.0035 3.100052
216.4856 2.964758
216.9677 2.885759
217.4498 2.951508
217.9319 3.139210
218.4140 3.137653
218.8961 2.759453
219.3783 2.426725
219.8604 2.318686
220.3425 2.392181
220.8246 2.504704
221.3067 2.574488
221.7888 2.603157
222.2710 2.619259
222.7531 2.616266
223.2352 2.587383
223.7173 2.511009
224.1994 2.406107
224.6815 2.344645
225.1637 2.377600
225.6458 2.470663
226.1279 2.537878
226.6100 2.576607
227.0921 2.591995
227.5742 2.579245
228.0564 2.539810
228.5385 2.498541
229.0206 2.478933
229.5027 2.461367
229.9848 2.400795
230.4669 2.252544
230.9491 2.116268
231.4312 2.094961
231.9133 2.189285
232.3954 2.278931
232.8775 2.311314
233.3596 2.303265
233.8418 2.272701
234.3239 2.210258
234.8060 2.149044
235.2881 2.143990
235.7702 2.206514
236.2523 2.214388
236.7345 1.967138
237.2166 1.725431
237.6987 1.759289
238.1808 2.159037
238.6629 2.680904
239.1451 3.076349
239.6272 3.360439
240.1093 3.442991
240.5914 3.071323
241.0735 2.607513
241.5556 2.283472
242.0378 2.152710
242.5199 2.162811
243.0020 2.300501
243.4841 2.642073
243.9662 2.818731
244.4483 2.593267
244.9305 2.294958
245.4126 2.140068
245.8947 2.174202
246.3768 2.277914
246.8589 2.282564
247.3410 2.143482
247.8232 2.044882
248.3053 1.999170
248.7874 1.998034
249.2695 2.052996
249.7516 2.159546
250.2337 2.285091
250.7159 2.391848
251.1980 2.486662
251.6801 2.540895
252.1622 2.551163
252.6443 2.529638
253.1264 2.469650
253.6086 2.377558
254.0907 2.278711
254.5728 2.208225
255.0549 2.184359
255.5370 2.131163
256.0191 2.006075
256.5013 1.890871
256.9834 1.838530
257.4655 1.847218
257.9476 1.874067
258.4297 1.867603
258.9118 1.804367
259.3940 1.807829
259.8761 1.956142
260.3582 2.089289
260.8403 2.103579
261.3224 2.013544
261.8045 1.912888
262.2867 1.889025
262.7688 1.951691
263.2509 2.031471
263.7330 2.151617
264.2151 2.264271
264.6972 2.361916
265.1794 2.435171
265.6615 2.466185
266.1436 2.438210
266.6257 2.349125
267.1078 2.236439
267.5899 1.995571
268.0721 1.834696
268.5542 1.930971
269.0363 2.198706
269.5184 2.385244
270.0005 2.301676
270.4826 1.973843
270.9648 1.737301
271.4469 1.599375
271.9290 1.528059
272.4111 1.523163
272.8932 1.585529
273.3753 1.721895
273.8575 1.956146
274.3396 2.236658
274.8217 2.267065
275.3038 1.768677
275.7859 1.397610
276.2680 1.468344
276.7502 1.802866
277.2323 2.019229
277.7144 1.921314
278.1965 1.630844
278.6786 1.513741
279.1607 1.623392
279.6429 1.743676
280.1250 1.862880
280.6071 1.947364
281.0892 1.905993
281.5713 1.680343
282.0534 1.401695
282.5356 1.383497
283.0177 1.741044
283.4998 1.940113
283.9819 1.647243
284.4640 1.149630
284.9461 0.9106030
285.4283 1.075895
285.9104 1.443276
286.3925 1.725108
286.8746 1.935583
287.3567 2.033413
287.8388 1.902909
288.3210 1.708999
288.8031 1.710284
289.2852 1.972444
289.7673 2.235928
290.2494 2.146609
290.7315 1.730335
291.2137 1.516864
291.6958 1.856179
292.1779 2.291325
292.6600 2.238394
293.1421 1.630164
293.6242 1.018041
294.1064 0.9003550
294.5885 1.186741
295.0706 1.353751
295.5527 1.250771
296.0348 1.079430
296.5169 1.018698
296.9991 1.068277
297.4812 1.115285
297.9633 1.049081
298.4454 0.9422370
298.9275 1.009090
299.4096 1.445078
299.8918 1.844434
300.3739 1.848288
300.8560 1.513679
301.3381 1.246532
301.8202 1.248204
302.3023 1.418721
302.7845 1.544243
303.2666 1.632809
303.7487 1.659068
304.2308 1.585779
304.7129 1.433307
305.1950 1.253745
305.6772 1.018964
306.1593 0.8329660
306.6414 0.8742780
307.1235 1.164740
307.6056 1.423742
308.0877 1.531814
308.5699 1.521194
309.0520 1.453682
309.5341 1.324789
310.0162 1.183445
310.4983 1.089468
310.9804 1.034817
311.4626 0.9788130
311.9447 0.9166950
312.4268 0.8426930
312.9089 0.7324970
313.3910 0.5716260
313.8731 0.4341490
314.3553 0.4070330
314.8374 0.4577510
315.3195 0.4844090
315.8016 0.4441320
316.2837 0.3840940
316.7658 0.3646850
317.2480 0.3885240
317.7301 0.3919790
318.2122 0.3086910
318.6943 0.1851370
319.1764 0.1309910
319.6585 0.1641500
320.1407 0.2563230
320.6228 0.4393470
321.1049 0.6916680
321.5870 0.8434060
322.0691 0.7707320
322.5512 0.5980190
323.0334 0.5624700
323.5155 0.7058800
323.9976 0.8486790
324.4797 0.9041030
324.9618 0.8846450
325.4439 0.8259820
325.9261 0.7340560
326.4082 0.6117460
326.8903 0.4177930
327.3724 0.1464700
327.8545 6.3350000E-03
328.3366 0.1631700
328.8188 0.4589630
329.3009 0.5212580
329.7830 0.2578900
330.2651 5.7372998E-02
330.7472 0.1291450
331.2293 6.7030001E-03
331.7115 4.2482998E-02
332.1936 9.3135998E-02
332.6757 0.2869660
333.1578 0.4134570
333.6399 0.4664890
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334.6042 0.4673710
335.0863 0.4349650
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336.0505 0.5429490
336.5326 0.6123770
337.0147 0.4869320
337.4969 0.2198340
337.9790 6.6454999E-02
338.4611 0.1755350
338.9432 0.4333980
339.4253 0.5779120
339.9074 0.5622340
340.3896 0.5686140
340.8717 0.7852540
341.3538 1.060556
341.8359 1.032438
342.3180 0.5431320
342.8001 7.1303003E-02
343.2822 0.2912280
343.7643 8.0231003E-02
344.2465 3.3500999E-02
344.7286 0.1450700
345.2107 0.4199180
345.6928 0.5706190
346.1749 0.5674270
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347.6213 0.4371180
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348.5855 0.6880570
349.0676 0.9204670
349.5497 1.149687
350.0319 1.366746
350.5140 1.538778
350.9961 1.632912
351.4782 1.675092
351.9603 1.788252
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352.9246 2.303329
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355.8173 2.278975
356.2994 2.651009
356.7815 2.955181
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357.7457 3.090714
358.2278 3.449646
358.7100 4.127639
359.1921 4.863573
359.6742 5.364659
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360.6384 5.830085
361.1205 6.157624
361.6027 6.463665
362.0848 6.694095
362.5669 6.853569
363.0490 6.956110
363.5311 6.991966
364.0132 6.988276
364.4954 7.176880
364.9775 7.825535
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365.9417 8.421904
366.4238 8.350592
366.9059 8.535638
367.3881 9.144289
367.8702 9.949017
368.3523 10.48038
368.8344 10.52423
369.3165 10.62355
369.7986 10.66121
370.2808 10.82871
370.7629 11.32881
371.2450 12.15085
371.7271 13.07613
372.2092 13.85528
372.6913 14.45323
373.1735 15.17036
373.6556 15.67819
374.1377 16.61935
374.6198 18.33286
375.1019 20.66589
375.5840 23.27391
376.0662 25.95017
376.5483 28.70474
377.0304 31.61224
377.5125 35.63059
377.9946 38.30985
378.4767 39.50305
378.9589 39.17487
379.4410 36.97474
379.9231 32.85097
380.4052 27.76594
380.8873 22.96688
381.3694 18.24680
381.8516 14.57442
382.3337 12.52594
382.8158 11.12548
383.2979 10.07009
383.7800 9.257738
384.2621 8.571522
384.7443 7.908115
385.2264 7.277296
385.7085 6.789110
386.1906 6.530977
386.6727 6.320183
387.1548 6.027899
387.6370 5.739510
388.1191 5.602577
388.6012 5.728540
389.0833 5.970249
389.5654 6.017298
390.0475 5.806334
390.5297 5.622772
391.0118 5.537720
391.4939 5.546368
391.9760 5.714783
392.4581 6.057798
392.9402 6.320383
393.4224 6.125498
393.9045 5.586397
394.3866 5.485308
394.8687 6.104563
395.3508 6.940067
395.8329 7.512428
396.3151 7.910160
396.7972 8.486511
397.2793 9.420450
397.7614 10.61065
398.2435 12.01424
398.7256 13.63593
399.2078 15.08889
399.6899 16.24397
400.1720 17.05961
400.6541 17.44678
401.1362 17.13365
401.6183 16.78302
402.1005 16.78581
402.5826 17.06865
403.0647 17.33568
403.5468 17.43497
404.0289 17.65943
404.5110 18.53776
404.9932 20.10710
405.4753 21.64091
405.9574 22.93029
406.4395 24.16998
406.9216 25.55665
407.4037 27.10409
407.8859 28.64711
408.3680 29.97232
408.8501 31.15372
409.3322 32.97107
409.8143 35.41163
410.2964 38.39290
410.7786 41.87344
411.2607 45.88476
411.7428 50.39430
412.2249 55.34771
412.7070 61.08778
413.1891 68.27593
413.6713 77.01333
414.1534 87.29921
414.6355 100.2027
415.1176 113.7954
415.5997 128.8099
416.0818 143.8658
416.5640 154.5716
417.0461 157.0536
417.5282 151.3066
418.0103 139.5158
418.4924 114.9344
418.9745 91.48603
419.4567 70.86973
419.9388 53.58449
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