#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:28:33 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1126 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100049.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_8100049
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        R110098
_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            R110098.rod
_rod_data_source.block           3500000
_rod_database.code               8100049
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
103.6564 0.0000000E+00
104.1385 0.5757750
104.6207 1.502075
105.1028 2.584778
105.5849 3.555939
106.0670 4.227997
106.5491 4.718750
107.0313 5.117035
107.5134 5.352325
107.9955 5.298737
108.4776 4.879852
108.9597 2.997864
109.4418 1.314728
109.9240 0.9831540
110.4061 1.159088
110.8882 2.005768
111.3703 3.497742
111.8524 3.033722
112.3345 2.423615
112.8167 1.249329
113.2988 0.5624690
113.7809 0.8534550
114.2630 1.718048
114.7451 2.774689
115.2272 3.296600
115.7094 3.492340
116.1915 3.511078
116.6736 3.606995
117.1557 3.315369
117.6378 1.727356
118.1199 0.6399540
118.6021 1.968933
119.0842 0.3273620
119.5663 4.526337
120.0484 7.121307
120.5305 5.793060
121.0126 3.282990
121.4948 1.871765
121.9769 1.870636
122.4590 2.545959
122.9411 3.760040
123.4232 5.260803
123.9053 5.845001
124.3875 4.227722
124.8696 1.320679
125.3517 0.2398380
125.8338 0.4765320
126.3159 1.788452
126.7980 2.562897
127.2802 2.737183
127.7623 2.767548
128.2444 2.998932
128.7265 3.457184
129.2086 3.843384
129.6907 3.884094
130.1729 4.036804
130.6550 4.807465
131.1371 6.123749
131.6192 7.255127
132.1013 7.041870
132.5834 4.335175
133.0656 2.534821
133.5477 2.074249
134.0298 2.140900
134.5119 2.096741
134.9940 1.741333
135.4761 1.316681
135.9583 1.431305
136.4404 2.685852
136.9225 3.767334
137.4046 4.717773
137.8867 5.439423
138.3688 5.713013
138.8510 5.380768
139.3331 4.658081
139.8152 4.274292
140.2973 4.569275
140.7794 4.646637
141.2615 3.854919
141.7437 2.410645
142.2258 1.281860
142.7079 1.048767
143.1900 1.472046
143.6721 1.838257
144.1542 1.841095
144.6364 2.129669
145.1185 3.883118
145.6006 7.518951
146.0827 10.06223
146.5648 8.912292
147.0469 6.170959
147.5291 3.845764
148.0112 2.713287
148.4933 2.326965
148.9754 1.588165
149.4575 0.1262820
149.9396 1.044250
150.4218 0.3416140
150.9039 1.279938
151.3860 2.957031
151.8681 4.243286
152.3502 5.138611
152.8323 5.596375
153.3145 5.209534
153.7966 4.727722
154.2787 4.328125
154.7608 3.943634
155.2429 3.318115
155.7250 2.134827
156.2072 0.2704160
156.6893 0.1424560
157.1714 2.387878
157.6535 4.696350
158.1356 5.244080
158.6177 4.194855
159.0999 2.819733
159.5820 2.305603
160.0641 2.838806
160.5462 2.958862
161.0283 2.267426
161.5104 1.499969
161.9926 1.126495
162.4747 1.215454
162.9568 1.545654
163.4389 2.073334
163.9210 2.771210
164.4031 2.943329
164.8853 1.955505
165.3674 0.5223690
165.8495 0.2728880
166.3316 0.1920170
166.8137 0.2944950
167.2958 0.8988650
167.7780 1.574066
168.2601 2.070374
168.7422 2.195984
169.2243 2.019440
169.7064 1.840027
170.1885 1.690399
170.6707 1.524048
171.1528 1.278137
171.6349 1.004059
172.1170 0.8037720
172.5991 0.7758790
173.0812 0.9260560
173.5634 1.035248
174.0455 1.101563
174.5276 1.108093
175.0097 0.9488220
175.4918 0.6702270
175.9739 0.4058840
176.4561 0.3911130
176.9382 0.8993230
177.4203 1.516388
177.9024 2.470184
178.3845 3.244568
178.8666 3.424896
179.3488 3.028687
179.8309 2.486084
180.3130 2.441559
180.7951 3.453979
181.2772 3.631989
181.7593 2.196198
182.2415 0.5429380
182.7236 0.2775880
183.2057 4.8431002E-02
183.6878 0.7709660
184.1699 1.412720
184.6520 1.753113
185.1342 2.129974
185.6163 2.610626
186.0984 3.105927
186.5805 3.602325
187.0626 4.113342
187.5447 4.431366
188.0269 4.024567
188.5090 2.623474
188.9911 1.692871
189.4732 1.893188
189.9553 2.723785
190.4374 3.322968
190.9196 3.421722
191.4017 3.261475
191.8838 3.094299
192.3659 2.877014
192.8480 2.932312
193.3301 3.763184
193.8123 5.073334
194.2944 5.670074
194.7765 4.793182
195.2586 3.658325
195.7407 3.653503
196.2228 4.797913
196.7050 5.966858
197.1871 6.382050
197.6692 6.066254
198.1513 5.489075
198.6334 4.333160
199.1155 3.298340
199.5977 2.928284
200.0798 3.246368
200.5619 3.734314
201.0440 3.957489
201.5261 3.881775
202.0082 3.771240
202.4904 3.543518
202.9725 3.372650
203.4546 3.308838
203.9367 3.375610
204.4188 3.618561
204.9009 4.188995
205.3831 5.321808
205.8652 6.040955
206.3473 5.886993
206.8294 5.664764
207.3115 5.923035
207.7936 6.677338
208.2758 7.555450
208.7579 7.933716
209.2400 7.541382
209.7221 7.184601
210.2042 6.767609
210.6863 6.442963
211.1685 6.379456
211.6506 6.579712
212.1327 6.843811
212.6148 6.876556
213.0969 6.541809
213.5790 6.244965
214.0612 5.889832
214.5433 5.605164
215.0254 5.626007
215.5075 5.978607
215.9896 6.387726
216.4717 6.458649
216.9539 6.017380
217.4360 5.606216
217.9181 5.161957
218.4002 4.785080
218.8823 4.637421
219.3644 4.762009
219.8466 4.911102
220.3287 4.683319
220.8108 3.964218
221.2929 3.521835
221.7750 3.492172
222.2571 3.781357
222.7393 4.523773
223.2214 5.869461
223.7035 6.932877
224.1856 6.058777
224.6677 3.403931
225.1498 1.632996
225.6320 2.129974
226.1141 3.763290
226.5962 4.638367
227.0783 4.315750
227.5604 3.661163
228.0425 3.374344
228.5247 3.351028
229.0068 3.611954
229.4889 4.507034
229.9710 5.660309
230.4531 6.112701
230.9352 5.458893
231.4174 4.747528
231.8995 4.977463
232.3816 5.825012
232.8637 6.403976
233.3458 6.125687
233.8279 5.233765
234.3101 4.460373
234.7922 3.717056
235.2743 3.323639
235.7564 3.442657
236.2385 3.974945
236.7206 4.779053
237.2028 6.112839
237.6849 7.678818
238.1670 8.077362
238.6491 6.354507
239.1312 4.861984
239.6133 4.755829
240.0955 5.476517
240.5776 6.058685
241.0597 5.899445
241.5418 5.165695
242.0239 4.675156
242.5060 4.511948
242.9882 4.506058
243.4703 4.807465
243.9524 5.175339
244.4345 5.212540
244.9166 4.620300
245.3987 3.603149
245.8809 3.171783
246.3630 3.940704
246.8451 4.529907
247.3272 4.598495
247.8093 4.349625
248.2914 4.012115
248.7736 3.693405
249.2557 3.438324
249.7378 3.446701
250.2199 4.099930
250.7020 4.546326
251.1841 4.536163
251.6663 4.317337
252.1484 4.193604
252.6305 4.309647
253.1126 4.575226
253.5947 4.703537
254.0768 4.624680
254.5590 4.479874
255.0411 4.495728
255.5232 4.376724
256.0053 3.590500
256.4874 1.883392
256.9695 0.1368870
257.4517 0.9670870
257.9338 1.016693
258.4159 2.286255
258.8980 2.459030
259.3801 2.081146
259.8622 1.536560
260.3444 0.9785770
260.8265 0.6688690
261.3086 1.152603
261.7907 3.766586
262.2728 5.126862
262.7549 4.025681
263.2371 2.153656
263.7192 1.228806
264.2013 1.690308
264.6834 2.743195
265.1655 3.178452
265.6476 2.640228
266.1298 2.307266
266.6119 2.469696
267.0940 2.698212
267.5761 2.456909
268.0582 1.664734
268.5403 0.9306030
269.0225 1.104065
269.5046 2.560913
269.9867 3.072327
270.4688 1.514969
270.9509 0.3332060
271.4330 0.7816310
271.9152 0.3306120
272.3973 1.807571
272.8794 2.588959
273.3615 2.598557
273.8436 2.452118
274.3257 1.864868
274.8079 1.310699
275.2900 1.166779
275.7721 1.486542
276.2542 2.043396
276.7363 2.892105
277.2184 3.884659
277.7006 4.182663
278.1827 2.947891
278.6648 1.659973
279.1469 1.597305
279.6290 2.604370
280.1111 3.285599
280.5933 2.598572
281.0754 1.017410
281.5575 0.2583920
282.0396 0.7812500
282.5217 1.539505
283.0038 2.079193
283.4860 2.342773
283.9681 2.092987
284.4502 0.9222110
284.9323 0.5361940
285.4144 0.9437560
285.8965 9.5963001E-02
286.3787 1.166122
286.8608 1.357162
287.3429 0.9047850
287.8250 0.6925200
288.3071 1.087845
288.7892 1.742249
289.2714 2.145172
289.7535 2.280365
290.2356 2.365219
290.7177 2.621674
291.1998 2.904663
291.6819 2.734818
292.1641 1.797241
292.6462 0.8087620
293.1283 0.6044770
293.6104 1.089066
294.0925 1.680878
294.5746 2.302216
295.0568 2.857376
295.5389 3.096405
296.0210 2.906174
296.5031 2.641846
296.9852 2.675110
297.4673 2.896530
297.9495 2.994965
298.4316 2.642975
298.9137 2.161346
299.3958 2.340973
299.8779 3.374725
300.3600 4.285095
300.8422 4.241516
301.3243 3.650635
301.8064 3.175949
302.2885 2.956482
302.7706 2.907410
303.2527 2.967239
303.7349 3.142578
304.2170 3.316818
304.6991 3.376740
305.1812 3.437241
305.6633 3.722458
306.1454 4.412460
306.6276 4.946548
307.1097 4.766541
307.5918 3.907501
308.0739 2.893936
308.5560 1.590836
309.0381 0.5151210
309.5203 0.2893830
310.0024 0.9958500
310.4845 1.827515
310.9666 2.397614
311.4487 2.680786
311.9308 2.459808
312.4130 1.393494
312.8951 0.2426610
313.3772 0.2649990
313.8593 0.2116700
314.3414 6.2316999E-02
314.8235 0.1781160
315.3057 0.3819730
315.7878 2.5803000E-02
316.2699 1.187271
316.7520 2.303513
317.2341 2.632004
317.7162 2.352203
318.1984 1.747543
318.6805 0.6255950
319.1626 0.6266170
319.6447 1.432068
320.1268 1.776611
320.6089 1.739807
321.0911 1.037964
321.5732 6.0593002E-02
322.0553 0.6548770
322.5374 0.9586030
323.0195 1.047806
323.5016 1.076538
323.9838 1.043259
324.4659 1.025131
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326.3943 2.093109
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328.3228 0.6459200
328.8049 2.4765000E-02
329.2870 0.4939270
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336.0367 1.163086
336.5188 2.358765
337.0009 3.035416
337.4830 2.460403
337.9651 1.200607
338.4473 0.3343350
338.9294 7.8766003E-02
339.4115 7.0618004E-02
339.8936 4.8553001E-02
340.3757 0.2209470
340.8578 8.7967001E-02
341.3400 1.420044
341.8221 2.973572
342.3042 3.503494
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344.7148 1.014389
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350.0181 2.901245
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357.7319 3.198532
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361.5889 11.84262
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362.5531 12.01683
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363.5173 10.80881
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364.4816 10.41000
364.9637 10.45032
365.4458 10.77289
365.9279 11.96904
366.4100 14.48047
366.8922 17.73965
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367.8564 19.78378
368.3385 20.05746
368.8206 20.86151
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369.7849 24.27573
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370.7491 30.04391
371.2312 32.01605
371.7133 32.34044
372.1954 34.01213
372.6776 37.54005
373.1597 41.81841
373.6418 46.06940
374.1239 50.41653
374.6060 55.59717
375.0881 62.29501
375.5703 70.46036
376.0524 79.15021
376.5345 90.18024
377.0166 99.65924
377.4987 108.0862
377.9808 114.1259
378.4630 115.9138
378.9451 112.6155
379.4272 105.0957
379.9093 95.06616
380.3914 80.08313
380.8735 66.46605
381.3557 54.06699
381.8378 43.20222
382.3199 33.86273
382.8020 26.11963
383.2841 20.42358
383.7662 17.73038
384.2484 18.62964
384.7305 18.32486
385.2126 15.35835
385.6947 12.53101
386.1768 10.62267
386.6589 9.519150
387.1411 8.858490
387.6232 8.456787
388.1053 8.361008
388.5874 8.806259
389.0695 10.48572
389.5516 11.27242
390.0338 9.965164
390.5159 8.171478
390.9980 7.253845
391.4801 7.587051
391.9622 8.530960
392.4443 9.493317
392.9265 10.56128
393.4086 11.55373
393.8907 11.99432
394.3728 12.70668
394.8549 14.16603
395.3370 16.30585
395.8192 18.79909
396.3013 21.43436
396.7834 24.26962
397.2655 27.32240
397.7476 30.25476
398.2297 34.26257
398.7119 40.73714
399.1940 48.47908
399.6761 56.07169
400.1582 63.25444
400.6403 69.93640
401.1224 76.15007
401.6046 81.89594
402.0867 86.51901
402.5688 89.53094
403.0509 91.77121
403.5330 94.00882
404.0151 96.16420
404.4973 99.26794
404.9794 103.7115
405.4615 109.4823
405.9436 116.6966
406.4257 125.4221
406.9078 134.8031
407.3900 143.7990
407.8721 152.7799
408.3542 163.5967
408.8363 176.3437
409.3184 190.9749
409.8005 206.6777
410.2827 224.0258
410.7648 244.5064
411.2469 268.4378
411.7290 296.4435
412.2111 330.3441
412.6932 369.6721
413.1754 414.3825
413.6575 465.2829
414.1396 521.0706
414.6217 584.1937
415.1038 653.6400
415.5859 721.0342
416.0681 781.8744
416.5502 838.6284
417.0323 851.0356
417.5144 810.1875
417.9965 742.7465
418.4786 643.5804
418.9608 527.5944
419.4429 417.0082
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