#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:25:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1084 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100040.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_8100040
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        R040096
_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            R040096.rod
_rod_data_source.block           3500000
_rod_database.code               8100040
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
149.4147 0.0000000E+00
149.8968 21.06128
150.3789 25.83447
150.8610 30.79468
151.3431 21.36157
151.8252 7.753418
152.3074 1.521729
152.7895 0.9016110
153.2716 21.14282
153.7537 40.45190
154.2358 60.89551
154.7179 77.57349
155.2001 85.64355
155.6822 83.03174
156.1643 72.50537
156.6464 61.74951
157.1285 47.81494
157.6106 37.30518
158.0928 29.66553
158.5749 26.01587
159.0570 28.96191
159.5391 41.30322
160.0212 61.54224
160.5033 72.04370
160.9855 64.68530
161.4676 57.44922
161.9497 57.33228
162.4318 64.23999
162.9139 68.53589
163.3960 69.49170
163.8782 67.61182
164.3603 65.65381
164.8424 63.98096
165.3245 60.69409
165.8066 50.86890
166.2887 34.91675
166.7709 21.60767
167.2530 19.35669
167.7351 27.97461
168.2172 40.56128
168.6993 65.62158
169.1814 92.16968
169.6636 102.2417
170.1457 86.77100
170.6278 70.13989
171.1099 84.22705
171.5920 123.5239
172.0741 152.9199
172.5563 154.8376
173.0384 135.0625
173.5205 104.0007
174.0026 52.69214
174.4847 6.448975
174.9668 5.764160
175.4490 14.30347
175.9311 38.57837
176.4132 47.68335
176.8953 42.41675
177.3774 34.27930
177.8595 20.01465
178.3417 7.160645
178.8238 1.093994
179.3059 2.149658
179.7880 6.058838
180.2701 7.778076
180.7522 7.418457
181.2344 9.834961
181.7165 19.05444
182.1986 29.28979
182.6807 36.97290
183.1628 40.92041
183.6449 41.29785
184.1271 38.66113
184.6092 26.50317
185.0913 18.61743
185.5734 16.45532
186.0555 20.70850
186.5376 33.83398
187.0198 57.80957
187.5019 87.72168
187.9840 91.58423
188.4661 42.22876
188.9482 7.464844
189.4303 0.8759770
189.9125 5.633667
190.3946 13.67029
190.8767 16.53430
191.3588 15.82251
191.8409 19.33459
192.3230 38.34058
192.8052 48.54590
193.2873 37.03589
193.7694 14.49121
194.2515 0.2109380
194.7336 6.255127
195.2157 29.76270
195.6979 45.78992
196.1800 58.11841
196.6621 61.54761
197.1442 46.74927
197.6263 20.02881
198.1084 1.329102
198.5906 5.502930
199.0727 7.358765
199.5548 19.41797
200.0369 34.91052
200.5190 46.37463
201.0011 45.54590
201.4833 33.74780
201.9654 24.06604
202.4475 27.93811
202.9296 42.95312
203.4117 50.71448
203.8938 43.72705
204.3760 33.70044
204.8581 31.01941
205.3402 36.48511
205.8223 45.22021
206.3044 54.82129
206.7865 64.70740
207.2687 73.26685
207.7508 81.83813
208.2329 86.92407
208.7150 82.29260
209.1971 65.86047
209.6792 46.70166
210.1614 30.44495
210.6435 17.02075
211.1256 6.408081
211.6077 3.121338
212.0898 9.817017
212.5719 8.712280
213.0541 3.553101
213.5362 17.53223
214.0183 27.52673
214.5004 34.18835
214.9825 38.73303
215.4646 40.46277
215.9468 40.23584
216.4289 42.79700
216.9110 54.17651
217.3931 59.34778
217.8752 44.43787
218.3573 16.20056
218.8395 5.908203
219.3216 4.335327
219.8037 18.67114
220.2858 34.54944
220.7679 41.73328
221.2500 41.89856
221.7322 30.21265
222.2143 11.26648
222.6964 1.866089
223.1785 8.033813
223.6606 42.91748
224.1427 56.77527
224.6249 19.64075
225.1070 13.34729
225.5891 17.68469
226.0712 2.785889
226.5533 28.75098
227.0354 42.59631
227.5176 42.47241
227.9997 42.68738
228.4818 43.24377
228.9639 44.03674
229.4460 44.73645
229.9281 45.50037
230.4103 46.98193
230.8924 50.30835
231.3745 56.32446
231.8566 60.33667
232.3387 64.23096
232.8208 64.24963
233.3030 56.35876
233.7851 41.98022
234.2672 28.60950
234.7493 24.78345
235.2314 33.23022
235.7135 44.75208
236.1957 64.62646
236.6778 78.42456
237.1599 78.94495
237.6420 67.25220
238.1241 50.86816
238.6062 37.66699
239.0884 26.51880
239.5705 24.20691
240.0526 35.80066
240.5347 49.23291
241.0168 58.22852
241.4989 62.15247
241.9811 64.32117
242.4632 68.79370
242.9453 77.35889
243.4274 82.56470
243.9095 88.30823
244.3916 88.56250
244.8738 73.19714
245.3559 43.84192
245.8380 17.01843
246.3201 12.35107
246.8022 37.40979
247.2843 63.31567
247.7665 94.34436
248.2486 123.6960
248.7307 152.2716
249.2128 177.9614
249.6949 188.1322
250.1770 164.6694
250.6592 90.34619
251.1413 42.89050
251.6234 36.52002
252.1055 45.45386
252.5876 56.05981
253.0697 64.82922
253.5519 67.45679
254.0340 56.12000
254.5161 23.39429
254.9982 8.034668
255.4803 23.89136
255.9624 47.31042
256.4445 60.74792
256.9267 62.57202
257.4088 59.95911
257.8909 58.71606
258.3730 59.25012
258.8551 62.84033
259.3372 77.10962
259.8194 89.51013
260.3015 86.93005
260.7836 68.69519
261.2657 48.38647
261.7478 38.94788
262.2299 42.35132
262.7121 46.39893
263.1942 55.51660
263.6763 62.36438
264.1584 57.44031
264.6405 40.60608
265.1227 25.10229
265.6048 23.21741
266.0869 36.43457
266.5690 50.57886
267.0511 72.44641
267.5332 90.55054
268.0154 92.34167
268.4975 77.64917
268.9796 60.54358
269.4617 52.91895
269.9438 55.01831
270.4259 53.55408
270.9081 44.11658
271.3902 34.36572
271.8723 29.49487
272.3544 27.85754
272.8365 28.95935
273.3186 31.32288
273.8008 35.02454
274.2829 39.23157
274.7650 45.38867
275.2471 50.54724
275.7292 52.31592
276.2113 50.66333
276.6935 46.17126
277.1756 37.88782
277.6577 28.43457
278.1398 28.28381
278.6219 51.55518
279.1040 72.72156
279.5862 70.34644
280.0683 46.88232
280.5504 23.22119
281.0325 11.73511
281.5146 11.64209
281.9967 14.82544
282.4789 22.26538
282.9610 31.07361
283.4431 44.06372
283.9252 60.94397
284.4073 68.96265
284.8894 58.21240
285.3716 35.37170
285.8537 22.17822
286.3358 22.28235
286.8179 28.28137
287.3000 39.04004
287.7821 53.49280
288.2643 61.94080
288.7464 58.12817
289.2285 46.96118
289.7106 41.38599
290.1927 44.57141
290.6748 47.16064
291.1570 46.34155
291.6391 41.63025
292.1212 29.20862
292.6033 2.913574
293.0854 25.17297
293.5675 28.59619
294.0497 1.028320
294.5318 27.93164
295.0139 37.27368
295.4960 33.47510
295.9781 24.66443
296.4602 11.16052
296.9424 1.568359
297.4245 2.486084
297.9066 9.615234
298.3887 22.99561
298.8708 37.23096
299.3529 49.70740
299.8351 54.81055
300.3172 50.05127
300.7993 41.23584
301.2814 35.76221
301.7635 33.39795
302.2456 33.52808
302.7278 40.73035
303.2099 48.63708
303.6920 46.19470
304.1741 30.38171
304.6562 13.60986
305.1383 11.25208
305.6205 24.17957
306.1026 32.93713
306.5847 31.10071
307.0668 26.00549
307.5489 25.61829
308.0310 30.94067
308.5132 37.33948
308.9953 41.67993
309.4774 43.64355
309.9595 39.68921
310.4416 19.38989
310.9237 0.3424070
311.4059 6.9214001E-02
311.8880 17.77075
312.3701 35.34338
312.8522 39.40491
313.3343 30.33862
313.8164 21.62415
314.2986 6.451904
314.7807 2.568237
315.2628 6.657349
315.7449 30.21252
316.2270 52.12891
316.7091 63.37415
317.1913 64.33618
317.6734 58.96655
318.1555 39.31897
318.6376 22.78821
319.1197 16.19397
319.6018 17.60681
320.0840 23.23291
320.5661 31.94519
321.0482 42.24695
321.5303 48.75171
322.0124 51.41541
322.4945 51.14600
322.9767 46.79944
323.4588 40.01575
323.9409 32.88391
324.4230 26.07581
324.9051 19.86731
325.3872 14.94080
325.8694 13.08765
326.3515 9.343872
326.8336 2.679932
327.3157 5.688599
327.7978 17.69983
328.2799 33.21960
328.7621 43.75549
329.2442 35.77087
329.7263 5.034790
330.2084 28.09644
330.6905 20.05432
331.1726 4.766602
331.6548 1.274536
332.1369 3.884521
332.6190 13.09924
333.1011 19.36389
333.5832 22.32971
334.0653 23.79224
334.5475 21.77222
335.0296 20.31409
335.5117 22.62708
335.9938 27.54468
336.4759 30.82300
336.9580 28.40491
337.4402 20.43970
337.9223 18.93591
338.4044 36.86304
338.8865 46.89685
339.3686 34.02881
339.8507 9.518677
340.3329 6.442017
340.8150 1.826416
341.2971 18.11328
341.7792 30.87280
342.2613 35.79175
342.7434 33.03430
343.2256 10.30811
343.7077 14.84106
344.1898 20.48730
344.6719 1.690308
345.1540 36.97656
345.6361 55.69214
346.1183 50.21033
346.6004 41.45398
347.0825 25.22485
347.5646 10.72107
348.0467 4.218872
348.5288 7.145264
349.0110 17.08142
349.4931 35.12390
349.9752 67.93665
350.4573 81.77136
350.9394 53.84436
351.4215 24.07593
351.9037 12.64331
352.3858 16.98914
352.8679 24.82849
353.3500 26.26978
353.8321 21.50513
354.3142 17.36658
354.7964 12.19080
355.2785 9.564819
355.7606 9.863525
356.2427 13.61450
356.7248 23.38782
357.2069 44.23279
357.6891 69.77197
358.1712 81.08618
358.6533 73.91235
359.1354 61.66479
359.6175 43.17944
360.0996 25.32104
360.5818 17.22534
361.0639 23.59326
361.5460 36.05652
362.0281 43.21118
362.5102 44.33203
362.9923 46.74329
363.4745 52.88354
363.9566 61.58093
364.4387 70.68835
364.9208 79.49658
365.4029 92.50610
365.8850 114.6765
366.3672 144.6046
366.8493 175.9116
367.3314 209.3726
367.8135 240.3217
368.2956 265.3901
368.7777 284.5763
369.2599 296.3661
369.7420 289.0138
370.2241 276.8892
370.7062 288.5145
371.1883 330.2300
371.6704 376.6072
372.1526 403.8229
372.6347 415.8816
373.1168 438.5684
373.5989 470.4401
374.0810 516.8582
374.5631 583.4062
375.0453 669.6929
375.5274 768.2354
376.0095 870.8406
376.4916 985.3398
376.9737 1140.942
377.4558 1355.454
377.9380 1585.780
378.4201 1873.674
378.9022 2161.579
379.3843 2338.411
379.8664 2360.826
380.3485 2250.038
380.8307 2039.459
381.3128 1654.073
381.7949 1305.666
382.2770 994.9329
382.7591 733.0820
383.2412 544.1627
383.7234 427.7780
384.2055 351.9956
384.6876 281.4269
385.1697 213.3279
385.6518 160.9403
386.1339 128.0752
386.6161 103.9733
387.0982 86.99573
387.5803 77.26929
388.0624 70.28625
388.5445 64.18591
389.0266 59.15405
389.5088 57.77637
389.9909 69.31506
390.4730 74.28003
390.9551 63.02832
391.4372 45.49158
391.9193 34.27246
392.4015 34.90796
392.8836 42.87256
393.3657 49.99866
393.8478 58.02197
394.3299 60.48303
394.8120 47.79724
395.2942 35.66724
395.7763 37.97302
396.2584 55.48804
396.7405 73.18689
397.2226 73.48962
397.7047 56.20459
398.1869 45.49170
398.6690 46.18274
399.1511 51.56152
399.6332 58.60425
400.1153 66.82153
400.5974 75.08374
401.0796 82.02734
401.5617 87.97949
402.0438 95.06262
402.5259 104.5098
403.0080 119.4886
403.4901 137.0299
403.9723 163.7081
404.4544 211.1554
404.9365 290.4629
405.4186 376.5858
405.9007 451.1893
406.3828 514.0881
406.8650 564.3242
407.3471 595.8372
407.8292 621.4795
408.3113 663.7780
408.7934 724.5730
409.2755 786.6716
409.7577 836.1719
410.2398 886.9026
410.7219 959.0132
411.2040 1055.931
411.6861 1163.532
412.1682 1262.883
412.6504 1350.104
413.1325 1484.196
413.6146 1650.334
414.0967 1873.817
414.5788 2167.941
415.0609 2532.008
415.5431 2972.719
416.0252 3504.233
416.5073 4099.668
416.9894 4641.178
417.4715 5320.277
417.9536 5707.292
418.4358 5689.068
418.9179 5391.117
419.4000 4894.617
419.8821 4240.450
420.3642 3519.911
420.8463 2855.322
421.3285 2226.659
421.8106 1722.554
422.2927 1388.639
422.7748 1133.323
423.2569 926.2329
423.7390 761.4351
424.2212 638.9424
424.7033 564.0151
425.1854 531.9086
425.6675 512.7418
426.1496 505.9592
426.6317 514.7937
427.1139 543.0107
427.5960 584.3523
428.0781 633.5383
428.5602 691.1929
429.0423 748.2876
429.5244 796.9613
430.0066 837.4379
430.4887 860.7063
430.9708 867.1968
431.4529 850.0940
431.9350 803.5121
432.4171 726.3207
432.8993 640.2839
433.3814 545.7593
433.8635 451.8702
434.3456 375.1455
434.8277 318.6614
435.3098 273.4620
435.7920 232.3684
436.2741 196.2319
436.7562 169.3063
437.2383 156.8746
437.7204 148.9832
438.2025 142.5880
438.6847 136.2062
439.1668 124.6769
439.6489 104.1379
440.1310 80.63794
440.6131 70.89453
441.0952 91.98950
441.5774 102.1926
442.0595 88.88232
442.5416 70.37598
443.0237 64.43054
443.5058 73.41760
443.9879 86.58960
444.4701 91.11755
444.9522 84.45300
445.4343 87.23853
445.9164 107.6128
446.3985 129.3705
446.8806 144.5657
447.3628 157.7692
447.8449 180.6943
448.3270 223.1178
448.8091 270.7834
449.2912 286.1041
449.7733 258.4387
450.2555 227.7107
450.7376 202.5927
451.2197 179.3496
451.7018 154.3306
452.1839 127.1786
452.6660 102.1615
453.1482 82.46460
453.6303 67.75842
454.1124 57.25525
454.5945 51.96008
455.0766 48.24377
455.5587 44.41052
456.0409 39.99219
456.5230 33.02881
457.0051 17.78772
457.4872 4.715820
457.9693 7.023804
458.4514 20.62561
458.9336 25.56226
459.4156 7.898560
459.8978 19.67627
460.3799 19.87500
460.8620 29.90173
461.3441 59.76001
461.8262 40.90381
462.3083 5.110840
462.7905 15.29199
463.2726 14.24292
463.7547 2.896240
464.2368 8.075195
464.7189 19.02295
465.2010 26.23083
465.6832 28.39221
466.1653 28.41406
466.6474 24.08801
467.1295 18.85120
467.6116 19.49243
468.0938 30.12573
468.5759 43.79236
469.0580 43.65845
469.5401 23.13379
470.0222 5.930420
470.5043 4.427002
470.9865 9.594971
471.4686 8.963013
471.9507 3.076538
472.4328 4.199829
472.9149 12.93713
473.3970 21.05725
473.8792 18.22815
474.3613 0.8314210
474.8434 15.41113
475.3255 8.269287
475.8076 11.60498
476.2897 27.10425
476.7719 38.56519
477.2540 41.34766
477.7361 23.72571
478.2182 6.142578
478.7003 21.64368
479.1824 11.71045
479.6646 9.046387
480.1467 17.21704
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1244.302 26.56366
1244.784 43.00043
1245.266 47.54211
1245.748 13.09509
1246.230 14.31818
1246.712 3.386841
1247.194 15.37952
1247.676 21.57239
1248.158 19.63422
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1249.123 5.259521
1249.605 10.55603
1250.087 41.67255
1250.569 56.93976
1251.051 48.96008
1251.533 40.73401
1252.015 37.37238
1252.498 35.75568
1252.980 33.88818
1253.462 32.53638
1253.944 33.71332
1254.426 36.45007
1254.908 34.64636
1255.390 28.59827
1255.872 18.82153
1256.354 6.752258
1256.837 3.375488
1257.319 11.64435
1257.801 21.80408
1258.283 26.42261
1258.765 29.86163
1259.247 42.83893
1259.729 54.36560
1260.211 49.44440
1260.693 35.77478
1261.176 21.67047
1261.658 10.78546
1262.140 8.743225
1262.622 16.72198
1263.104 21.06470
1263.586 13.09576
1264.068 9.535095
1264.550 20.56110
1265.033 30.51782
1265.515 27.46637
1265.997 19.67480
1266.479 27.30322
1266.961 44.53821
1267.443 45.97467
1267.925 27.25153
1268.407 22.36041
1268.890 33.62634
1269.372 33.06946
1269.854 13.86829
1270.336 3.876404
1270.818 19.41223
1271.300 41.35461
1271.782 49.32104
1272.264 47.59827
1272.746 42.44641
1273.229 35.98651
1273.711 34.62335
1274.193 34.89984
1274.675 23.55133
1275.157 1.784424
1275.639 6.132080
1276.121 14.73456
1276.603 34.33521
1277.085 39.37732
1277.568 38.24530
1278.050 30.87842
1278.532 23.23962
1279.014 16.57587
1279.496 12.81885
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1281.907 5.365906
1282.389 13.54834
1282.871 19.72424
1283.353 20.81531
1283.835 17.35443
1284.317 8.732117
1284.799 6.0120001E-02
1285.281 0.0000000E+00
