#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:29:26 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1140 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100054.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_8100054
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        X080003
_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            X080003.rod
_rod_data_source.block           3500000
_rod_database.code               8100054
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
113.5500 0.0000000E+00
114.0321 3.0400001E-03
114.5142 0.1902520
114.9964 0.7606010
115.4785 1.368290
115.9606 1.639988
116.4427 1.550711
116.9248 1.388521
117.4069 1.202808
117.8891 1.137234
118.3712 0.9215260
118.8533 0.7878950
119.3354 0.6859150
119.8175 0.5560550
120.2996 0.3991620
120.7818 0.2552110
121.2639 0.1013010
121.7460 7.1167000E-02
122.2281 4.7561999E-02
122.7102 0.4191700
123.1923 0.9855750
123.6745 1.483847
124.1566 1.872747
124.6387 2.138622
125.1208 2.194229
125.6029 1.877987
126.0850 1.743906
126.5672 2.031284
127.0493 2.396420
127.5314 2.492764
128.0135 2.205379
128.4956 1.713314
128.9777 1.505854
129.4599 1.967243
129.9420 2.326986
130.4241 2.636866
130.9062 2.751654
131.3883 2.525887
131.8705 1.821735
132.3526 0.7780000
132.8347 0.2015130
133.3168 0.3417660
133.7989 0.5720730
134.2810 0.6554740
134.7632 0.5852870
135.2453 0.5215970
135.7274 0.5967100
136.2095 0.7468240
136.6916 0.7956330
137.1737 0.5922570
137.6559 0.3796770
138.1380 0.4473440
138.6201 0.8862320
139.1022 1.387981
139.5843 1.747086
140.0664 1.874176
140.5486 1.775320
141.0307 1.574381
141.5128 1.332106
141.9949 1.119167
142.4770 0.8686280
142.9591 0.6918700
143.4413 0.6643810
143.9234 0.7511750
144.4055 0.9112450
144.8876 1.018902
145.3697 1.070089
145.8518 1.011286
146.3340 0.5729940
146.8161 0.2856690
147.2982 0.3943120
147.7803 0.8052480
148.2624 1.246334
148.7445 1.433977
149.2267 1.259586
149.7088 1.118792
150.1909 1.025940
150.6730 0.9602700
151.1551 0.9074840
151.6372 0.8574710
152.1194 0.8251000
152.6015 0.8452360
153.0836 0.9773620
153.5657 0.9914190
154.0478 0.7424980
154.5299 0.4405820
155.0121 0.3273240
155.4942 0.4579490
155.9763 0.6688080
156.4584 0.7007770
156.9405 0.5387080
157.4227 0.4231570
157.9048 0.4409890
158.3869 0.5414310
158.8690 0.6389770
159.3511 0.7244380
159.8332 0.7758850
160.3154 0.7341400
160.7975 0.5926150
161.2796 0.5389980
161.7617 0.8320140
162.2438 1.427273
162.7259 1.708466
163.2081 1.289709
163.6902 0.6567710
164.1723 0.1325040
164.6544 0.2511690
165.1365 0.4869060
165.6186 0.5555550
166.1008 0.4422760
166.5829 0.2388990
167.0650 0.2434160
167.5471 0.6847100
168.0292 0.8384420
168.5113 0.6494410
168.9935 0.3015160
169.4756 8.4682003E-02
169.9577 3.8619999E-02
170.4398 5.8711998E-02
170.9219 0.1970980
171.4040 0.3899080
171.8862 0.5639110
172.3683 0.7240640
172.8504 0.8391170
173.3325 0.8280890
173.8146 0.5307870
174.2967 0.2891110
174.7789 6.1120000E-03
175.2610 0.1843230
175.7431 5.5069000E-02
176.2252 0.5148420
176.7073 1.335392
177.1894 1.766124
177.6716 1.622980
178.1537 1.374120
178.6358 1.000382
179.1179 0.5826050
179.6000 0.2693450
180.0821 0.1574970
180.5643 0.2065180
181.0464 0.2660430
181.5285 0.3766780
182.0106 0.4399190
182.4927 0.3479720
182.9749 0.1441750
183.4570 2.6992001E-02
183.9391 0.1082140
184.4212 0.3380720
184.9033 0.5846110
185.3854 0.8841960
185.8676 1.137838
186.3497 1.261202
186.8318 1.252518
187.3139 1.173352
187.7960 0.9429870
188.2781 0.7059810
188.7603 0.6410610
189.2424 0.8223740
189.7245 1.093691
190.2066 1.271008
190.6887 1.350022
191.1708 1.335386
191.6530 1.134272
192.1351 0.8849460
192.6172 0.7032250
193.0993 0.6325430
193.5814 0.6415880
194.0635 0.6864120
194.5457 0.8269810
195.0278 0.8736900
195.5099 0.6617980
195.9920 0.4080790
196.4741 0.3425100
196.9562 0.5714450
197.4384 0.9909710
197.9205 1.311558
198.4026 1.513216
198.8847 1.622861
199.3668 1.644659
199.8489 1.584101
200.3311 1.415318
200.8132 1.120741
201.2953 0.7595650
201.7774 0.5676110
202.2595 0.7305020
202.7416 0.8673010
203.2238 0.9356670
203.7059 0.9563740
204.1880 0.9442190
204.6701 0.9014470
205.1522 0.8592180
205.6344 0.9463010
206.1165 1.379446
206.5986 1.678370
207.0807 1.651185
207.5628 1.422451
208.0449 1.214768
208.5271 1.137156
209.0092 1.175005
209.4913 1.283455
209.9734 1.690767
210.4555 1.893250
210.9376 1.510238
211.4198 0.7504120
211.9019 0.1987920
212.3840 0.1833760
212.8661 0.5547890
213.3482 0.8552760
213.8303 1.081642
214.3125 1.250425
214.7946 1.385034
215.2767 1.476039
215.7588 1.457115
216.2409 1.243723
216.7230 0.9369770
217.2052 0.7211410
217.6873 0.6112170
218.1694 0.5671860
218.6515 0.5974080
219.1336 0.6981570
219.6157 0.7432350
220.0979 0.6353830
220.5800 0.4738550
221.0621 0.3583400
221.5442 0.2939730
222.0263 0.2843560
222.5084 0.3621960
222.9906 0.5505450
223.4727 0.6590200
223.9548 0.5261920
224.4369 0.3711310
224.9190 0.3793950
225.4011 0.5709640
225.8833 0.8016600
226.3654 0.9304150
226.8475 0.9627250
227.3296 0.8467040
227.8117 0.2282080
228.2938 0.3164530
228.7760 0.3240200
229.2581 0.2778230
229.7402 1.066109
230.2223 1.465300
230.7044 1.344828
231.1866 1.245787
231.6687 1.241542
232.1508 1.258725
232.6329 1.230886
233.1150 1.149378
233.5971 1.097477
234.0793 1.218250
234.5614 1.699297
235.0435 1.831600
235.5256 1.232502
236.0077 0.6013300
236.4898 0.4256110
236.9720 0.7596210
237.4541 1.277866
237.9362 1.502379
238.4183 1.262299
238.9004 1.099769
239.3825 1.044052
239.8647 1.029214
240.3468 1.013986
240.8289 0.9903140
241.3110 0.9803020
241.7931 1.026632
242.2752 1.181042
242.7574 1.233297
243.2395 1.054373
243.7216 0.8834750
244.2037 0.8792950
244.6858 1.055471
245.1679 1.324560
245.6501 1.610120
246.1322 1.952997
246.6143 2.099153
247.0964 1.909708
247.5785 1.653344
248.0606 1.491967
248.5428 1.444652
249.0249 1.456370
249.5070 1.465318
249.9891 1.462459
250.4712 1.501513
250.9533 1.704892
251.4355 1.856852
251.9176 1.715742
252.3997 1.313169
252.8818 1.011250
253.3639 1.181469
253.8460 1.825101
254.3282 2.091022
254.8103 1.625503
255.2924 1.085488
255.7745 0.9698800
256.2566 1.249323
256.7387 1.492560
257.2209 1.356198
257.7030 0.9199010
258.1851 0.7119820
258.6672 0.9325040
259.1493 1.217802
259.6314 1.344357
260.1136 1.317236
260.5957 1.187544
261.0778 0.9151650
261.5599 0.5828810
262.0420 0.4227690
262.5241 0.5098850
263.0063 0.6824410
263.4884 0.9128170
263.9705 1.195996
264.4526 1.282435
264.9347 0.9460900
265.4168 0.4241580
265.8990 0.1513050
266.3811 0.1793890
266.8632 0.3519540
267.3453 0.6595100
267.8275 1.067576
268.3096 1.268474
268.7917 0.9915220
269.2738 0.5927720
269.7559 0.5865200
270.2380 1.063698
270.7202 1.539880
271.2023 1.625629
271.6844 1.385822
272.1665 1.204187
272.6486 1.200826
273.1307 1.268786
273.6129 1.315177
274.0950 1.334858
274.5771 1.291152
275.0592 1.120683
275.5413 0.8489500
276.0234 0.6158530
276.5056 0.3811760
276.9877 0.2904770
277.4698 0.4997220
277.9519 0.9511620
278.4340 1.361427
278.9161 1.569247
279.3983 1.601068
279.8804 1.570931
280.3625 1.455514
280.8446 1.323257
281.3267 1.160132
281.8088 1.007631
282.2910 0.9769900
282.7731 1.269853
283.2552 1.724105
283.7373 1.762663
284.2194 1.138936
284.7015 0.5545390
285.1837 0.3444350
285.6658 0.3724620
286.1479 0.4364400
286.6300 0.4861140
287.1121 0.5465050
287.5942 0.6211620
288.0764 0.7400220
288.5585 0.7897920
289.0406 0.6481230
289.5227 0.4550840
290.0048 0.3631050
290.4869 0.4334980
290.9691 0.5955050
291.4512 0.7467940
291.9333 0.9063750
292.4154 0.9917360
292.8975 1.010137
293.3796 0.9404750
293.8618 0.6808350
294.3439 0.2098820
294.8260 0.2158440
295.3081 0.2253530
295.7902 0.2810470
296.2723 0.7355950
296.7545 1.146291
297.2366 1.382783
297.7187 1.309437
298.2008 0.9521970
298.6829 0.5563350
299.1650 0.3912870
299.6472 0.4839210
300.1293 0.5455750
300.6114 0.4827460
301.0935 0.4582350
301.5756 0.6040950
302.0577 0.8679680
302.5399 1.071051
303.0220 1.035079
303.5041 0.7742840
303.9862 0.6162240
304.4683 0.6974190
304.9504 0.7237160
305.4326 0.5134500
305.9147 0.1807090
306.3968 6.0449000E-02
306.8789 7.0152000E-02
307.3610 0.1051170
307.8431 0.2768660
308.3253 0.4892280
308.8074 0.6204120
309.2895 0.6030570
309.7716 0.5109350
310.2537 0.4384420
310.7358 0.4314500
311.2180 0.4419910
311.7001 0.3484830
312.1822 7.1258999E-02
312.6643 0.1337940
313.1464 0.2394530
313.6285 0.2529320
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315.0749 0.3970760
315.5570 0.4486420
316.0392 0.1978730
316.5213 4.8783001E-02
317.0034 9.2215002E-02
317.4855 0.2086830
317.9676 0.3746110
318.4497 0.5681720
318.9319 0.7326860
319.4140 0.8348170
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322.7888 0.7155300
323.2709 0.6591350
323.7530 0.2250210
324.2351 6.6600000E-03
324.7173 8.9789003E-02
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330.0205 0.1656180
330.5027 4.8353001E-02
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340.1450 4.2156000E-02
340.6271 3.3895999E-02
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342.5556 0.5933490
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349.7873 4.5340001E-03
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351.2337 0.1450760
351.7158 3.1260001E-03
352.1979 0.1500940
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353.6443 0.1720940
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354.6085 8.7811001E-02
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374.3753 12.28764
374.8574 14.82753
375.3395 18.03756
375.8217 21.78186
376.3038 26.00281
376.7859 31.36589
377.2680 38.43372
377.7501 46.34692
378.2322 55.24729
378.7144 64.75964
379.1965 73.03775
379.6786 79.40966
380.1607 83.36912
380.6428 80.98676
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381.6071 55.03432
382.0892 41.50463
382.5713 29.04469
383.0534 19.51636
383.5355 13.74777
384.0176 10.70896
384.4998 8.170808
384.9819 6.118067
385.4640 4.673250
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386.4282 4.273167
386.9103 3.953732
387.3925 3.260818
387.8746 2.526947
388.3567 2.126323
388.8388 2.127650
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389.8030 1.487011
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390.7673 0.7545490
391.2494 0.6236820
391.7315 0.6158550
392.2136 0.7166870
392.6957 0.8906420
393.1779 1.012126
393.6600 1.080807
394.1421 1.093471
394.6242 0.9426890
395.1063 0.8008320
395.5884 0.8272250
396.0706 1.058822
396.5527 1.414250
397.0348 1.798590
397.5169 2.212676
397.9990 2.641934
398.4811 2.903410
398.9633 3.355509
399.4454 4.230060
399.9275 5.427521
400.4096 6.716537
400.8917 8.002677
401.3738 9.218098
401.8560 10.04751
402.3381 10.35143
402.8202 10.51540
403.3023 10.63181
403.7844 10.70549
404.2665 10.63501
404.7487 10.36882
405.2308 10.27694
405.7129 10.94216
406.1950 12.41941
406.6771 13.69139
407.1592 14.40726
407.6414 15.03612
408.1235 15.83646
408.6056 16.82900
409.0877 18.03468
409.5698 19.40328
410.0519 20.99603
410.5341 22.91161
411.0162 25.03879
411.4983 27.87969
411.9804 31.41700
412.4625 36.03434
412.9446 42.25297
413.4268 49.67451
413.9089 59.52256
414.3910 72.61180
414.8731 88.90228
415.3553 108.4228
415.8374 131.6358
416.3195 157.3653
416.8016 186.6498
417.2837 220.6343
417.7658 245.6342
418.2480 262.2970
418.7301 265.8604
419.2122 245.9991
419.6943 202.7266
420.1764 154.2753
420.6585 112.9328
421.1407 79.12516
421.6228 53.97080
422.1049 40.19355
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