#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:44:03 +0300 (Thu, 07 Jun 2018) $
#$Revision: 966 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100031.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_8100031
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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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               8100031
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
144.0406 0.0000000E+00
144.5228 7.5989999E-03
145.0049 1.370262
145.4870 2.945656
145.9691 3.891792
146.4512 3.976952
146.9333 3.869286
147.4155 3.367699
147.8976 2.586159
148.3797 1.837044
148.8618 0.7840650
149.3439 1.2238000E-02
149.8260 0.1962200
150.3082 1.008400
150.7903 1.950241
151.2724 2.370705
151.7545 2.250381
152.2366 2.302116
152.7188 2.620117
153.2009 3.080925
153.6830 3.583870
154.1651 4.507301
154.6472 5.089287
155.1293 4.972565
155.6115 4.035156
156.0936 3.390030
156.5757 3.301720
157.0578 3.566292
157.5399 3.964668
158.0220 4.673141
158.5042 5.322975
158.9863 5.746933
159.4684 5.894882
159.9505 6.039024
160.4326 6.298119
160.9147 6.603333
161.3969 6.832352
161.8790 6.994873
162.3611 7.030174
162.8432 6.821022
163.3253 6.195763
163.8074 5.788986
164.2896 6.147316
164.7717 6.927162
165.2538 7.443588
165.7359 7.141388
166.2180 6.600639
166.7001 6.237617
167.1823 6.154411
167.6644 6.263092
168.1465 6.594475
168.6286 7.084824
169.1107 7.530998
169.5928 7.937859
170.0750 8.165497
170.5571 8.021904
171.0392 7.316399
171.5213 6.540405
172.0034 5.930161
172.4855 5.465630
172.9677 5.339920
173.4498 6.224770
173.9319 7.469688
174.4140 8.093559
174.8961 7.575676
175.3782 6.781242
175.8604 6.253334
176.3425 5.906609
176.8246 5.751526
177.3067 6.160332
177.7888 6.649605
178.2709 6.922966
178.7531 7.081146
179.2352 7.003036
179.7173 7.014458
180.1994 7.099182
180.6815 6.946815
181.1636 6.640953
181.6458 5.914848
182.1279 5.308235
182.6100 5.181877
183.0921 5.466011
183.5742 5.890541
184.0563 6.406136
184.5385 6.767456
185.0206 6.579689
185.5027 5.897186
185.9848 5.247795
186.4669 4.775948
186.9490 4.512405
187.4312 4.559830
187.9133 4.962059
188.3954 5.323792
188.8775 5.069153
189.3596 4.245720
189.8417 3.453400
190.3239 2.858063
190.8060 2.449081
191.2881 2.477829
191.7702 3.043846
192.2523 3.672897
192.7344 3.723679
193.2166 3.181923
193.6987 2.608978
194.1808 2.209656
194.6629 1.978424
195.1450 1.820091
195.6271 1.734032
196.1093 1.719337
196.5914 1.855904
197.0735 2.169647
197.5556 2.310524
198.0377 2.044044
198.5198 1.363060
199.0020 0.8240890
199.4841 0.4116900
199.9662 0.1645200
200.4483 0.1983110
200.9304 0.5586090
201.4125 0.9163280
201.8947 1.199066
202.3768 1.343018
202.8589 1.396072
203.3410 1.342964
203.8231 1.216179
204.3052 1.088371
204.7874 0.9741820
205.2695 0.7960590
205.7516 0.4467470
206.2337 0.1406170
206.7158 0.4217680
207.1979 0.3211980
207.6801 1.4977000E-02
208.1622 0.3789290
208.6443 0.8676450
209.1264 1.076065
209.6085 0.6501240
210.0906 0.6824340
210.5728 1.348831
211.0549 1.102531
211.5370 0.3361430
212.0191 2.3894999E-02
212.5012 0.1919940
212.9833 0.3877330
213.4655 0.1928180
213.9476 0.6213910
214.4297 0.9347380
214.9118 0.5012130
215.3939 0.3275680
215.8760 0.6230160
216.3581 9.7007997E-02
216.8403 0.3742520
217.3224 0.2455900
217.8045 0.8988420
218.2866 1.325684
218.7687 0.7534560
219.2508 0.4639740
219.7330 1.426064
220.2151 2.220375
220.6972 2.593094
221.1793 2.281029
221.6614 0.8074950
222.1435 4.6340998E-02
222.6257 5.1422000E-02
223.1078 0.5165330
223.5899 0.9063870
224.0720 1.080330
224.5541 1.138390
225.0362 1.068192
225.5184 0.6563190
226.0005 0.6960140
226.4826 1.476135
226.9647 2.645836
227.4468 3.224586
227.9289 3.000755
228.4111 2.508881
228.8932 1.932617
229.3753 1.090782
229.8574 0.6191860
230.3395 0.6789550
230.8216 1.082649
231.3038 1.309792
231.7859 1.253662
232.2680 1.174416
232.7501 1.164925
233.2322 1.152184
233.7143 1.402496
234.1965 2.155693
234.6786 3.124268
235.1607 3.444771
235.6428 2.614067
236.1249 1.865593
236.6070 1.814293
237.0892 3.002769
237.5713 3.663651
238.0534 3.563797
238.5355 2.995811
239.0176 2.725830
239.4997 2.958618
239.9819 3.192192
240.4640 3.162834
240.9461 2.585472
241.4282 2.446831
241.9103 2.979279
242.3924 3.877701
242.8746 4.395226
243.3567 4.331528
243.8388 4.194305
244.3209 4.202080
244.8030 4.469315
245.2851 4.560936
245.7673 4.341316
246.2494 4.002892
246.7315 3.976547
247.2136 4.413185
247.6957 4.922951
248.1778 5.413132
248.6600 5.998543
249.1421 6.186821
249.6242 5.822151
250.1063 5.149437
250.5884 4.624702
251.0705 4.250977
251.5527 4.011238
252.0348 3.907845
252.5169 3.953583
252.9990 4.103737
253.4811 4.436356
253.9632 4.824272
254.4454 4.989983
254.9275 4.704163
255.4096 4.645126
255.8917 5.218040
256.3738 6.749802
256.8560 7.283447
257.3381 6.374863
257.8202 4.844910
258.3023 3.947556
258.7844 3.920319
259.2665 4.050377
259.7487 4.141449
260.2308 4.184883
260.7129 4.240295
261.1950 4.338203
261.6771 4.412331
262.1592 4.353516
262.6414 4.099594
263.1235 3.869904
263.6056 3.737602
264.0877 3.692543
264.5698 3.551414
265.0519 3.238731
265.5341 3.004112
266.0162 3.176193
266.4983 3.907761
266.9804 4.545624
267.4625 4.927444
267.9446 4.995224
268.4268 4.931999
268.9089 4.706779
269.3910 4.488914
269.8731 4.367073
270.3552 4.316429
270.8373 4.276863
271.3195 4.233200
271.8016 4.229668
272.2837 4.446144
272.7658 4.974937
273.2479 5.432655
273.7300 5.448357
274.2122 4.994698
274.6943 4.701607
275.1764 4.642250
275.6585 4.713661
276.1406 4.784172
276.6227 4.948166
277.1049 5.133263
277.5870 5.193161
278.0691 5.111130
278.5512 4.998940
279.0333 4.821243
279.5154 4.626793
279.9976 4.714371
280.4797 5.185242
280.9618 5.550735
281.4439 5.285629
281.9260 4.376976
282.4081 3.814247
282.8903 3.809410
283.3724 4.175728
283.8545 4.543373
284.3366 4.922127
284.8187 5.272118
285.3008 5.549644
285.7830 5.752289
286.2651 5.831596
286.7472 5.743408
287.2293 5.616928
287.7114 5.788551
288.1935 6.284729
288.6757 6.687599
289.1578 6.722374
289.6399 6.439842
290.1220 6.089981
290.6041 5.673325
291.0862 5.232910
291.5684 4.665245
292.0505 4.025597
292.5326 3.816803
293.0147 4.700867
293.4968 6.209763
293.9789 6.881798
294.4611 6.593681
294.9432 5.983536
295.4253 5.730408
295.9074 5.768509
296.3895 5.826950
296.8716 5.883034
297.3538 5.867050
297.8359 5.546860
298.3180 4.903831
298.8001 4.293060
299.2822 4.154160
299.7643 4.321304
300.2465 4.343704
300.7286 3.830170
301.2107 3.234825
301.6928 3.331825
302.1749 4.072975
302.6570 4.735252
303.1392 4.757721
303.6213 4.306641
304.1034 3.610664
304.5855 2.411438
305.0676 1.372940
305.5497 1.336990
306.0319 2.140053
306.5140 2.932159
306.9961 3.189758
307.4782 3.103645
307.9603 2.852409
308.4424 2.340149
308.9246 1.929153
309.4067 1.984756
309.8888 2.382782
310.3709 2.774361
310.8530 2.938049
311.3351 3.027435
311.8173 3.209206
312.2994 3.584564
312.7815 3.826691
313.2636 3.565933
313.7457 3.050529
314.2278 2.725220
314.7100 2.867477
315.1921 3.199142
315.6742 3.614403
316.1563 4.133789
316.6384 4.531487
317.1205 4.652687
317.6027 4.605858
318.0848 4.526306
318.5669 4.542572
319.0490 4.456970
319.5311 4.110245
320.0132 3.482323
320.4954 2.989494
320.9775 2.895042
321.4596 2.917274
321.9417 2.818604
322.4238 2.302338
322.9059 1.917480
323.3881 1.978592
323.8702 2.419930
324.3523 2.437103
324.8344 1.321724
325.3165 0.1403960
325.7986 0.4856570
326.2808 3.8612001E-02
326.7629 0.4767070
327.2450 0.8108060
327.7271 1.016579
328.2092 0.9958190
328.6913 0.3185880
329.1735 0.2051320
329.6556 0.2042690
330.1377 0.9137040
330.6198 1.409851
331.1019 0.8776090
331.5840 0.1563720
332.0662 0.6877980
332.5483 0.3886570
333.0304 5.8196999E-02
333.5125 5.1201001E-02
333.9946 9.5992997E-02
334.4767 0.2783580
334.9589 0.5317310
335.4410 0.7849660
335.9231 0.9639430
336.4052 1.097473
336.8873 1.065239
337.3694 0.7666020
337.8516 0.2269740
338.3336 0.1224750
338.8158 0.2906490
339.2979 0.2544020
339.7800 0.1720120
340.2621 1.114388
340.7442 1.481621
341.2263 0.8765790
341.7085 0.3348080
342.1906 0.8686980
342.6727 0.6574940
343.1548 0.2251740
343.6369 0.2164230
344.1190 0.6435320
344.6012 0.6402210
345.0833 4.8179999E-02
345.5654 0.7699430
346.0475 1.105621
346.5296 0.9900210
347.0117 0.9525450
347.4939 1.457832
347.9760 2.275459
348.4581 2.551064
348.9402 2.147781
349.4223 1.752647
349.9044 2.289246
350.3866 3.518684
350.8687 4.624100
351.3508 5.211693
351.8329 5.512199
352.3150 5.945793
352.7971 6.504463
353.2793 6.869041
353.7614 6.552895
354.2435 5.928734
354.7256 5.630432
355.2077 6.085587
355.6898 6.622360
356.1720 6.588852
356.6541 6.098328
357.1362 5.642982
357.6183 5.543304
358.1004 5.582497
358.5826 5.522812
359.0647 5.202065
359.5468 5.083946
360.0289 5.475151
360.5110 6.240486
360.9931 7.127045
361.4753 7.806442
361.9574 8.753380
362.4395 10.40495
362.9216 12.97004
363.4037 15.11877
363.8858 16.19431
364.3680 16.75848
364.8501 17.40607
365.3322 18.55190
365.8143 19.48865
366.2964 19.90833
366.7785 19.82784
367.2607 19.97896
367.7428 20.27792
368.2249 20.93169
368.7070 22.08609
369.1891 24.36762
369.6712 26.28188
370.1534 27.40305
370.6355 28.12046
371.1176 29.65949
371.5997 32.30673
372.0818 35.40642
372.5639 38.68842
373.0461 42.04836
373.5282 45.99661
374.0103 50.56258
374.4924 55.75886
374.9745 61.49508
375.4566 67.72971
375.9388 74.76436
376.4209 82.74854
376.9030 91.73373
377.3851 101.3365
377.8672 112.4154
378.3493 121.8543
378.8315 127.8914
379.3136 130.6542
379.7957 125.1546
380.2778 108.2855
380.7599 84.78417
381.2420 64.38644
381.7242 47.41997
382.2063 33.88963
382.6884 24.84019
383.1705 19.48387
383.6526 15.66070
384.1347 13.40054
384.6169 11.92683
385.0990 10.42513
385.5811 8.970917
386.0632 7.886299
386.5453 7.553894
387.0274 7.557167
387.5096 7.360382
387.9917 6.968254
388.4738 6.609230
388.9559 6.532394
389.4380 6.582993
389.9201 6.534500
390.4023 6.217850
390.8844 5.996193
391.3665 6.182381
391.8486 6.674561
392.3307 7.110336
392.8128 7.320206
393.2950 7.402817
393.7771 7.380096
394.2592 7.134491
394.7413 7.119934
395.2234 7.701736
395.7055 8.585770
396.1877 9.283859
396.6698 9.021797
397.1519 9.184464
397.6340 10.21488
398.1161 12.14188
398.5982 14.41913
399.0804 16.65002
399.5625 19.54338
400.0446 23.58952
400.5267 29.45906
401.0088 35.58398
401.4909 42.23985
401.9731 49.07094
402.4552 54.50346
402.9373 58.08324
403.4194 61.00882
403.9015 63.70316
404.3836 65.96093
404.8658 68.88209
405.3479 72.55663
405.8300 76.79420
406.3121 81.14886
406.7942 85.48316
407.2763 90.78534
407.7585 97.56137
408.2406 105.6442
408.7227 113.6766
409.2048 121.4779
409.6869 130.2461
410.1690 140.4139
410.6512 152.1955
411.1333 167.2687
411.6154 186.3108
412.0975 208.0882
412.5796 230.6714
413.0617 254.4011
413.5439 280.9839
414.0260 311.0672
414.5081 344.9998
414.9902 383.5536
415.4723 427.2235
415.9544 472.8243
416.4366 532.5754
416.9187 589.1713
417.4008 616.5972
417.8829 603.1550
418.3650 559.8663
418.8471 477.1379
419.3293 363.1490
419.8114 261.2238
420.2935 189.5952
420.7756 137.1950
421.2577 99.26511
421.7398 78.40171
422.2220 63.40587
422.7041 53.79546
423.1862 48.10383
423.6683 43.60294
424.1504 40.08431
424.6325 37.54874
425.1147 36.12852
425.5968 35.87946
426.0789 36.02695
426.5610 36.75319
427.0431 37.71008
427.5252 38.62893
428.0074 39.52842
428.4895 40.37708
428.9716 41.30579
429.4537 42.12314
429.9358 42.29324
430.4179 41.89870
430.9001 40.58098
431.3822 37.94052
431.8643 33.95822
432.3464 29.85416
432.8285 25.51344
433.3106 21.43488
433.7928 18.23595
434.2749 15.87826
434.7570 14.07701
435.2391 12.92370
435.7212 12.13103
436.2033 11.12070
436.6855 9.927193
437.1676 8.804527
437.6497 7.990402
438.1318 7.350494
438.6139 6.676338
439.0960 5.922592
439.5782 5.177086
440.0603 4.348602
440.5424 3.589951
441.0245 3.196373
441.5066 3.612335
441.9887 4.159164
442.4709 4.451340
442.9530 4.481415
443.4351 4.460426
443.9172 4.343552
444.3993 4.277603
444.8814 4.375313
445.3636 4.825394
445.8457 5.208694
446.3278 5.503204
446.8099 5.689621
447.2920 5.726906
447.7741 5.502045
448.2563 5.250473
448.7384 4.961136
449.2205 4.567017
449.7026 4.695122
450.1847 5.660202
450.6668 6.751610
451.1490 7.405182
451.6311 7.695457
452.1132 7.168503
452.5953 5.454483
453.0774 3.107254
453.5595 1.501595
454.0417 0.6643830
454.5238 0.2829130
455.0059 0.3819500
455.4880 0.8428650
455.9701 1.032654
456.4522 0.9093860
456.9344 0.6590500
457.4165 0.4619520
457.8986 0.2961040
458.3807 9.3902998E-02
458.8628 0.2531590
459.3449 0.5508650
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