#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:47 +0300 (Thu, 24 May 2018) $
#$Revision: 675 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000198.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_1000198
loop_
_publ_author_name
'Winter, J. K.'
'Ghose, S.'
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5
 polymorphs T = 25 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               586
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        R050561
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Andalusite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7980
_cell_length_b                   7.9031
_cell_length_c                   5.5566
_cell_volume                     342.444
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.143
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9000715
_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            R050561.rod
_rod_data_source.block           3500000
_rod_database.code               1000198
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 9000715 COD http://www.crystallography.net/cod/9000715.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
127.7860 0.0000000E+00
128.2681 4.1343998E-02
128.7502 0.7112660
129.2324 1.914810
129.7145 2.830948
130.1966 3.426468
130.6787 3.645073
131.1608 3.154781
131.6429 2.112011
132.1251 1.351162
132.6072 1.270802
133.0893 1.668846
133.5714 1.818340
134.0535 1.653507
134.5356 1.522915
135.0178 2.008053
135.4999 3.121197
135.9820 4.020035
136.4641 4.171196
136.9462 3.612938
137.4283 3.771366
137.9105 4.812439
138.3926 6.281651
138.8747 7.445847
139.3568 8.289841
139.8389 8.944096
140.3210 9.488567
140.8032 9.964695
141.2853 10.07986
141.7674 9.639503
142.2495 8.952324
142.7316 8.739002
143.2137 8.953163
143.6959 9.075703
144.1780 9.224083
144.6601 9.496086
145.1422 9.571888
145.6243 9.383400
146.1064 9.002834
146.5886 8.700390
147.0707 8.552795
147.5528 8.397366
148.0349 8.151703
148.5170 7.839340
148.9991 7.400311
149.4813 6.680904
149.9634 5.740082
150.4455 5.193188
150.9276 5.331852
151.4097 5.652267
151.8918 5.837456
152.3740 5.709454
152.8561 5.657471
153.3382 5.838169
153.8203 6.238621
154.3024 6.322678
154.7845 5.922791
155.2667 5.266003
155.7488 4.516453
156.2309 3.471035
156.7130 2.568657
157.1951 1.908165
157.6772 1.496525
158.1594 1.221848
158.6415 1.012386
159.1236 0.9472200
159.6057 1.105328
160.0878 1.815914
160.5699 2.468731
161.0521 2.872238
161.5342 3.001392
162.0163 2.954765
162.4984 2.638992
162.9805 2.201496
163.4626 1.829418
163.9448 1.607338
164.4269 1.456947
164.9090 1.346004
165.3911 1.276871
165.8732 1.215775
166.3553 1.119186
166.8375 1.017937
167.3196 0.9658050
167.8017 1.055332
168.2838 1.160046
168.7659 1.180527
169.2480 1.087925
169.7302 0.9780850
170.2123 0.8831210
170.6944 0.8160740
171.1765 0.8055340
171.6586 0.8517070
172.1407 0.9666400
172.6229 1.223053
173.1050 1.751793
173.5871 2.163235
174.0692 1.977768
174.5513 1.379414
175.0334 0.9105800
175.5156 1.001518
175.9977 1.379654
176.4798 1.651390
176.9619 1.738605
177.4440 1.752769
177.9261 1.809639
178.4083 1.899216
178.8904 1.974026
179.3725 1.978119
179.8546 1.948036
180.3367 1.977398
180.8188 2.147324
181.3010 2.273899
181.7831 1.913277
182.2652 1.148697
182.7473 0.6280630
183.2294 1.087654
183.7115 2.187981
184.1937 2.932354
184.6758 3.005737
185.1579 2.786674
185.6400 2.951527
186.1221 3.535789
186.6042 4.096882
187.0864 4.168034
187.5685 3.873158
188.0506 3.778313
188.5327 4.116333
189.0148 4.625473
189.4969 4.611176
189.9791 4.044090
190.4612 3.592335
190.9433 4.138863
191.4254 5.501923
191.9075 6.111839
192.3896 5.345978
192.8718 3.759682
193.3539 2.942223
193.8360 2.907799
194.3181 3.128166
194.8002 3.127197
195.2823 2.920837
195.7645 2.932976
196.2466 3.325600
196.7287 3.998016
197.2108 4.571884
197.6929 5.059540
198.1750 5.443626
198.6572 5.655426
199.1393 5.690788
199.6214 5.810699
200.1035 6.001114
200.5856 6.269882
201.0677 6.830132
201.5499 7.736687
202.0320 8.794136
202.5141 9.857933
202.9962 10.94518
203.4783 11.86503
203.9604 12.56039
204.4426 13.01376
204.9247 13.29819
205.4068 13.49821
205.8889 13.36628
206.3710 12.55717
206.8531 10.93923
207.3353 9.390221
207.8174 8.121666
208.2995 7.113304
208.7816 6.052399
209.2637 4.859680
209.7458 3.783943
210.2280 3.104057
210.7101 2.883492
211.1922 2.840408
211.6743 3.027214
212.1564 3.420532
212.6385 3.313293
213.1207 2.471848
213.6028 1.506172
214.0849 1.069908
214.5670 1.303833
215.0491 1.661148
215.5313 2.139175
216.0134 2.734901
216.4955 2.778091
216.9776 2.019806
217.4597 1.054352
217.9418 0.4893800
218.4240 0.4380040
218.9061 0.5018690
219.3882 0.6038820
219.8703 0.7411730
220.3524 0.9697880
220.8345 1.295868
221.3167 1.699409
221.7988 2.225700
222.2809 3.051834
222.7630 3.557495
223.2451 3.484818
223.7272 2.822380
224.2094 2.519173
224.6915 2.651550
225.1736 3.057617
225.6557 3.662964
226.1378 4.841148
226.6199 5.410767
227.1021 4.859398
227.5842 3.174980
228.0663 2.476303
228.5484 3.360909
229.0305 4.576469
229.5126 4.871429
229.9948 3.611031
230.4769 2.728874
230.9590 2.642563
231.4411 3.351166
231.9232 4.021744
232.4053 4.835663
232.8875 5.427879
233.3696 5.334709
233.8517 3.770378
234.3338 3.106102
234.8159 4.076691
235.2980 6.644608
235.7802 8.267700
236.2623 8.477554
236.7444 8.254318
237.2265 8.406067
237.7086 9.137321
238.1907 9.854408
238.6729 10.51572
239.1550 11.11394
239.6371 11.49914
240.1192 11.56883
240.6013 11.54057
241.0834 11.60938
241.5656 11.95216
242.0477 12.03172
242.5298 11.74416
243.0119 11.11273
243.4940 10.36625
243.9761 9.421463
244.4583 8.458008
244.9404 7.648781
245.4225 7.251541
245.9046 6.448196
246.3867 4.894264
246.8688 2.772392
247.3510 1.374962
247.8331 0.9705730
248.3152 0.9458080
248.7973 0.9713750
249.2794 1.241913
249.7615 1.114838
250.2437 0.3121800
250.7258 0.9513470
251.2079 1.620911
251.6900 1.438469
252.1721 1.029274
252.6542 0.7355190
253.1364 0.5865480
253.6185 0.4875490
254.1006 0.4116060
254.5827 0.3843000
255.0648 0.5040360
255.5469 0.7836840
256.0291 1.187996
256.5112 1.751953
256.9933 2.662315
257.4754 3.243538
257.9575 3.370468
258.4396 3.186874
258.9218 3.109138
259.4039 3.204666
259.8860 3.277710
260.3681 3.264999
260.8502 3.224762
261.3323 2.895065
261.8145 2.166527
262.2966 1.214844
262.7787 0.3928220
263.2608 0.3020250
263.7429 0.8601530
264.2250 1.229385
264.7072 1.300568
265.1893 1.581108
265.6714 2.037155
266.1535 2.726479
266.6356 3.805161
267.1177 5.423073
267.5999 7.059204
268.0820 8.448013
268.5641 9.520210
269.0462 10.97919
269.5283 12.91796
270.0104 15.15862
270.4926 17.45210
270.9747 19.76177
271.4568 22.34792
271.9389 25.28642
272.4210 28.60872
272.9031 32.23650
273.3853 36.21349
273.8674 40.42618
274.3495 44.72777
274.8316 49.23715
275.3137 53.29926
275.7958 56.58251
276.2780 59.16821
276.7601 62.29887
277.2422 66.09413
277.7243 70.12419
278.2064 73.82077
278.6885 77.08506
279.1707 80.84191
279.6528 85.31801
280.1349 90.45950
280.6170 95.99675
281.0991 101.9251
281.5812 108.3007
282.0634 114.9791
282.5455 122.0389
283.0276 129.8168
283.5097 138.3677
283.9918 147.6952
284.4739 157.6853
284.9561 168.2779
285.4382 179.9855
285.9203 193.6578
286.4024 209.0638
286.8845 224.4463
287.3666 239.4166
287.8488 254.1417
288.3309 269.4417
288.8130 285.3676
289.2951 299.5991
289.7772 311.4813
290.2593 320.6141
290.7415 325.3856
291.2236 325.6709
291.7057 321.3699
292.1878 311.6547
292.6699 296.7039
293.1520 278.5581
293.6342 257.4656
294.1163 233.9766
294.5984 210.2111
295.0805 185.7709
295.5626 162.3862
296.0447 141.7507
296.5269 123.7208
297.0090 107.5461
297.4911 92.96634
297.9732 80.03467
298.4553 69.41143
298.9374 61.20335
299.4196 54.46440
299.9017 48.53523
300.3838 43.41241
300.8659 39.15688
301.3480 35.86820
301.8301 33.46201
302.3123 31.96620
302.7944 31.35298
303.2765 31.19145
303.7586 31.15131
304.2407 31.30798
304.7228 31.81453
305.2050 32.80629
305.6871 34.07662
306.1692 35.41026
306.6513 36.82840
307.1334 38.32664
307.6155 39.57988
308.0977 41.00854
308.5798 43.17703
309.0619 46.51553
309.5440 50.30157
310.0261 53.89151
310.5082 57.41830
310.9904 61.28085
311.4725 65.38258
311.9546 70.12778
312.4367 75.81433
312.9188 82.36279
313.4009 90.13892
313.8831 99.43369
314.3652 110.0062
314.8473 121.5330
315.3294 133.6180
315.8115 146.9975
316.2936 162.6330
316.7758 180.9523
317.2579 199.0200
317.7400 216.6206
318.2221 233.0439
318.7042 247.7656
319.1863 263.1078
319.6685 274.5339
320.1506 280.5459
320.6327 281.0576
321.1148 276.0329
321.5969 263.6631
322.0790 246.6750
322.5612 227.0651
323.0433 201.2765
323.5254 177.2187
324.0075 157.1497
324.4896 140.6130
324.9717 124.6999
325.4539 108.1115
325.9360 92.36510
326.4181 78.47769
326.9002 66.89392
327.3823 56.54698
327.8644 47.42248
328.3466 39.49599
328.8287 32.70208
329.3108 27.24030
329.7929 22.69148
330.2750 19.09180
330.7571 16.86636
331.2393 14.49449
331.7214 11.52337
332.2035 8.564598
332.6856 6.677597
333.1677 6.457054
333.6498 6.421738
334.1320 6.145973
334.6141 5.559654
335.0962 5.330055
335.5783 5.638565
336.0604 6.115761
336.5425 6.289635
337.0247 5.819572
337.5068 5.928673
337.9889 6.962151
338.4710 8.821602
338.9531 10.66085
339.4352 12.42534
339.9174 14.35418
340.3995 16.74403
340.8816 19.74920
341.3637 22.27486
341.8458 24.08777
342.3279 25.46805
342.8101 27.16319
343.2922 29.14418
343.7743 31.47479
344.2564 34.24922
344.7385 37.47099
345.2206 40.72602
345.7028 44.04265
346.1849 47.36848
346.6670 50.43156
347.1491 53.28203
347.6312 56.68498
348.1133 61.15025
348.5955 66.45863
349.0776 71.84542
349.5597 77.32356
350.0418 83.26754
350.5239 89.92238
351.0060 97.34319
351.4882 105.4672
351.9703 114.5153
352.4524 124.0675
352.9345 133.3427
353.4166 142.3743
353.8987 151.4979
354.3809 161.1060
354.8630 170.8742
355.3451 180.2593
355.8272 189.5289
356.3093 197.5966
356.7914 203.9314
357.2736 208.3859
357.7557 210.3715
358.2378 209.4030
358.7199 205.9297
359.2020 199.9864
359.6841 191.3470
360.1663 181.6217
360.6484 171.6832
361.1305 161.2303
361.6126 149.8412
362.0947 135.9485
362.5768 122.3248
363.0590 109.8732
363.5411 98.64718
364.0232 88.87988
364.5053 81.41634
364.9874 75.02769
365.4695 68.75864
365.9517 61.79343
366.4338 55.61562
366.9159 50.58116
367.3980 46.55132
367.8801 42.95696
368.3622 39.83200
368.8444 37.08273
369.3265 34.70331
369.8086 32.90339
370.2907 31.07400
370.7728 29.04503
371.2549 27.03935
371.7371 25.47316
372.2192 24.86723
372.7013 24.02566
373.1834 22.52861
373.6655 20.25488
374.1476 18.25610
374.6298 16.62657
375.1119 15.23982
375.5940 14.00695
376.0761 12.99306
376.5582 11.88976
377.0403 10.57127
377.5225 9.130424
378.0046 7.899223
378.4867 6.896317
378.9688 6.176842
379.4509 5.953568
379.9330 6.244530
380.4152 6.050339
380.8973 5.172142
381.3794 4.032982
381.8615 3.394058
382.3436 3.236153
382.8257 3.126564
383.3079 2.781349
383.7900 2.318954
384.2721 2.224327
384.7542 2.533150
385.2363 2.820229
385.7184 2.538628
386.2006 1.890869
386.6827 1.410721
387.1648 1.241699
387.6469 1.349075
388.1290 1.792747
388.6111 2.524902
389.0933 3.274048
389.5754 3.949463
390.0575 4.514244
390.5396 4.986382
391.0217 5.453178
391.5038 5.581017
391.9860 4.902481
392.4681 3.744781
392.9502 2.691383
393.4323 1.929207
393.9144 1.403534
394.3965 1.235146
394.8787 1.450638
395.3608 1.403610
395.8429 0.5540540
396.3250 0.5172500
396.8071 1.294083
397.2892 1.538406
397.7714 1.614433
398.2535 1.479546
398.7356 1.196548
399.2177 1.065689
399.6998 1.346619
400.1819 1.595551
400.6641 1.620041
401.1462 1.372681
401.6283 0.9390030
402.1104 0.3873980
402.5925 0.4054870
403.0746 1.677849
403.5568 3.818848
404.0389 5.634590
404.5210 6.735512
405.0031 7.120171
405.4852 7.783470
405.9673 8.864792
406.4495 9.945778
406.9316 10.64744
407.4137 10.90144
407.8958 11.30596
408.3779 11.82509
408.8600 12.54063
409.3422 13.79578
409.8243 15.64398
410.3064 17.25679
410.7885 17.94923
411.2706 17.96527
411.7527 18.38619
412.2349 19.25256
412.7170 20.54007
413.1991 22.33281
413.6812 24.54636
414.1633 26.87043
414.6454 29.43550
415.1276 31.86127
415.6097 33.52594
416.0918 34.48889
416.5739 35.29671
417.0560 36.59669
417.5381 37.83133
418.0203 38.34663
418.5024 37.95586
418.9845 36.98684
419.4666 35.67975
419.9487 33.93718
420.4308 31.60931
420.9130 27.84396
421.3951 24.12849
421.8772 21.21933
422.3593 19.27245
422.8414 17.35834
423.3235 15.14730
423.8057 12.93102
424.2878 10.96828
424.7699 9.245293
425.2520 7.834137
425.7341 6.873398
426.2162 6.273170
426.6984 5.675056
427.1805 5.201515
427.6626 4.595665
428.1447 3.702209
428.6268 2.386505
429.1089 1.290070
429.5911 0.4019780
430.0732 0.2698290
430.5553 0.6913300
431.0374 0.7958220
431.5195 0.9268950
432.0016 1.205406
432.4838 1.560791
432.9659 1.690964
433.4480 1.584236
433.9301 1.316078
434.4122 0.9388120
434.8943 0.4364550
435.3765 0.3204570
435.8586 1.373260
436.3407 2.545212
436.8228 3.649933
437.3049 4.683525
437.7870 5.624664
438.2692 6.458466
438.7513 7.162178
439.2334 7.647964
439.7155 7.948067
440.1976 8.364304
440.6797 9.142578
441.1619 10.10613
441.6440 11.05764
442.1261 11.90587
442.6082 12.87683
443.0903 14.11700
443.5724 15.57368
444.0546 17.13348
444.5367 19.14728
445.0188 20.91857
445.5009 21.85058
445.9830 21.69657
446.4651 22.34365
446.9473 24.51090
447.4294 27.43684
447.9115 30.45627
448.3936 33.95416
448.8757 37.02671
449.3578 39.32014
449.8400 41.10651
450.3221 43.64925
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