#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:03 +0300 (Thu, 24 May 2018) $
#$Revision: 680 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000200.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_1000200
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        R050626
_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            R050626.rod
_rod_data_source.block           3500000
_rod_database.code               1000200
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
98.85901 0.0000000E+00
99.34113 0.1978750
99.82324 0.2368910
100.3054 8.8138998E-02
100.7875 1.4352000E-02
101.2696 4.5430999E-02
101.7517 0.1865240
102.2338 0.2780950
102.7159 0.3293170
103.1981 0.3674200
103.6802 0.3496580
104.1623 0.2754010
104.6444 0.2183340
105.1265 0.2123270
105.6086 0.3181270
106.0908 0.3536040
106.5729 0.2544700
107.0550 0.1359220
107.5371 4.7006998E-02
108.0192 1.3910000E-02
108.5013 1.2107000E-02
108.9835 4.9345002E-02
109.4656 9.5801003E-02
109.9477 8.2470998E-02
110.4298 8.9161001E-02
110.9119 0.2660640
111.3940 0.3483450
111.8762 0.2085190
112.3583 9.8352998E-02
112.8404 7.2725996E-02
113.3225 0.1425810
113.8046 0.1970100
114.2867 0.1834350
114.7689 0.1598220
115.2510 0.1886220
115.7331 0.2796960
116.2152 0.4292030
116.6973 0.6773260
117.1794 1.074219
117.6616 1.361246
118.1437 1.393658
118.6258 1.260124
119.1079 1.105374
119.5900 0.8828950
120.0721 0.7235830
120.5543 0.7484690
121.0364 1.057625
121.5185 1.348217
122.0006 1.357294
122.4827 1.182157
122.9648 1.102320
123.4470 1.392220
123.9291 1.822119
124.4112 2.123466
124.8933 2.184067
125.3754 2.175663
125.8575 2.280584
126.3397 2.480962
126.8218 2.668200
127.3039 2.705361
127.7860 2.672617
128.2681 2.736079
128.7502 2.977284
129.2324 3.315301
129.7145 3.633041
130.1966 3.932230
130.6787 4.182467
131.1608 4.371836
131.6429 4.493126
132.1251 4.512294
132.6072 4.336360
133.0893 4.052999
133.5714 3.988253
134.0535 4.173121
134.5356 4.431993
135.0178 4.538676
135.4999 4.488904
135.9820 4.448453
136.4641 4.461858
136.9462 4.529723
137.4283 4.697713
137.9105 4.990343
138.3926 5.341902
138.8747 5.659001
139.3568 5.956235
139.8389 6.171867
140.3210 6.265443
140.8032 6.217338
141.2853 6.156225
141.7674 6.087302
142.2495 6.003245
142.7316 5.860782
143.2137 5.561470
143.6959 5.278594
144.1780 5.171186
144.6601 5.315606
145.1422 5.423010
145.6243 5.440638
146.1064 5.415251
146.5886 5.551557
147.0707 6.034487
147.5528 6.469479
148.0349 6.634373
148.5170 6.392458
148.9991 6.108348
149.4813 5.731771
149.9634 5.287421
150.4455 5.047276
150.9276 5.236423
151.4097 5.471708
151.8918 5.514750
152.3740 5.088097
152.8561 4.789459
153.3382 4.734875
153.8203 4.916354
154.3024 5.018912
154.7845 5.015744
155.2667 4.943011
155.7488 4.802853
156.2309 4.512192
156.7130 4.315549
157.1951 4.291771
157.6772 4.449089
158.1594 4.570057
158.6415 4.595453
159.1236 4.573145
159.6057 4.553129
160.0878 4.516290
160.5699 4.502747
161.0521 4.529171
161.5342 4.606584
162.0163 4.663928
162.4984 4.684390
162.9805 4.676298
163.4626 4.650927
163.9448 4.510400
164.4269 4.417518
164.9090 4.483452
165.3911 4.762743
165.8732 5.018505
166.3553 5.142160
166.8375 5.160289
167.3196 5.120964
167.8017 4.926620
168.2838 4.770236
168.7659 4.827628
169.2480 5.179327
169.7302 5.515989
170.2123 5.661096
170.6944 5.640054
171.1765 5.507615
171.6586 5.162700
172.1407 4.788692
172.6229 4.590830
173.1050 4.626537
173.5871 4.695188
174.0692 4.596962
174.5513 4.384804
175.0334 4.205552
175.5156 4.161669
175.9977 4.196583
176.4798 4.238455
176.9619 4.290407
177.4440 4.328171
177.9261 4.296104
178.4083 4.212227
178.8904 4.154318
179.3725 4.216398
179.8546 4.335716
180.3367 4.385033
180.8188 4.324171
181.3010 4.214920
181.7831 4.125158
182.2652 4.055871
182.7473 4.013945
183.2294 3.984446
183.7115 3.984105
184.1937 4.071631
184.6758 4.299298
185.1579 4.571445
185.6400 4.714971
186.1221 4.733119
186.6042 4.747485
187.0864 4.824705
187.5685 4.970493
188.0506 5.223542
188.5327 5.659727
189.0148 6.150914
189.4969 6.432415
189.9791 6.498210
190.4612 6.451290
190.9433 6.404797
191.4254 6.342733
191.9075 6.104251
192.3896 5.587500
192.8718 4.908137
193.3539 4.383486
193.8360 4.019338
194.3181 3.759160
194.8002 3.525779
195.2823 3.313927
195.7645 3.252301
196.2466 3.436945
196.7287 3.782638
197.2108 3.929869
197.6929 3.853207
198.1750 3.691696
198.6572 3.555933
199.1393 3.446576
199.6214 3.380675
200.1035 3.374487
200.5856 3.417467
201.0677 3.421988
201.5499 3.361036
202.0320 3.349245
202.5141 3.530491
202.9962 3.931456
203.4783 4.316485
203.9604 4.650307
204.4426 4.927989
204.9247 5.117825
205.4068 5.235578
205.8889 5.224120
206.3710 5.001484
206.8531 4.537814
207.3353 4.011626
207.8174 3.426584
208.2995 2.795275
208.7816 2.298642
209.2637 1.965732
209.7458 1.717809
210.2280 1.459957
210.7101 1.156528
211.1922 0.9851980
211.6743 1.059522
212.1564 1.362406
212.6385 1.374242
213.1207 0.9810470
213.6028 0.4800640
214.0849 0.1843230
214.5670 0.1539820
215.0491 0.1525380
215.5313 0.1457950
216.0134 0.1334710
216.4955 4.8512001E-02
216.9776 0.1597480
217.4597 0.3713680
217.9418 0.4478950
218.4240 0.3269970
218.9061 0.2339260
219.3882 0.2199390
219.8703 0.2862510
220.3524 0.3680700
220.8345 0.4989240
221.3167 0.6042770
221.7988 0.5797840
222.2809 0.3189650
222.7630 0.1872070
223.2451 0.3257510
223.7272 0.7414280
224.2094 0.9191070
224.6915 0.7569550
225.1736 0.4718110
225.6557 0.2798750
226.1378 0.1946350
226.6199 0.1640900
227.1021 0.1904020
227.5842 0.2732650
228.0663 0.3453790
228.5484 0.3807230
229.0305 0.4333910
229.5126 0.5811830
229.9948 0.9558370
230.4769 1.151709
230.9590 1.039128
231.4411 0.6194370
231.9232 0.3234830
232.4053 0.2007750
232.8875 0.1435690
233.3696 6.1815999E-02
233.8517 3.8876999E-02
234.3338 0.1707650
234.8159 0.3014300
235.2980 0.4367320
235.7802 0.7738450
236.2623 1.399824
236.7444 2.133156
237.2265 2.830144
237.7086 3.482954
238.1907 4.119670
238.6729 4.776249
239.1550 5.443115
239.6371 5.962454
240.1192 6.383059
240.6013 6.602547
241.0834 6.506012
241.5656 5.927229
242.0477 5.363245
242.5298 4.887634
243.0119 4.488134
243.4940 4.031355
243.9761 3.459305
244.4583 2.898058
244.9404 2.450451
245.4225 2.205709
245.9046 1.887348
246.3867 1.419682
246.8688 0.8375450
247.3510 0.3800740
247.8331 6.1388001E-02
248.3152 0.1508410
248.7973 0.2643280
249.2794 0.2224030
249.7615 0.1955680
250.2437 0.1698840
250.7258 0.1659980
251.2079 0.3091550
251.6900 0.7192730
252.1721 1.106094
252.6542 1.293585
253.1364 1.204266
253.6185 1.095629
254.1006 0.9856220
254.5827 0.8673930
255.0648 0.7153470
255.5469 0.5172060
256.0291 0.3092120
256.5112 0.1159000
256.9933 4.0403001E-02
257.4754 0.2493880
257.9575 0.5462320
258.4396 0.8889370
258.9218 1.129980
259.4039 1.201414
259.8860 1.301228
260.3681 1.529703
260.8502 1.929604
261.3323 2.337408
261.8145 2.737650
262.2966 3.150667
262.7787 3.627869
263.2608 4.177647
263.7429 4.776993
264.2250 5.455772
264.7072 6.262852
265.1893 6.884226
265.6714 7.179573
266.1535 7.402658
266.6356 8.018290
267.1177 9.118483
267.5999 10.38661
268.0820 11.69029
268.5641 13.01830
269.0462 14.53803
269.5283 16.30586
270.0104 18.23888
270.4926 20.10599
270.9747 21.70156
271.4568 23.99310
271.9389 27.39359
272.4210 31.97360
272.9031 36.68052
273.3853 41.46865
273.8674 46.47248
274.3495 51.69551
274.8316 57.14470
275.3137 62.90393
275.7958 69.45486
276.2780 76.61383
276.7601 82.06741
277.2422 85.64662
277.7243 87.93194
278.2064 88.95327
278.6885 88.42214
279.1707 89.14362
279.6528 91.94966
280.1349 96.55511
280.6170 101.2999
281.0991 106.0109
281.5812 111.4906
282.0634 118.5358
282.5455 127.2855
283.0276 136.3991
283.5097 145.4228
283.9918 154.7542
284.4739 165.6181
284.9561 178.0395
285.4382 191.7870
285.9203 206.5205
286.4024 222.1781
286.8845 240.1100
287.3666 260.6213
287.8488 283.0056
288.3309 306.0162
288.8130 329.6857
289.2951 353.2337
289.7772 378.0248
290.2593 402.8434
290.7415 422.5684
291.2236 437.1348
291.7057 444.9567
292.1878 443.3191
292.6699 432.3376
293.1520 413.2634
293.6342 383.9447
294.1163 346.7245
294.5984 309.7289
295.0805 272.7018
295.5626 237.4884
296.0447 205.3817
296.5269 176.4397
297.0090 150.8627
297.4911 129.3281
297.9732 111.2339
298.4553 96.06143
298.9374 83.91621
299.4196 73.82702
299.9017 65.31454
300.3838 58.23713
300.8659 52.31317
301.3480 47.64449
301.8301 44.01723
302.3123 41.29545
302.7944 39.44016
303.2765 38.03062
303.7586 36.88870
304.2407 35.91835
304.7228 34.90618
305.2050 33.68319
305.6871 32.50374
306.1692 31.62373
306.6513 31.03156
307.1334 30.74190
307.6155 30.87647
308.0977 31.27469
308.5798 31.69541
309.0619 31.95556
309.5440 32.44724
310.0261 33.48294
310.5082 35.01784
310.9904 36.90039
311.4725 39.11355
311.9546 41.61765
312.4367 44.35666
312.9188 47.26181
313.4009 50.56219
313.8831 53.96926
314.3652 57.85191
314.8473 62.95040
315.3294 69.69749
315.8115 77.72624
316.2936 86.90309
316.7758 97.25370
317.2579 108.4218
317.7400 120.9476
318.2221 134.0629
318.7042 147.0394
319.1863 160.5455
319.6685 173.0525
320.1506 185.0719
320.6327 196.6439
321.1148 203.4532
321.5969 203.8738
322.0790 199.1689
322.5612 190.3907
323.0433 174.4471
323.5254 157.9250
324.0075 141.6527
324.4896 125.7202
324.9717 111.2298
325.4539 98.20766
325.9360 86.59052
326.4181 76.47389
326.9002 67.83315
327.3823 60.59894
327.8644 55.08184
328.3466 51.01342
328.8287 47.57941
329.3108 45.03102
329.7929 42.85296
330.2750 40.90455
330.7571 39.09987
331.2393 37.66580
331.7214 36.76554
332.2035 36.17192
332.6856 35.53399
333.1677 34.80537
333.6498 34.09399
334.1320 33.44372
334.6141 32.88733
335.0962 32.20879
335.5783 31.29472
336.0604 30.37674
336.5425 29.70506
337.0247 29.37858
337.5068 29.06432
337.9889 28.69481
338.4710 28.27481
338.9531 27.88987
339.4352 27.51210
339.9174 27.20370
340.3995 27.06039
340.8816 27.12072
341.3637 27.09324
341.8458 26.87887
342.3279 26.62356
342.8101 26.72216
343.2922 27.21768
343.7743 27.70960
344.2564 27.88141
344.7385 27.74433
345.2206 27.82834
345.7028 28.20048
346.1849 28.75775
346.6670 29.26899
347.1491 29.73993
347.6312 30.39822
348.1133 31.33824
348.5955 32.56999
349.0776 34.11983
349.5597 36.00491
350.0418 38.17161
350.5239 40.42757
351.0060 42.89713
351.4882 45.90467
351.9703 49.71757
352.4524 53.98909
352.9345 58.01139
353.4166 61.85168
353.8987 66.13340
354.3809 71.49818
354.8630 77.52457
355.3451 83.54617
355.8272 89.58556
356.3093 95.24835
356.7914 100.3789
357.2736 104.9058
357.7557 108.5032
358.2378 111.4066
358.7199 113.0344
359.2020 112.8356
359.6841 110.6857
360.1663 107.0766
360.6484 101.8214
361.1305 95.38564
361.6126 88.42215
362.0947 80.30478
362.5768 72.47473
363.0590 65.54453
363.5411 59.53191
364.0232 53.95565
364.5053 48.62803
364.9874 43.68863
365.4695 39.24572
365.9517 35.51219
366.4338 32.06511
366.9159 28.75880
367.3980 25.63978
367.8801 22.88424
368.3622 20.60043
368.8444 18.65566
369.3265 17.02396
369.8086 15.88358
370.2907 14.72962
370.7728 13.49322
371.2549 12.23933
371.7371 11.11696
372.2192 10.16322
372.7013 9.332497
373.1834 8.623140
373.6655 8.020662
374.1476 7.411560
374.6298 6.800154
375.1119 6.234291
375.5940 5.759024
376.0761 5.406870
376.5582 4.996464
377.0403 4.448139
377.5225 3.838913
378.0046 3.472166
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378.9688 3.410339
379.4509 3.468330
379.9330 3.564989
380.4152 3.734938
380.8973 3.985085
381.3794 4.254234
381.8615 4.488724
382.3436 4.689966
382.8257 4.746496
383.3079 4.583532
383.7900 4.235512
384.2721 3.776419
384.7542 3.199759
385.2363 2.611128
385.7184 2.059401
386.2006 1.575314
386.6827 1.214666
387.1648 1.047991
387.6469 0.9662190
388.1290 0.8375590
388.6111 0.6692120
389.0933 0.4976880
389.5754 0.3136940
390.0575 0.1518250
390.5396 5.3521998E-02
391.0217 3.5246000E-02
391.5038 4.6719000E-02
391.9860 5.9751999E-02
392.4681 7.6948002E-02
392.9502 0.1018600
393.4323 0.2853110
393.9144 0.3597450
394.3965 9.0147004E-02
394.8787 0.5554030
395.3608 1.109528
395.8429 1.406864
396.3250 1.542439
396.8071 1.603477
397.2892 1.515398
397.7714 1.456362
398.2535 1.452982
398.7356 1.506199
399.2177 1.618925
399.6998 1.922268
400.1819 2.178288
400.6641 2.290641
401.1462 2.252006
401.6283 2.073229
402.1104 1.636229
402.5925 1.111544
403.0746 0.7724530
403.5568 0.7526800
404.0389 0.6840000
404.5210 0.4416310
405.0031 2.3481000E-02
405.4852 0.2565770
405.9673 0.3505990
406.4495 0.4025780
406.9316 0.5360850
407.4137 0.7592120
407.8958 0.9646550
408.3779 1.077969
408.8600 1.222107
409.3422 1.878697
409.8243 3.098261
410.3064 4.012916
410.7885 3.795063
411.2706 2.766826
411.7527 2.527329
412.2349 3.197537
412.7170 4.289999
413.1991 5.396967
413.6812 6.484978
414.1633 7.410673
414.6454 8.113573
415.1276 8.633970
415.6097 8.900928
416.0918 8.958957
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