#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:23 +0300 (Thu, 24 May 2018) $
#$Revision: 888 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000367.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_1000367
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 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            R050561.rod
_rod_data_source.block           3500000
_rod_database.code               1000367
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
97.99145 0.0000000E+00
98.47356 0.5890960
98.95568 1.298187
99.43780 1.925125
99.91991 2.215569
100.4020 1.498199
100.8841 0.7202380
101.3663 0.2043760
101.8484 2.2864999E-02
102.3305 0.1174470
102.8126 0.1714320
103.2947 0.1962430
103.7768 0.5422440
104.2590 1.731964
104.7411 2.340530
105.2232 2.463562
105.7053 2.090012
106.1874 1.603104
106.6695 1.324158
107.1517 1.345322
107.6338 1.404320
108.1159 1.316742
108.5980 1.036896
109.0801 0.6680150
109.5622 2.8259000E-02
110.0444 0.4078670
110.5265 0.1921460
111.0086 0.7358250
111.4907 1.748428
111.9728 2.067848
112.4549 1.471611
112.9371 0.9333040
113.4192 0.4311830
113.9013 0.1485370
114.3834 0.3605880
114.8655 1.171951
115.3476 2.274048
115.8298 2.828766
116.3119 2.303314
116.7940 1.829918
117.2761 1.421013
117.7582 1.147217
118.2403 1.123512
118.7225 1.433586
119.2046 2.032776
119.6867 2.500206
120.1688 2.867058
120.6509 3.112404
121.1330 3.101555
121.6152 2.897438
122.0973 2.775444
122.5794 2.994583
123.0615 3.565231
123.5436 4.033531
124.0257 4.403587
124.5079 4.723839
124.9900 4.837868
125.4721 4.760612
125.9542 4.715202
126.4363 4.861122
126.9184 5.192078
127.4006 5.581627
127.8827 5.791809
128.3648 5.946640
128.8469 6.076195
129.3290 6.187019
129.8111 6.208740
130.2932 6.120834
130.7754 5.916000
131.2575 5.671700
131.7396 5.464294
132.2217 5.057266
132.7038 4.869179
133.1859 5.175880
133.6681 5.421837
134.1502 5.540924
134.6323 5.587875
135.1144 5.672432
135.5965 5.667458
136.0786 5.672729
136.5608 5.940536
137.0429 6.573242
137.5250 7.275780
138.0071 7.864273
138.4892 8.233269
138.9713 8.338814
139.4535 8.260872
139.9356 8.306190
140.4177 8.129257
140.8998 7.584862
141.3819 6.670395
141.8640 5.848183
142.3462 5.266182
142.8283 4.877762
143.3104 4.546791
143.7925 4.206963
144.2746 4.002777
144.7567 4.087952
145.2388 4.395119
145.7210 4.641327
146.2031 4.694984
146.6852 4.588234
147.1673 4.424622
147.6494 4.195000
148.1315 3.928406
148.6137 3.676720
149.0958 3.455086
149.5779 3.129654
150.0600 2.246849
150.5421 1.357269
151.0242 1.115532
151.5064 1.955994
151.9885 3.264038
152.4706 3.678238
152.9527 2.549171
153.4348 1.747841
153.9169 2.269371
154.3991 3.289749
154.8812 3.730331
155.3633 2.871033
155.8454 1.106407
156.3275 0.1415940
156.8096 0.9416280
157.2918 1.608513
157.7739 1.675636
158.2560 1.337448
158.7381 0.9756010
159.2202 0.8745190
159.7023 1.043762
160.1845 1.149582
160.6666 1.219856
161.1487 1.212311
161.6308 1.050438
162.1129 0.7775570
162.5950 0.5398180
163.0772 0.4806980
163.5593 0.6337280
164.0414 0.6185910
164.5235 0.2026060
165.0056 0.1899260
165.4877 0.1868290
165.9698 0.2267300
166.4520 0.6533280
166.9341 0.6192860
167.4162 0.1198880
167.8983 0.1310810
168.3804 0.2407380
168.8625 0.8491740
169.3447 1.199867
169.8268 1.210625
170.3089 1.012016
170.7910 0.5841980
171.2731 1.7240000E-03
171.7552 0.4065930
172.2374 0.3316880
172.7195 3.9406002E-02
173.2016 0.1109470
173.6837 0.4154660
174.1658 0.8987120
174.6479 0.8214570
175.1301 0.2972340
175.6122 0.2432630
176.0943 0.5504380
176.5764 0.6303180
177.0585 0.5193100
177.5406 2.5589000E-02
178.0228 0.5445480
178.5049 0.8705830
178.9870 0.9861300
179.4691 0.9041290
179.9512 0.5610050
180.4333 0.1432570
180.9155 0.6589200
181.3976 1.023750
181.8797 1.174545
182.3618 0.8607410
182.8439 0.1825490
183.3260 0.4017260
183.8082 0.2643050
184.2903 1.032089
184.7724 1.916618
185.2545 2.198570
185.7366 2.303177
186.2187 2.516861
186.7009 2.883110
187.1830 3.221840
187.6651 3.251045
188.1472 2.674911
188.6293 2.417252
189.1114 2.680107
189.5936 3.133247
190.0757 3.562256
190.5578 3.899475
191.0399 4.078987
191.5220 3.937508
192.0041 3.272713
192.4863 2.854088
192.9684 2.979462
193.4505 3.324692
193.9326 3.436028
194.4147 3.148224
194.8968 2.741409
195.3790 2.696075
195.8611 3.005798
196.3432 3.401993
196.8253 3.866905
197.3074 4.379410
197.7895 4.867645
198.2717 5.260483
198.7538 5.594048
199.2359 5.964775
199.7180 6.400368
200.2001 6.817657
200.6822 7.000053
201.1644 7.082893
201.6465 7.695892
202.1286 9.335472
202.6107 11.09375
203.0928 12.23457
203.5749 12.77786
204.0571 12.94663
204.5392 12.78323
205.0213 12.23146
205.5034 11.41377
205.9855 10.27454
206.4676 8.998146
206.9497 7.559975
207.4319 6.005363
207.9140 4.614357
208.3961 3.714264
208.8782 3.375923
209.3603 3.137863
209.8424 3.069405
210.3246 2.997986
210.8067 2.726273
211.2888 2.287987
211.7709 1.984924
212.2530 2.265053
212.7351 3.422585
213.2173 4.199913
213.6994 4.555817
214.1815 4.551811
214.6636 4.053062
215.1457 3.137489
215.6278 2.246010
216.1100 1.996483
216.5921 2.722427
217.0742 3.291397
217.5563 3.742805
218.0384 4.057770
218.5205 4.171738
219.0027 4.100311
219.4848 3.970139
219.9669 3.949760
220.4490 4.086700
220.9311 4.233330
221.4132 4.432167
221.8954 4.618286
222.3775 4.737152
222.8596 4.772079
223.3417 4.754234
223.8238 4.699608
224.3059 4.518578
224.7881 4.533722
225.2702 4.781914
225.7523 5.175499
226.2344 5.782471
226.7165 6.586533
227.1986 7.290100
227.6807 7.479729
228.1629 7.004120
228.6450 6.730331
229.1271 6.837524
229.6092 7.082008
230.0913 7.264290
230.5734 7.361633
231.0556 7.406235
231.5377 7.432556
232.0198 7.443253
232.5019 7.329727
232.9840 6.899879
233.4661 6.442505
233.9483 6.232483
234.4304 6.281136
234.9125 6.681343
235.3946 7.820366
235.8767 9.484985
236.3588 10.79021
236.8410 11.51138
237.3231 11.76994
237.8052 11.61169
238.2873 10.91737
238.7694 10.31180
239.2515 10.57077
239.7337 11.32401
240.2158 11.74943
240.6979 11.30815
241.1800 10.38910
241.6621 9.854843
242.1442 9.928940
242.6264 9.896217
243.1085 9.190002
243.5906 8.107079
244.0727 7.110085
244.5548 6.413246
245.0369 5.908913
245.5191 5.363365
246.0012 4.739113
246.4833 4.166672
246.9654 3.755142
247.4475 3.419235
247.9296 3.037865
248.4117 2.528130
248.8939 1.973938
249.3760 1.569908
249.8581 1.382225
250.3402 1.211205
250.8223 0.9705660
251.3044 0.7105940
251.7866 0.4844210
252.2687 0.3122250
252.7508 0.1901470
253.2329 0.1548690
253.7150 0.3836820
254.1971 0.3136370
254.6793 0.5828930
255.1614 1.619781
255.6435 2.060188
256.1256 1.583801
256.6077 0.6363070
257.0898 0.1390760
257.5720 0.2380370
258.0541 0.5481410
258.5362 1.282730
259.0183 2.011360
259.5004 2.278389
259.9825 1.939819
260.4647 1.365715
260.9468 1.338043
261.4289 2.500923
261.9110 2.906868
262.3931 2.108559
262.8752 0.8410420
263.3574 0.4090350
263.8395 1.489250
264.3216 2.436905
264.8037 3.323502
265.2858 4.180145
265.7679 4.897270
266.2501 5.102913
266.7322 5.445496
267.2143 6.364265
267.6964 7.931107
268.1785 9.941513
268.6606 12.16400
269.1428 14.71902
269.6249 17.15689
270.1070 19.26324
270.5891 21.43938
271.0712 24.02927
271.5533 26.99509
272.0355 29.94394
272.5176 32.40777
272.9997 34.17319
273.4818 36.31199
273.9639 39.22269
274.4460 42.07931
274.9282 44.32596
275.4103 46.05244
275.8924 47.76431
276.3745 49.93938
276.8566 52.65457
277.3387 55.13245
277.8208 56.95198
278.3029 58.99861
278.7851 61.66459
279.2672 64.90813
279.7493 68.49807
280.2314 72.28853
280.7135 76.26884
281.1956 80.36359
281.6778 84.43993
282.1599 88.75301
282.6420 93.15400
283.1241 97.85670
283.6062 103.3440
284.0883 109.9374
284.5705 117.5155
285.0526 125.1290
285.5347 132.9955
286.0168 140.6835
286.4989 148.2047
286.9810 155.4637
287.4632 162.3395
287.9453 168.8020
288.4274 174.7825
288.9095 180.1876
289.3916 186.5521
289.8737 190.1881
290.3559 190.2452
290.8380 187.2812
291.3201 181.8473
291.8022 174.1010
292.2843 164.3949
292.7664 152.9286
293.2486 138.8701
293.7307 125.1767
294.2128 111.7020
294.6949 98.92997
295.1770 87.37510
295.6591 77.11066
296.1413 68.03426
296.6234 60.03703
297.1055 53.25143
297.5876 47.41846
298.0697 42.58753
298.5518 38.67314
299.0340 35.78632
299.5161 33.89565
299.9982 32.48440
300.4803 31.05556
300.9624 29.61111
301.4445 28.78387
301.9267 29.09792
302.4088 29.59267
302.8909 29.57580
303.3730 29.09512
303.8551 28.67863
304.3372 28.66554
304.8194 29.06254
305.3015 29.69981
305.7836 30.80478
306.2657 31.90074
306.7478 32.51869
307.2299 32.89923
307.7121 33.76004
308.1942 35.47587
308.6763 37.93585
309.1584 40.75784
309.6405 44.07050
310.1227 47.46584
310.6048 50.74355
311.0869 54.01807
311.5690 57.35677
312.0511 60.69102
312.5332 64.35327
313.0154 69.10315
313.4975 75.19733
313.9796 81.49770
314.4617 87.61987
314.9438 93.87440
315.4259 100.7840
315.9081 108.4651
316.3902 116.5488
316.8723 124.7586
317.3544 133.2199
317.8365 141.2581
318.3186 149.9295
318.8007 157.4609
319.2828 162.6560
319.7650 165.3463
320.2471 164.9318
320.7292 160.4582
321.2113 151.6500
321.6934 142.2162
322.1755 131.6001
322.6577 120.8193
323.1398 110.2316
323.6219 99.97297
324.1040 90.31023
324.5861 81.60009
325.0682 73.58776
325.5504 65.29373
326.0325 55.69672
326.5146 46.96431
326.9967 39.86446
327.4788 34.16071
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328.4431 25.25546
328.9252 21.80669
329.4073 18.98463
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330.3715 15.24881
330.8536 15.12130
331.3358 15.41203
331.8179 14.87625
332.3000 13.21798
332.7821 11.20244
333.2642 9.715439
333.7463 8.767265
334.2285 8.429840
334.7106 9.139503
335.1927 10.23634
335.6748 11.20408
336.1569 11.93198
336.6390 12.52393
337.1212 13.03194
337.6033 13.47552
338.0854 14.43969
338.5675 16.50337
339.0496 18.42949
339.5317 19.45404
340.0139 19.77356
340.4960 20.02744
340.9781 20.59298
341.4602 21.50140
341.9423 22.85424
342.4244 25.23381
342.9066 27.28653
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344.3529 30.18151
344.8350 31.26743
345.3171 32.57292
345.7993 34.07706
346.2814 35.85948
346.7635 37.74380
347.2456 39.49292
347.7277 41.47511
348.2098 44.05821
348.6920 47.26028
349.1741 50.81072
349.6562 54.31615
350.1383 57.63583
350.6204 61.82649
351.1025 67.84261
351.5847 73.70218
352.0668 78.17801
352.5489 81.54948
353.0310 84.87830
353.5131 88.91586
353.9952 93.56975
354.4774 97.98215
354.9595 102.5300
355.4416 106.3910
355.9237 109.4961
356.4058 111.7843
356.8879 113.3617
357.3701 114.2682
357.8522 114.1265
358.3343 111.9916
358.8164 106.4122
359.2985 100.9277
359.7806 95.90804
360.2627 90.80692
360.7448 85.21897
361.2270 79.05641
361.7091 72.53571
362.1912 65.73558
362.6733 58.36003
363.1554 52.05764
363.6375 47.20972
364.1197 42.99684
364.6018 39.24873
365.0839 35.85738
365.5660 32.76315
366.0481 29.90838
366.5302 27.30444
367.0124 25.04074
367.4945 23.13537
367.9766 21.60475
368.4587 20.62984
368.9408 19.94466
369.4229 19.29903
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370.8693 16.63815
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372.3156 13.37613
372.7978 13.31476
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374.2441 11.10544
374.7262 9.798851
375.2083 8.192757
375.6905 7.093231
376.1726 7.012543
376.6547 6.875496
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382.4401 1.783348
382.9222 1.352379
383.4043 0.7052150
383.8864 0.1548540
384.3686 0.8179550
384.8507 1.216248
385.3328 1.341599
385.8149 1.058098
386.2970 0.4354250
386.7791 4.9072001E-02
387.2613 0.5263670
387.7434 1.435043
388.2255 1.652672
388.7076 0.9260560
389.1897 0.1303480
389.6718 1.6144000E-02
390.1540 0.2051240
390.6361 0.2165680
391.1182 0.4229050
391.6003 0.9709630
392.0824 0.5628660
392.5645 0.6847150
393.0467 1.711456
393.5288 2.015465
394.0109 1.914925
394.4930 2.040688
394.9751 2.484444
395.4572 2.785309
395.9394 2.811462
396.4215 2.565811
396.9036 1.971031
397.3857 0.9763340
397.8678 8.5831001E-02
398.3499 0.8579710
398.8321 1.315910
399.3142 1.858154
399.7963 2.526718
400.2784 3.268288
400.7605 4.225845
401.2426 5.278221
401.7247 5.845505
402.2068 5.408783
402.6890 4.384354
403.1711 4.695618
403.6532 7.544998
404.1353 10.00984
404.6174 11.55710
405.0995 12.45590
405.5817 12.80950
406.0638 12.69258
406.5459 12.61838
407.0280 13.36887
407.5101 15.36125
407.9922 16.85133
408.4744 17.31906
408.9565 17.80962
409.4386 19.01071
409.9207 20.77010
410.4028 22.47288
410.8849 23.67594
411.3671 24.46082
411.8492 25.49199
412.3313 26.83724
412.8134 28.37260
413.2955 30.28375
413.7776 32.27751
414.2598 34.03696
414.7419 35.46262
415.2240 36.71445
415.7061 38.10719
416.1882 39.84071
416.6703 41.02804
417.1525 41.78175
417.6346 41.81856
418.1167 40.86955
418.5988 39.03514
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