#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:27 +0300 (Thu, 24 May 2018) $
#$Revision: 889 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000368.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_1000368
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 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            R050626.rod
_rod_data_source.block           3500000
_rod_database.code               1000368
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
102.3305 0.0000000E+00
102.8126 7.5324997E-02
103.2947 0.2366710
103.7768 0.3231960
104.2590 0.1394580
104.7411 0.1141890
105.2232 0.5978320
105.7053 1.574966
106.1874 2.581703
106.6695 3.067253
107.1517 3.088638
107.6338 3.639141
108.1159 4.231457
108.5980 4.438347
109.0801 4.505013
109.5622 4.124672
110.0444 3.585194
110.5265 3.239891
111.0086 3.160938
111.4907 3.010880
111.9728 2.296436
112.4549 0.7124100
112.9371 0.3644100
113.4192 0.3204570
113.9013 0.1231840
114.3834 0.4659350
114.8655 0.4986650
115.3476 0.3510780
115.8298 0.3801000
116.3119 0.7532350
116.7940 1.131641
117.2761 1.573692
117.7582 1.997269
118.2403 2.240608
118.7225 2.248730
119.2046 2.067440
119.6867 2.000256
120.1688 2.124851
120.6509 2.222614
121.1330 2.167152
121.6152 2.025593
122.0973 1.970745
122.5794 2.132843
123.0615 2.545040
123.5436 2.869324
124.0257 3.079201
124.5079 3.160683
124.9900 3.093121
125.4721 2.866104
125.9542 2.622227
126.4363 2.620457
126.9184 2.820179
127.4006 2.948132
127.8827 3.004517
128.3648 3.033394
128.8469 3.093334
129.3290 3.225101
129.8111 3.317619
130.2932 3.329014
130.7754 3.266716
131.2575 3.136101
131.7396 2.842503
132.2217 2.334476
132.7038 2.058334
133.1859 2.301346
133.6681 2.604748
134.1502 2.802837
134.6323 2.857887
135.1144 2.799263
135.5965 2.675045
136.0786 2.355652
136.5608 2.299469
137.0429 2.697388
137.5250 3.165867
138.0071 3.434788
138.4892 3.417542
138.9713 3.197208
139.4535 2.913837
139.9356 2.409798
140.4177 2.029205
140.8998 1.793766
141.3819 1.689465
141.8640 1.787647
142.3462 2.188343
142.8283 2.708012
143.3104 2.854130
143.7925 2.506939
144.2746 2.096432
144.7567 1.736198
145.2388 1.442066
145.7210 1.285976
146.2031 1.348549
146.6852 1.557594
147.1673 1.742508
147.6494 1.881599
148.1315 2.019527
148.6137 2.286964
149.0958 2.731236
149.5779 2.935593
150.0600 2.334995
150.5421 1.516300
151.0242 1.056164
151.5064 1.201023
151.9885 1.678383
152.4706 2.003944
152.9527 2.150501
153.4348 2.197155
153.9169 2.122147
154.3991 1.999557
154.8812 1.928871
155.3633 2.022346
155.8454 2.300003
156.3275 2.586105
156.8096 2.748371
157.2918 2.829456
157.7739 2.973354
158.2560 3.161667
158.7381 3.363491
159.2202 3.543797
159.7023 3.638081
160.1845 3.816280
160.6666 4.080444
161.1487 4.404362
161.6308 4.858898
162.1129 5.393314
162.5950 5.848442
163.0772 6.063122
163.5593 6.023487
164.0414 6.007919
164.5235 6.003521
165.0056 6.028053
165.4877 6.038044
165.9698 6.039394
166.4520 6.180336
166.9341 6.727478
167.4162 7.673126
167.8983 8.289574
168.3804 8.376629
168.8625 8.129974
169.3447 7.690651
169.8268 7.005688
170.3089 6.414307
170.7910 6.385731
171.2731 6.800583
171.7552 7.155708
172.2374 7.187412
172.7195 6.982235
173.2016 6.794109
173.6837 6.684738
174.1658 6.548786
174.6479 6.254574
175.1301 5.849297
175.6122 5.513062
176.0943 5.381817
176.5764 5.447788
177.0585 5.569710
177.5406 5.896866
178.0228 6.128040
178.5049 5.988281
178.9870 5.564526
179.4691 5.223206
179.9512 5.461441
180.4333 6.526577
180.9155 7.025990
181.3976 6.357239
181.8797 5.619545
182.3618 5.299763
182.8439 5.439716
183.3260 5.796021
183.8082 6.065933
184.2903 6.157707
184.7724 6.418362
185.2545 6.839146
185.7366 7.392162
186.2187 8.147953
186.7009 9.079746
187.1830 10.00229
187.6651 10.64036
188.1472 10.84794
188.6293 11.03408
189.1114 11.36538
189.5936 11.58528
190.0757 11.42202
190.5578 10.80984
191.0399 9.963276
191.5220 9.198696
192.0041 8.547478
192.4863 7.891697
192.9684 7.168602
193.4505 6.452637
193.9326 5.825188
194.4147 5.308571
194.8968 4.907837
195.3790 4.660152
195.8611 4.560009
196.3432 4.501690
196.8253 4.538651
197.3074 4.590462
197.7895 4.455166
198.2717 4.019653
198.7538 3.485359
199.2359 3.078697
199.7180 2.790413
200.2001 2.639477
200.6822 2.666889
201.1644 2.847206
201.6465 3.065132
202.1286 3.289227
202.6107 3.558941
203.0928 4.013016
203.5749 4.644749
204.0571 5.049278
204.5392 4.760056
205.0213 3.788773
205.5034 3.045662
205.9855 2.916042
206.4676 2.874702
206.9497 2.608913
207.4319 2.101559
207.9140 1.500134
208.3961 0.9200360
208.8782 0.3517950
209.3603 0.1101000
209.8424 0.4635890
210.3246 0.6922650
210.8067 0.6864550
211.2888 0.4818880
211.7709 0.3000680
212.2530 0.4422380
212.7351 1.049908
213.2173 1.532978
213.6994 1.859093
214.1815 2.089394
214.6636 2.258602
215.1457 2.369736
215.6278 2.400806
216.1100 2.309483
216.5921 2.025166
217.0742 1.789108
217.5563 1.555313
218.0384 1.387230
218.5205 1.383453
219.0027 1.529781
219.4848 1.665779
219.9669 1.556446
220.4490 1.007454
220.9311 0.7151490
221.4132 0.8740840
221.8954 1.127434
222.3775 1.191574
222.8596 1.025082
223.3417 0.8117490
223.8238 0.7918400
224.3059 1.068195
224.7881 1.269058
225.2702 1.418499
225.7523 1.479836
226.2344 1.377090
226.7165 1.105133
227.1986 0.8110890
227.6807 0.6951560
228.1629 0.8175740
228.6450 0.7989880
229.1271 0.6047480
229.6092 0.2628560
230.0913 0.2112200
230.5734 0.8144380
231.0556 1.506985
231.5377 2.267117
232.0198 3.092724
232.5019 3.901344
232.9840 4.546898
233.4661 5.220135
233.9483 6.150768
234.4304 7.375492
234.9125 8.819481
235.3946 10.37376
235.8767 12.06355
236.3588 14.17267
236.8410 17.19778
237.3231 20.53745
237.8052 23.37908
238.2873 25.68736
238.7694 27.46451
239.2515 28.79856
239.7337 29.64539
240.2158 29.69860
240.6979 28.57122
241.1800 26.65038
241.6621 24.60494
242.1442 22.39893
242.6264 20.16104
243.1085 17.88274
243.5906 15.63295
244.0727 13.53962
244.5548 11.62525
245.0369 9.920364
245.5191 8.505825
246.0012 7.426762
246.4833 6.551708
246.9654 5.977249
247.4475 5.512577
247.9296 4.867851
248.4117 3.815735
248.8939 2.614502
249.3760 1.864185
249.8581 1.748207
250.3402 1.717983
250.8223 1.589077
251.3044 1.422676
251.7866 1.288383
252.2687 1.219673
252.7508 1.185310
253.2329 1.104103
253.7150 0.9185640
254.1971 0.8091130
254.6793 0.8446880
255.1614 0.9528580
255.6435 1.019920
256.1256 0.9870910
256.6077 1.007790
257.0898 1.497116
257.5720 2.938927
258.0541 3.873199
258.5362 3.674095
259.0183 3.196083
259.5004 3.196381
259.9825 3.927177
260.4647 5.033768
260.9468 5.837082
261.4289 6.090027
261.9110 6.517693
262.3931 7.187202
262.8752 8.013824
263.3574 8.900726
263.8395 9.839722
264.3216 10.91219
264.8037 12.25867
265.2858 13.93497
265.7679 15.79529
266.2501 17.64166
266.7322 19.73956
267.2143 22.33585
267.6964 25.43640
268.1785 28.79654
268.6606 32.03279
269.1428 34.76552
269.6249 38.47533
270.1070 43.30305
270.5891 48.71561
271.0712 54.48817
271.5533 60.55971
272.0355 66.91904
272.5176 73.59695
272.9997 80.64887
273.4818 87.62431
273.9639 94.85559
274.4460 101.7633
274.9282 108.4041
275.4103 114.5305
275.8924 119.3800
276.3745 122.1330
276.8566 122.5428
277.3387 123.0527
277.8208 123.1992
278.3029 123.9073
278.7851 125.1490
279.2672 127.1829
279.7493 130.6262
280.2314 135.9839
280.7135 143.2248
281.1956 151.6429
281.6778 161.3658
282.1599 171.8413
282.6420 182.6665
283.1241 194.1140
283.6062 206.6781
284.0883 220.5584
284.5705 235.9516
285.0526 253.5371
285.5347 273.2466
286.0168 294.8469
286.4989 318.0719
286.9810 343.2113
287.4632 371.3533
287.9453 403.3713
288.4274 437.4387
288.9095 468.9386
289.3916 500.7606
289.8737 526.0443
290.3559 545.4905
290.8380 557.0660
291.3201 557.7183
291.8022 546.3603
292.2843 524.3625
292.7664 492.4401
293.2486 446.8528
293.7307 400.5984
294.2128 352.2399
294.6949 305.0426
295.1770 262.2224
295.6591 224.3736
296.1413 191.3124
296.6234 162.9805
297.1055 140.1342
297.5876 120.5048
298.0697 104.8438
298.5518 91.86533
299.0340 80.54258
299.5161 70.77798
299.9982 62.86770
300.4803 57.30214
300.9624 54.38914
301.4445 51.96363
301.9267 50.53264
302.4088 49.18399
302.8909 47.10305
303.3730 44.41187
303.8551 42.06818
304.3372 40.90376
304.8194 40.71258
305.3015 39.58282
305.7836 36.15521
306.2657 33.22154
306.7478 32.20383
307.2299 32.77897
307.7121 33.97723
308.1942 35.38879
308.6763 36.98149
309.1584 38.60612
309.6405 39.99742
310.1227 41.79111
310.6048 44.13014
311.0869 47.01366
311.5690 50.42783
312.0511 54.35640
312.5332 58.79706
313.0154 63.67000
313.4975 68.70051
313.9796 74.82270
314.4617 82.02048
314.9438 90.48076
315.4259 100.4558
315.9081 111.9750
316.3902 125.1286
316.8723 140.4069
317.3544 158.1993
317.8365 176.1147
318.3186 195.5565
318.8007 214.0688
319.2828 230.5658
319.7650 244.7132
320.2471 254.1189
320.7292 256.7876
321.2113 251.9926
321.6934 241.9937
322.1755 223.8421
322.6577 203.2060
323.1398 182.2445
323.6219 161.5424
324.1040 142.1969
324.5861 124.9418
325.0682 109.7203
325.5504 96.59850
326.0325 85.26202
326.5146 75.89822
326.9967 69.08418
327.4788 64.24758
327.9609 60.12273
328.4431 56.15157
328.9252 53.73083
329.4073 50.65321
329.8894 50.59076
330.3715 50.60320
330.8536 50.65312
331.3358 50.48103
331.8179 49.53183
332.3000 47.64811
332.7821 45.66633
333.2642 44.71954
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334.2285 45.52818
334.7106 45.77095
335.1927 46.00514
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336.1569 46.89354
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337.1212 47.57863
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338.0854 48.12785
338.5675 50.28641
339.0496 52.38113
339.5317 53.69366
340.0139 54.30713
340.4960 54.50609
340.9781 54.40057
341.4602 54.13438
341.9423 54.34093
342.4244 55.17367
342.9066 56.10632
343.3887 57.07561
343.8708 58.16748
344.3529 59.40717
344.8350 60.75327
345.3171 62.22623
345.7993 63.94281
346.2814 65.86279
346.7635 68.30009
347.2456 71.27438
347.7277 74.69470
348.2098 78.52473
348.6920 82.73637
349.1741 87.32227
349.6562 92.13954
350.1383 97.06128
350.6204 103.2564
351.1025 110.6828
351.5847 119.1418
352.0668 128.6451
352.5489 139.0527
353.0310 150.1613
353.5131 161.8025
353.9952 173.9462
354.4774 186.5795
354.9595 200.9337
355.4416 214.3112
355.9237 227.2490
356.4058 238.5746
356.8879 246.9806
357.3701 251.8451
357.8522 253.2891
358.3343 251.6183
358.8164 246.4314
359.2985 238.2166
359.7806 226.1708
360.2627 211.9396
360.7448 196.2073
361.2270 179.3714
361.7091 162.4520
362.1912 146.4367
362.6733 131.2257
363.1554 117.4343
363.6375 105.4243
364.1197 94.40107
364.6018 84.06673
365.0839 74.41806
365.5660 65.76650
366.0481 58.32250
366.5302 52.04726
367.0124 46.63311
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367.9766 38.87710
368.4587 34.94028
368.9408 31.13986
369.4229 27.86213
369.9051 25.28728
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370.8693 21.48878
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371.8335 18.70176
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374.2441 10.57124
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381.4759 4.524261
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382.4401 3.211494
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383.4043 2.511589
383.8864 2.992706
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389.1897 0.5676500
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390.1540 1.152542
390.6361 1.499596
391.1182 1.907005
391.6003 2.162376
392.0824 2.072372
392.5645 1.649590
393.0467 0.9760590
393.5288 2.6726000E-02
394.0109 1.153038
394.4930 2.060539
394.9751 2.771603
395.4572 3.242069
395.9394 3.356651
396.4215 3.243481
396.9036 3.066101
397.3857 2.844120
397.8678 2.699074
398.3499 2.838673
398.8321 3.285130
399.3142 3.404583
399.7963 2.739731
400.2784 2.093792
400.7605 2.213120
401.2426 2.921074
401.7247 3.378227
402.2068 3.036640
402.6890 2.102455
403.1711 1.500973
403.6532 1.557583
404.1353 1.486393
404.6174 1.038212
405.0995 0.4309730
405.5817 0.1064190
406.0638 0.4972340
406.5459 0.7191310
407.0280 0.7106440
407.5101 0.3417320
407.9922 0.1612740
408.4744 0.2453190
408.9565 0.4244160
409.4386 0.5783270
409.9207 0.7398830
410.4028 1.043457
410.8849 1.606777
411.3671 2.384346
411.8492 3.032600
412.3313 3.325397
412.8134 3.770847
413.2955 4.530312
413.7776 5.428833
414.2598 6.289471
414.7419 7.052116
415.2240 7.761272
415.7061 8.515610
416.1882 9.396187
416.6703 10.04463
417.1525 10.38984
417.6346 10.53697
418.1167 10.54560
418.5988 10.39365
419.0809 9.994823
419.5630 9.213470
420.0452 8.153023
420.5273 7.250401
421.0094 6.602386
421.4915 5.919922
421.9736 5.001232
422.4557 4.036175
422.9379 3.246456
423.4200 2.703640
423.9021 2.274818
424.3842 1.790443
424.8663 1.259987
425.3484 0.9144170
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