#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:34 +0300 (Thu, 24 May 2018) $
#$Revision: 789 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000285.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_1000285
loop_
_publ_author_name
'Geiger, C. A.'
'Armbruster, T.'
'Lager, G. A.'
'Jiang, K.'
'Lottermoser, W.'
'Amthauer, G.'
_publ_section_title
;
 A combined temperature dependent 57Fe Mossbauer and single crystal X-ray
 diffraction study of synthetic almandine: evidence for the
 Gol'danskii-Karyagin Effect Sample: T = 293 K (B)
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              121
_journal_page_last               126
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        R100046
_chemical_formula_sum            'Al2 Fe3 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.525
_cell_length_b                   11.525
_cell_length_c                   11.525
_cell_volume                     1530.815
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.319
_cod_original_formula_sum        'Fe3 Al2 Si3 O12'
_cod_database_code               9006109
_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            R100046.rod
_rod_data_source.block           3500000
_rod_database.code               1000285
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 9006109 COD http://www.crystallography.net/cod/9006109.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
90.49219 0.0000000E+00
90.97430 0.1993470
91.45642 0.3400890
91.93854 0.1867660
92.42065 1.0967000E-02
92.90277 0.1631930
93.38489 0.8111420
93.86700 1.571149
94.34912 1.886668
94.83124 1.844277
95.31335 1.618230
95.79547 1.135630
96.27759 0.5082170
96.75970 0.2379020
97.24182 0.4773670
97.72394 1.039692
98.20605 1.547126
98.68817 2.015623
99.17029 2.324794
99.65240 2.269889
100.1345 1.844235
100.6166 1.714367
101.0988 2.016388
101.5809 2.544736
102.0630 2.793169
102.5451 2.697604
103.0272 2.460103
103.5093 2.299686
103.9915 2.344950
104.4736 2.593813
104.9557 2.853190
105.4378 3.150765
105.9199 3.354415
106.4020 3.552429
106.8842 3.832264
107.3663 3.979071
107.8484 4.097851
108.3305 4.103115
108.8126 4.072576
109.2947 3.819407
109.7769 3.280037
110.2590 2.524868
110.7411 2.429718
111.2232 2.609141
111.7053 3.734288
112.1874 4.957143
112.6696 5.651278
113.1517 5.495422
113.6338 5.351370
114.1159 5.470093
114.5980 5.813205
115.0801 5.879900
115.5623 5.486615
116.0444 4.800702
116.5265 3.954695
117.0086 2.536659
117.4907 1.346760
117.9728 0.7411980
118.4550 0.7422620
118.9371 0.8967540
119.4192 1.120562
119.9013 1.358673
120.3834 1.532864
120.8655 1.692255
121.3477 1.725856
121.8298 1.466408
122.3119 0.8357420
122.7940 0.2846100
123.2761 0.1962170
123.7582 0.4325160
124.2404 0.6861930
124.7225 0.8821350
125.2046 0.9742010
125.6867 0.8663510
126.1688 0.4841180
126.6509 5.2143000E-02
127.1331 0.2528220
127.6152 0.4216140
128.0973 0.4085530
128.5794 0.1589110
129.0615 0.9413530
129.5436 1.031873
130.0258 9.3367003E-02
130.5079 1.642011
130.9900 2.132791
131.4721 1.563496
131.9542 0.7554260
132.4363 0.4133300
132.9185 0.4735760
133.4006 0.4936330
133.8827 0.3298870
134.3648 4.2084999E-02
134.8469 0.1528820
135.3290 0.2312130
135.8112 0.3219550
136.2933 0.5154660
136.7754 0.8037080
137.2575 1.343140
137.7396 2.335093
138.2217 3.739016
138.7039 4.754342
139.1860 5.326472
139.6681 5.595418
140.1502 5.713960
140.6323 5.592547
141.1144 5.617244
141.5966 6.015682
142.0787 6.930082
142.5608 7.549398
143.0429 7.765083
143.5250 7.746823
144.0071 7.869602
144.4893 8.156854
144.9714 8.543797
145.4535 8.951662
145.9356 9.137175
146.4177 9.878151
146.8998 11.50064
147.3820 13.72757
147.8641 15.45477
148.3462 16.17408
148.8283 16.90219
149.3104 18.22825
149.7925 20.55390
150.2747 22.95211
150.7568 25.42969
151.2389 27.96558
151.7210 30.28490
152.2031 32.13108
152.6852 33.89286
153.1674 35.83347
153.6495 38.25404
154.1316 40.53110
154.6137 42.62476
155.0958 44.53687
155.5779 46.14748
156.0601 47.20341
156.5422 48.06078
157.0243 49.01011
157.5064 50.25389
157.9885 51.45531
158.4706 52.36317
158.9528 52.88285
159.4349 53.88507
159.9170 56.09300
160.3991 58.75412
160.8812 60.99884
161.3633 62.19176
161.8455 63.22325
162.3276 64.34712
162.8097 65.48109
163.2918 67.17376
163.7739 69.84428
164.2560 73.08283
164.7382 75.82204
165.2203 78.23673
165.7024 80.77193
166.1845 83.75719
166.6666 87.53317
167.1487 90.80537
167.6309 92.71221
168.1130 93.65068
168.5951 94.41249
169.0772 96.41125
169.5593 97.90307
170.0414 97.32428
170.5236 94.11991
171.0057 89.56765
171.4878 83.92338
171.9699 77.50121
172.4520 71.37939
172.9341 66.16249
173.4163 61.50713
173.8984 56.99413
174.3805 52.40006
174.8626 48.08896
175.3447 44.19695
175.8268 40.74029
176.3090 37.82219
176.7911 35.91280
177.2732 34.52985
177.7553 32.85944
178.2374 30.42140
178.7195 27.90419
179.2017 26.29055
179.6838 25.48770
180.1659 24.80148
180.6480 23.57191
181.1301 22.05510
181.6122 20.83051
182.0944 20.20134
182.5765 19.84075
183.0586 19.13449
183.5407 18.09357
184.0228 17.04936
184.5049 16.26111
184.9871 15.70339
185.4692 15.34509
185.9513 15.27675
186.4334 15.40479
186.9155 15.35410
187.3976 15.08394
187.8798 14.86476
188.3619 15.08991
188.8440 15.72834
189.3261 16.18061
189.8082 16.13161
190.2903 15.71651
190.7725 15.50329
191.2546 15.51151
191.7367 15.64145
192.2188 15.72870
192.7009 15.77760
193.1830 16.01878
193.6652 16.63589
194.1473 17.55890
194.6294 18.26869
195.1115 18.72248
195.5936 19.10194
196.0757 19.73525
196.5579 20.63907
197.0400 21.32313
197.5221 21.37597
198.0042 20.87159
198.4863 21.08899
198.9684 22.18765
199.4506 23.65479
199.9327 24.72252
200.4148 25.37106
200.8969 25.95638
201.3790 26.52655
201.8611 27.04669
202.3433 27.87165
202.8254 29.07146
203.3075 30.53636
203.7896 32.17182
204.2717 34.07286
204.7538 35.73009
205.2360 36.78650
205.7181 37.11536
206.2002 37.75759
206.6823 38.77459
207.1644 40.06430
207.6465 41.49329
208.1287 43.13410
208.6108 44.71947
209.0929 46.10775
209.5750 47.25558
210.0571 48.18021
210.5392 48.92528
211.0214 49.50633
211.5035 49.80610
211.9856 49.63284
212.4677 49.63074
212.9498 50.31065
213.4319 52.06533
213.9140 52.70377
214.3962 51.95294
214.8783 50.26487
215.3604 48.70142
215.8425 47.28547
216.3246 45.81806
216.8067 44.10282
217.2889 41.93343
217.7710 40.34138
218.2531 39.69661
218.7352 39.50053
219.2173 38.53554
219.6994 36.46537
220.1816 34.23926
220.6637 32.18198
221.1458 30.18156
221.6279 28.69513
222.1100 27.97511
222.5921 27.67750
223.0743 26.83477
223.5564 25.19340
224.0385 23.46439
224.5206 22.01116
225.0027 20.90709
225.4848 19.79145
225.9670 18.54955
226.4491 17.33778
226.9312 16.61408
227.4133 16.69859
227.8954 16.75846
228.3775 16.40024
228.8597 15.46626
229.3418 14.45911
229.8239 13.24089
230.3060 11.98428
230.7881 11.23515
231.2702 11.22752
231.7524 11.35928
232.2345 11.39263
232.7166 11.40446
233.1987 11.12325
233.6808 10.41698
234.1629 9.454929
234.6451 8.676006
235.1272 8.155434
235.6093 7.715801
236.0914 7.259306
236.5735 6.667326
237.0556 6.346552
237.5378 6.411469
238.0199 6.715172
238.5020 6.901245
238.9841 7.005346
239.4662 6.945461
239.9483 6.644947
240.4305 5.912247
240.9126 5.404051
241.3947 5.215759
241.8768 5.220890
242.3589 5.121696
242.8410 4.934578
243.3232 4.617813
243.8053 4.123833
244.2874 3.313267
244.7695 2.637798
245.2516 1.991581
245.7337 1.515320
246.2159 1.613888
246.6980 2.797523
247.1801 3.753212
247.6622 3.881863
248.1443 2.720722
248.6264 2.069866
249.1086 2.202789
249.5907 2.708149
250.0728 2.688271
250.5549 1.777203
251.0370 0.9573710
251.5191 0.6338230
252.0013 0.9844700
252.4834 1.253616
252.9655 1.462147
253.4476 1.573662
253.9297 1.481537
254.4118 1.034718
254.8940 0.6684720
255.3761 0.5857620
255.8582 0.9148330
256.3403 0.9993440
256.8224 0.7555080
257.3046 0.3328210
257.7867 5.6953002E-02
258.2688 0.5155180
258.7509 0.7264330
259.2330 0.4916270
259.7151 0.3214450
260.1973 0.8064040
260.6794 0.9012260
261.1615 0.7203410
261.6436 0.3562090
262.1257 0.3598250
262.6078 0.8481940
263.0900 0.8512270
263.5721 0.2960430
264.0542 4.0091999E-02
264.5363 0.1649890
265.0184 6.5844998E-02
265.5005 0.3861620
265.9827 1.429916
266.4648 2.105858
266.9469 1.991638
267.4290 1.062317
267.9111 0.6336710
268.3932 0.8938330
268.8754 1.369648
269.3575 1.553150
269.8396 1.421696
270.3217 1.056870
270.8038 0.3273960
271.2859 0.7276730
271.7681 1.065468
272.2502 0.3930740
272.7323 0.3886720
273.2144 0.1136740
273.6965 1.549198
274.1786 2.440178
274.6608 1.849174
275.1429 3.5034001E-02
275.6250 1.131184
276.1071 1.554325
276.5892 1.605770
277.0714 1.573349
277.5535 1.455532
278.0356 1.263500
278.5177 0.9812130
278.9998 0.6302190
279.4819 0.2639050
279.9641 0.1522980
280.4462 0.4581530
280.9283 0.4175830
281.4104 1.1734000E-02
281.8925 0.1021650
282.3746 0.2799490
282.8568 0.9388200
283.3389 1.215698
283.8210 1.069275
284.3031 0.8595500
284.7852 0.7852360
285.2673 0.8484540
285.7495 1.131744
286.2316 1.723011
286.7137 2.425888
287.1958 2.795235
287.6779 2.820850
288.1600 2.811401
288.6422 2.967163
289.1243 3.266209
289.6064 3.544285
290.0885 3.799294
290.5706 4.011276
291.0527 4.136280
291.5349 4.178417
292.0170 4.193573
292.4991 4.138931
292.9812 4.070950
293.4633 4.191151
293.9454 4.513416
294.4276 5.010662
294.9097 5.773140
295.3918 6.736202
295.8739 7.540855
296.3560 7.860329
296.8381 7.909546
297.3203 8.209599
297.8024 8.789196
298.2845 9.430820
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300.6951 10.77574
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301.6593 11.99038
302.1414 12.92179
302.6235 13.88173
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304.0699 16.38214
304.5520 17.04796
305.0341 18.05976
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305.9984 20.69286
306.4805 21.75394
306.9626 22.67994
307.4447 23.59718
307.9268 24.45414
308.4089 25.44543
308.8911 26.74097
309.3732 28.31920
309.8553 30.09367
310.3374 32.14391
310.8195 34.30829
311.3016 36.39206
311.7838 38.30795
312.2659 40.23124
312.7480 42.21551
313.2301 44.26639
313.7122 46.43604
314.1943 49.23471
314.6765 51.87230
315.1586 53.78365
315.6407 54.79973
316.1228 55.35069
316.6049 55.44183
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317.5692 55.06997
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318.5334 54.60435
319.0155 54.68213
319.4976 54.97843
319.9797 55.65428
320.4619 57.00640
320.9440 58.71012
321.4261 60.38340
321.9082 61.67868
322.3903 63.14819
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323.8367 69.41683
324.3188 71.84912
324.8009 74.44583
325.2830 77.20271
325.7651 79.80235
326.2473 82.84857
326.7294 86.64206
327.2115 91.09182
327.6936 95.37951
328.1757 99.14004
328.6578 102.9545
329.1400 107.1120
329.6221 112.3234
330.1042 116.8039
330.5863 120.1904
331.0684 122.8524
331.5505 125.7048
332.0327 128.7564
332.5148 131.9924
332.9969 135.4364
333.4790 138.9836
333.9611 142.6610
334.4432 146.4094
334.9254 150.3709
335.4075 154.7120
335.8896 159.4588
336.3717 164.6255
336.8538 170.2174
337.3359 176.3143
337.8180 182.3296
338.3001 187.7240
338.7823 193.8191
339.2644 202.4024
339.7465 214.1925
340.2286 225.4809
340.7107 234.9276
341.1928 243.0744
341.6750 252.6787
342.1571 263.9585
342.6392 276.3312
343.1213 290.1598
343.6034 305.3676
344.0855 319.1783
344.5677 330.9316
345.0498 341.0768
345.5319 350.6511
346.0140 359.6962
346.4961 367.0145
346.9782 372.3423
347.4604 375.4753
347.9425 375.1336
348.4246 371.1279
348.9067 363.8607
349.3888 353.3446
349.8709 339.8302
350.3531 324.6756
350.8352 307.8218
351.3173 290.0323
351.7994 272.2818
352.2815 254.6460
352.7636 237.5987
353.2458 221.3387
353.7279 205.9903
354.2100 191.8318
354.6921 178.8039
355.1742 167.1731
355.6563 157.4284
356.1385 149.5008
356.6206 142.1779
357.1027 134.1451
357.5848 126.4562
358.0669 120.3192
358.5490 116.5750
359.0312 113.6796
359.5133 110.5292
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360.4775 104.9079
360.9596 104.2109
361.4417 104.0471
361.9239 103.4094
362.4060 101.7285
362.8881 100.6182
363.3702 100.9577
363.8523 102.2006
364.3344 103.5178
364.8166 104.8825
365.2987 106.1439
365.7808 107.0864
366.2629 107.6205
366.7450 108.5173
367.2271 110.2502
367.7093 112.2472
368.1914 113.9778
368.6735 115.2716
369.1556 116.3767
369.6377 117.4272
370.1198 118.4133
370.6020 118.9782
371.0841 119.0696
371.5662 118.7174
372.0483 117.9567
372.5304 116.6890
373.0125 115.2807
373.4947 113.9350
373.9768 112.3650
374.4589 109.8443
374.9410 106.0554
375.4231 101.9747
375.9052 97.95085
376.3874 94.00729
376.8695 89.67712
377.3516 84.78040
377.8337 79.79052
378.3158 75.15699
378.7979 70.90014
379.2801 66.63492
379.7622 62.10761
380.2443 57.46058
380.7264 53.15586
381.2085 49.22833
381.6906 45.67810
382.1728 42.62836
382.6549 39.98815
383.1370 37.36222
383.6191 34.61280
384.1012 31.91486
384.5833 29.38004
385.0655 27.07004
385.5476 25.26523
386.0297 24.51008
386.5118 24.20937
386.9939 23.18825
387.4760 21.26675
387.9582 19.16677
388.4403 17.31758
388.9224 15.77906
389.4045 14.66024
389.8866 14.36213
390.3687 14.18771
390.8509 13.46830
391.3330 12.26192
391.8151 11.16098
392.2972 10.75622
392.7793 10.52394
393.2614 9.929693
393.7436 8.505493
394.2257 7.190294
394.7078 6.397032
395.1899 6.024137
395.6720 5.805227
396.1541 5.862190
396.6363 5.890116
397.1184 5.741846
397.6005 5.370390
398.0826 4.923956
398.5647 4.346928
399.0468 3.733250
399.5290 3.196796
400.0111 2.783573
400.4932 2.405615
400.9753 1.983213
401.4574 1.516636
401.9395 1.373825
402.4217 1.838341
402.9038 2.325302
403.3859 2.407433
403.8680 1.826277
404.3501 1.467506
404.8322 1.477749
405.3144 1.707127
405.7965 1.740511
406.2786 1.512421
406.7607 1.307072
407.2428 1.313347
407.7249 1.544275
408.2071 1.486403
408.6892 1.079895
409.1713 0.5603430
409.6534 0.1846330
410.1355 4.5979001E-02
410.6176 0.1539340
411.0998 0.1367680
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