#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:41 +0300 (Thu, 24 May 2018) $
#$Revision: 907 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000384.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_1000384
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 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            R100046.rod
_rod_data_source.block           3500000
_rod_database.code               1000384
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
91.53320 0.0000000E+00
92.01532 2.838211
92.49744 5.057205
92.97955 7.294502
93.46167 8.608932
93.94379 9.085983
94.42590 9.594963
94.90802 9.851891
95.39014 9.017052
95.87225 6.871231
96.35437 5.201508
96.83649 4.929054
97.31860 5.449745
97.80072 5.984169
98.28284 6.101990
98.76495 5.764297
99.24707 5.200706
99.72919 4.516956
100.2113 3.780872
100.6934 3.017227
101.1755 2.246777
101.6577 1.871563
102.1398 1.990952
102.6219 1.839752
103.1040 1.525928
103.5861 1.305809
104.0682 1.276909
104.5504 1.739868
105.0325 2.746647
105.5146 3.794113
105.9967 4.463947
106.4788 4.990841
106.9609 5.180248
107.4431 5.182526
107.9252 5.056099
108.4073 4.633484
108.8894 3.739502
109.3715 2.638718
109.8536 1.830467
110.3358 1.297451
110.8179 0.8085780
111.3000 0.2135700
111.7821 0.4276470
112.2642 0.8468510
112.7463 0.8507080
113.2285 0.6280400
113.7106 0.3337670
114.1927 2.0039000E-02
114.6748 0.3559880
115.1569 0.5960730
115.6390 0.7784390
116.1212 0.7691500
116.6033 0.4247670
117.0854 4.9938001E-02
117.5675 0.5141530
118.0496 0.8861310
118.5317 1.141537
119.0139 1.200867
119.4960 0.8431780
119.9781 0.5050050
120.4602 0.3113560
120.9423 0.1836170
121.4244 4.0233999E-02
121.9066 0.5172460
122.3887 1.293125
122.8708 1.626427
123.3529 1.232418
123.8350 0.7631230
124.3171 0.4531170
124.7993 0.3408090
125.2814 0.4162140
125.7635 0.7197380
126.2456 1.329384
126.7277 1.701744
127.2098 1.627911
127.6920 1.402046
128.1741 1.318691
128.6562 1.437634
129.1383 1.688793
129.6204 2.091187
130.1025 2.630638
130.5847 2.994781
131.0668 2.926598
131.5489 2.554035
132.0310 2.322273
132.5131 2.349045
132.9952 2.535480
133.4774 2.794712
133.9595 3.121994
134.4416 3.464355
134.9237 3.741749
135.4058 3.928207
135.8879 4.249805
136.3701 4.980270
136.8522 5.713856
137.3343 6.226921
137.8164 6.455219
138.2985 6.497795
138.7806 6.479866
139.2628 6.288780
139.7449 6.220932
140.2270 6.400208
140.7091 6.645935
141.1912 6.761269
141.6733 6.657581
142.1555 6.452457
142.6376 6.553909
143.1197 7.345867
143.6018 8.037270
144.0839 8.561867
144.5660 8.930294
145.0482 9.141266
145.5303 9.169605
146.0124 9.058327
146.4945 9.138939
146.9766 9.416264
147.4587 9.826374
147.9409 10.38588
148.4230 11.07288
148.9051 11.80295
149.3872 12.82143
149.8693 13.83102
150.3514 14.78233
150.8336 15.49459
151.3157 16.25497
151.7978 17.41478
152.2799 19.04548
152.7620 20.64405
153.2441 21.74674
153.7263 22.55783
154.2084 23.41330
154.6905 24.44935
155.1726 25.59263
155.6547 26.68528
156.1368 27.69170
156.6190 28.70989
157.1011 29.82138
157.5832 30.97775
158.0653 32.10008
158.5474 33.10741
159.0295 34.01223
159.5117 34.98153
159.9938 35.99460
160.4759 37.11437
160.9580 38.39415
161.4401 39.80597
161.9222 41.28917
162.4044 42.85868
162.8865 44.62250
163.3686 45.85105
163.8507 45.59751
164.3328 45.65918
164.8149 46.99399
165.2971 49.54816
165.7792 52.53160
166.2613 55.06451
166.7434 56.99438
167.2255 58.79359
167.7076 61.12383
168.1898 62.93219
168.6719 63.46519
169.1540 62.57216
169.6361 60.58820
170.1182 57.95909
170.6003 54.54435
171.0825 50.81834
171.5646 46.46385
172.0467 41.95376
172.5288 37.74475
173.0109 33.94052
173.4930 30.56367
173.9752 27.80511
174.4573 25.69905
174.9394 23.58411
175.4215 21.11311
175.9036 18.47990
176.3857 16.11950
176.8679 14.13323
177.3500 12.54511
177.8321 11.38020
178.3142 10.65382
178.7963 9.939644
179.2784 8.910412
179.7606 7.610863
180.2427 6.514687
180.7248 5.838451
181.2069 5.329170
181.6890 4.731991
182.1711 4.021465
182.6533 3.396126
183.1354 3.140423
183.6175 3.329464
184.0996 3.319893
184.5817 2.661400
185.0638 1.931000
185.5460 1.445381
186.0281 1.276199
186.5102 1.322529
186.9923 1.465237
187.4744 1.736996
187.9565 2.028011
188.4387 2.298737
188.9208 2.590881
189.4029 2.936584
189.8850 3.347691
190.3671 3.803200
190.8492 4.264606
191.3314 4.673351
191.8135 5.191948
192.2956 5.964199
192.7777 6.769073
193.2598 7.386326
193.7419 7.733566
194.2241 7.923824
194.7062 8.226578
195.1883 8.644604
195.6704 9.188740
196.1525 9.904861
196.6346 10.74134
197.1168 11.67184
197.5989 12.69177
198.0810 13.74372
198.5631 14.65224
199.0452 15.25443
199.5273 15.91755
200.0095 16.71490
200.4916 17.62787
200.9737 18.63612
201.4558 19.73706
201.9379 20.85707
202.4200 21.82861
202.9022 22.42834
203.3843 23.26521
203.8664 24.63724
204.3485 26.43707
204.8306 28.36042
205.3127 30.30769
205.7949 32.29628
206.2770 34.35192
206.7591 36.61233
207.2412 38.65215
207.7233 40.05020
208.2054 40.90976
208.6876 41.94704
209.1697 43.65133
209.6518 45.54813
210.1339 46.93545
210.6160 47.70025
211.0981 48.15659
211.5803 48.53493
212.0624 48.83355
212.5445 48.97892
213.0266 48.96087
213.5087 48.73905
213.9908 48.30764
214.4730 47.68840
214.9551 46.81066
215.4372 45.57162
215.9193 43.93945
216.4014 42.14395
216.8836 40.00881
217.3657 37.84698
217.8478 35.86367
218.3299 34.11862
218.8120 32.48909
219.2941 30.81713
219.7763 29.05669
220.2584 27.38977
220.7405 25.86115
221.2226 24.41675
221.7047 22.97644
222.1868 21.52703
222.6690 20.20006
223.1511 19.28903
223.6332 19.14658
224.1153 18.58791
224.5974 17.15541
225.0795 15.55593
225.5617 14.28391
226.0438 13.48157
226.5259 12.97245
227.0080 12.44128
227.4901 11.75197
227.9722 11.32108
228.4544 11.40888
228.9365 11.57219
229.4186 11.47206
229.9007 11.01446
230.3828 10.33126
230.8649 9.647072
231.3471 8.923420
231.8292 8.261951
232.3113 7.574623
232.7934 6.992504
233.2755 6.675682
233.7576 6.653362
234.2398 6.752903
234.7219 6.689938
235.2040 6.345421
235.6861 6.032639
236.1682 5.748650
236.6503 5.496193
237.1325 5.277359
237.6146 5.093700
238.0967 4.950829
238.5788 4.873272
239.0609 4.951843
239.5430 4.866268
240.0252 4.495720
240.5073 4.008095
240.9894 3.545940
241.4715 3.143402
241.9536 2.819714
242.4357 2.607944
242.9179 2.528477
243.4000 2.483284
243.8821 2.522186
244.3642 2.567596
244.8463 2.554424
245.3284 2.472736
245.8106 2.284428
246.2927 1.836185
246.7748 1.102196
247.2569 0.7143860
247.7390 1.160183
248.2211 1.828991
248.7033 1.886288
249.1854 1.144375
249.6675 0.2981800
250.1496 0.1381380
250.6317 0.5504800
251.1138 0.7919730
251.5960 0.5174450
252.0781 7.1621001E-02
252.5602 5.7953000E-02
253.0423 0.2188070
253.5244 0.5444530
254.0065 0.6003300
254.4887 0.4588170
254.9708 0.2934530
255.4529 9.9463999E-02
255.9350 7.5455002E-02
256.4171 0.1215290
256.8992 4.6770000E-03
257.3813 7.4345000E-02
257.8635 0.2167970
258.3456 0.6688310
258.8277 0.9355260
259.3098 0.8394890
259.7919 0.5513150
260.2740 0.2817760
260.7562 1.8250000E-02
261.2383 0.1714940
261.7204 0.2750470
262.2025 0.2730260
262.6846 9.8945998E-02
263.1667 0.3418200
263.6489 0.8711030
264.1310 1.256649
264.6131 1.492411
265.0952 1.610641
265.5773 1.501467
266.0594 1.328447
266.5416 1.257559
267.0237 1.357317
267.5058 1.506475
267.9879 1.545607
268.4700 1.460426
268.9521 1.328533
269.4343 1.164028
269.9164 0.9667190
270.3985 0.7072930
270.8806 0.3701020
271.3627 5.2878998E-02
271.8448 0.1127510
272.3270 0.1038090
272.8091 6.6276997E-02
273.2912 7.7877000E-02
273.7733 0.1681180
274.2554 2.7659999E-02
274.7375 0.3606490
275.2197 0.7280500
275.7018 0.7111090
276.1839 0.2276500
276.6660 0.1046030
277.1481 7.0473000E-02
277.6302 4.9896002E-02
278.1124 0.1400030
278.5945 0.1860280
279.0766 0.2228130
279.5587 0.3066180
280.0408 0.4535980
280.5229 0.5027430
281.0051 0.2013510
281.4872 1.6129000E-02
281.9693 0.1739200
282.4514 0.6368370
282.9335 1.235062
283.4156 1.920319
283.8978 2.702900
284.3799 3.081711
284.8620 2.618595
285.3441 2.165951
285.8262 1.991749
286.3083 2.056850
286.7905 2.232117
287.2726 2.434437
287.7547 2.665749
288.2368 2.949825
288.7189 3.395187
289.2010 3.760143
289.6832 3.957645
290.1653 4.039677
290.6474 4.051010
291.1295 3.983807
291.6116 3.919247
292.0938 4.235516
292.5759 5.447548
293.0580 6.289219
293.5401 6.280296
294.0222 5.897438
294.5043 5.647476
294.9865 5.754627
295.4686 6.132267
295.9507 6.587570
296.4328 7.183777
296.9149 7.745609
297.3970 8.216991
297.8792 8.668449
298.3613 9.192097
298.8434 9.808319
299.3255 10.40722
299.8076 10.77688
300.2897 10.75201
300.7719 10.87360
301.2540 11.11277
301.7361 11.51759
302.2182 12.19476
302.7003 13.12214
303.1824 14.11700
303.6646 14.95664
304.1467 15.58167
304.6288 16.25566
305.1109 16.88225
305.5930 17.64018
306.0751 18.66635
306.5573 19.92010
307.0394 21.23428
307.5215 22.43440
308.0036 23.50482
308.4857 24.79119
308.9678 26.36082
309.4500 28.09647
309.9321 30.07490
310.4142 32.19811
310.8963 34.29650
311.3784 36.23539
311.8605 38.04925
312.3427 39.98491
312.8248 42.54477
313.3069 44.62938
313.7890 45.96493
314.2711 46.74667
314.7532 47.23814
315.2354 47.55703
315.7175 47.65706
316.1996 47.41138
316.6817 46.56559
317.1638 45.80458
317.6459 45.06852
318.1281 44.52286
318.6102 44.29113
319.0923 44.41210
319.5744 44.88469
320.0565 45.76086
320.5386 47.22440
321.0208 48.65869
321.5029 49.82374
321.9850 51.09938
322.4671 52.78491
322.9492 54.89215
323.4313 57.16901
323.9135 59.28888
324.3956 61.10443
324.8777 63.47750
325.3598 66.93727
325.8419 70.47176
326.3240 73.68233
326.8062 76.65224
327.2883 79.76646
327.7704 83.43198
328.2525 87.58101
328.7346 91.08118
329.2167 93.27577
329.6989 95.52591
330.1810 98.16479
330.6631 101.0702
331.1452 104.0339
331.6273 106.9618
332.1094 109.8494
332.5916 112.6115
333.0737 114.9803
333.5558 117.7025
334.0379 120.7425
334.5200 124.2139
335.0021 128.1939
335.4843 132.7186
335.9664 137.7619
336.4485 143.2009
336.9306 148.9132
337.4127 155.4626
337.8948 163.2366
338.3770 171.5767
338.8591 179.9457
339.3412 188.4251
339.8233 197.5889
340.3055 208.1482
340.7876 220.1411
341.2697 232.7265
341.7518 246.1174
342.2339 259.8838
342.7160 274.0742
343.1982 288.5368
343.6803 303.1537
344.1624 318.2853
344.6445 333.4376
345.1266 346.2225
345.6087 356.9098
346.0909 364.4010
346.5730 369.0274
347.0551 370.6835
347.5372 369.2513
348.0193 364.6912
348.5014 356.9882
348.9836 345.6823
349.4657 330.1509
349.9478 313.2403
350.4299 294.5826
350.9120 275.4451
351.3941 256.4844
351.8763 237.8896
352.3584 220.1285
352.8405 203.7230
353.3226 188.6079
353.8047 174.9268
354.2868 163.1215
354.7690 152.4757
355.2511 142.4263
355.7332 132.9954
356.2153 124.5466
356.6974 117.3395
357.1795 111.2986
357.6617 106.2387
358.1438 102.5181
358.6259 99.17272
359.1080 95.46539
359.5901 91.77028
360.0722 88.69643
360.5544 86.47348
361.0365 84.92671
361.5186 83.93906
362.0007 83.59442
362.4828 83.25254
362.9649 82.37225
363.4471 81.53078
363.9292 81.44141
364.4113 82.29443
364.8934 83.43243
365.3755 84.37289
365.8576 85.15904
366.3398 86.05238
366.8219 87.14599
367.3040 88.30059
367.7861 89.40182
368.2682 90.47763
368.7503 91.52873
369.2325 92.63358
369.7146 93.64662
370.1967 94.40337
370.6788 94.93140
371.1609 95.00570
371.6430 94.42955
372.1252 93.22501
372.6073 91.49819
373.0894 89.01841
373.5715 86.21048
374.0536 83.27510
374.5357 80.26736
375.0179 77.45653
375.5000 75.20022
375.9821 73.07305
376.4642 69.99293
376.9463 65.64809
377.4284 61.21809
377.9106 56.96284
378.3927 52.96683
378.8748 49.42477
379.3569 46.40957
379.8390 43.68216
380.3211 40.92963
380.8033 38.12675
381.2854 35.48818
381.7675 33.07942
382.2496 30.81414
382.7317 28.59219
383.2138 26.42619
383.6960 24.44736
384.1781 22.76217
384.6602 21.35884
385.1423 19.95139
385.6244 18.27085
386.1065 16.86029
386.5887 16.07773
387.0708 15.65480
387.5529 15.13713
388.0350 14.32288
388.5171 13.31089
388.9992 12.30751
389.4814 11.18978
389.9635 10.31738
390.4456 9.782391
390.9277 9.403440
391.4098 9.101635
391.8919 8.839512
392.3741 8.529936
392.8562 8.080124
393.3383 7.473482
393.8204 6.826246
394.3025 6.002888
394.7846 5.281630
395.2668 4.766195
395.7489 4.419683
396.2310 4.168432
396.7131 3.972782
397.1952 3.828966
397.6773 3.741079
398.1595 3.867561
398.6416 3.771484
399.1237 3.157797
399.6058 2.471308
400.0879 2.138845
400.5700 2.238590
401.0522 2.458447
401.5343 2.379328
402.0164 1.921934
402.4985 1.645161
402.9806 1.784002
403.4627 1.906479
403.9449 1.705587
404.4270 1.327023
404.9091 1.194565
405.3912 1.759392
405.8733 2.665813
406.3554 2.672527
406.8376 1.334538
407.3197 0.2064610
407.8018 8.4132999E-02
408.2839 0.3995440
408.7660 0.6338860
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