#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:59:23 +0300 (Thu, 24 May 2018) $
#$Revision: 845 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000332.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_1000332
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        R120152
_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            R120152.rod
_rod_data_source.block           3500000
_rod_database.code               1000332
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
156.3759 0.0000000E+00
156.8580 6.0009998E-03
157.3401 3.0125000E-02
157.8222 0.3560330
158.3043 0.9376220
158.7864 1.364910
159.2686 1.681908
159.7507 2.091660
160.2328 2.173969
160.7149 2.038746
161.1970 1.816078
161.6791 1.641830
162.1613 0.7522470
162.6434 0.5277290
163.1255 0.3636630
163.6076 0.5184520
164.0897 0.6800730
164.5718 0.9978600
165.0540 1.169758
165.5361 0.9058570
166.0182 0.2290650
166.5003 0.2643780
166.9824 5.4832000E-02
167.4645 0.4664080
167.9467 0.8130110
168.4288 0.6873280
168.9109 0.9306340
169.3930 1.902687
169.8751 2.263546
170.3572 0.1790890
170.8394 1.255760
171.3215 1.067829
171.8036 0.8295140
172.2857 2.355595
172.7678 0.6349870
173.2499 2.136127
173.7321 2.353100
174.2142 3.159504
174.6963 2.692894
175.1784 2.620625
175.6605 3.823524
176.1426 4.321453
176.6248 3.711102
177.1069 4.559307
177.5890 2.802917
178.0711 3.332935
178.5532 4.849628
179.0353 4.305458
179.5175 5.178883
179.9996 5.512775
180.4817 5.165112
180.9638 4.650463
181.4459 4.793125
181.9280 4.858643
182.4102 4.883301
182.8923 4.886120
183.3744 4.988503
183.8565 5.301117
184.3386 5.777565
184.8207 6.292656
185.3029 6.858414
185.7850 7.406815
186.2671 7.811970
186.7492 8.078297
187.2313 8.329056
187.7134 8.504532
188.1956 8.685608
188.6777 9.312469
189.1598 10.60126
189.6419 12.20633
190.1240 13.42014
190.6061 14.24775
191.0883 14.84741
191.5704 15.23246
192.0525 15.44077
192.5346 15.81127
193.0167 16.41403
193.4988 17.15668
193.9810 17.68374
194.4631 17.92603
194.9452 18.23618
195.4273 18.56707
195.9094 18.91839
196.3915 19.46924
196.8737 20.33809
197.3558 21.39114
197.8379 22.13868
198.3200 22.53587
198.8021 22.84619
199.2842 23.30761
199.7664 23.93182
200.2485 24.51336
200.7306 24.99533
201.2127 25.40601
201.6948 25.90143
202.1769 26.48340
202.6591 27.14596
203.1412 27.89691
203.6233 28.75330
204.1054 29.57515
204.5875 30.22375
205.0696 30.76481
205.5518 31.93191
206.0339 33.92142
206.5160 36.07910
206.9981 37.67701
207.4802 38.56450
207.9623 39.54112
208.4445 40.79340
208.9266 42.31689
209.4087 43.94071
209.8908 45.76253
210.3729 47.60885
210.8550 49.20652
211.3372 50.48785
211.8193 51.60519
212.3014 52.56243
212.7835 53.25411
213.2656 53.99754
213.7477 55.08508
214.2299 56.04703
214.7120 56.29784
215.1941 55.67878
215.6762 54.76706
216.1583 53.61652
216.6404 52.21862
217.1226 51.13483
217.6047 50.52457
218.0868 49.93422
218.5689 48.82129
219.0510 47.03840
219.5331 45.08257
220.0153 42.99562
220.4974 40.81010
220.9795 38.72373
221.4616 36.78322
221.9437 35.05627
222.4258 33.71544
222.9080 32.93505
223.3901 31.90101
223.8722 30.26867
224.3543 27.82906
224.8364 26.04438
225.3185 25.00794
225.8007 24.42283
226.2828 23.86457
226.7649 23.55441
227.2470 23.09149
227.7291 22.38948
228.2112 21.41909
228.6934 20.29340
229.1755 18.83313
229.6576 17.36388
230.1397 16.37018
230.6218 16.10580
231.1039 15.82558
231.5861 15.31886
232.0682 14.52779
232.5503 13.87801
233.0324 13.41956
233.5145 13.06389
233.9966 12.69842
234.4788 11.12854
234.9609 12.31194
235.4430 12.84816
235.9251 12.77193
236.4072 10.24899
236.8893 10.88551
237.3715 10.25581
237.8536 9.574276
238.3357 10.65553
238.8178 8.488510
239.2999 9.541821
239.7820 9.309650
240.2642 9.665752
240.7463 8.747952
241.2284 8.223652
241.7105 8.973740
242.1926 9.018162
242.6747 7.953644
243.1569 8.347065
243.6390 6.135452
244.1211 6.209812
244.6032 7.270405
245.0853 6.269768
245.5674 6.686348
246.0496 6.563042
246.5317 5.759895
247.0138 5.676399
247.4959 4.496445
247.9780 4.263168
248.4601 3.897202
248.9423 3.527004
249.4244 3.322983
249.9065 3.444782
250.3886 3.410385
250.8707 3.021244
251.3528 2.251034
251.8350 1.839352
252.3171 1.950611
252.7992 2.244762
253.2813 2.396599
253.7634 2.410683
254.2455 2.258041
254.7277 1.841614
255.2098 1.150143
255.6919 0.7961540
256.1740 0.9447170
256.6561 1.221703
257.1382 1.246174
257.6204 0.8676300
258.1025 0.6052090
258.5846 0.5962940
259.0667 0.8248860
259.5488 0.9637680
260.0309 1.013931
260.5131 0.9717520
260.9952 0.8114850
261.4773 0.4727330
261.9594 0.1864930
262.4415 1.1395000E-02
262.9236 6.7589000E-02
263.4058 0.2065240
263.8879 0.4677050
264.3700 0.6853830
264.8521 0.6994970
265.3342 0.4209370
265.8163 0.2395900
266.2985 0.2285190
266.7806 0.3620610
267.2627 0.5300030
267.7448 0.7942090
268.2269 0.9612850
268.7090 0.8236770
269.1912 0.2634930
269.6733 8.6300001E-02
270.1554 9.3304001E-02
270.6375 0.1528360
271.1196 0.3092380
271.6017 0.3791310
272.0839 0.3531380
272.5660 0.1211590
273.0481 0.4090650
273.5302 0.5001260
274.0123 8.4582999E-02
274.4944 1.045994
274.9766 1.486767
275.4587 1.313496
275.9408 0.9842610
276.4229 0.7474750
276.9050 0.6040190
277.3871 0.5186000
277.8693 1.617863
278.3514 0.1254120
278.8335 0.7507130
279.3156 1.043705
279.7977 0.9934010
280.2798 2.1895999E-02
280.7620 0.2561490
281.2441 0.5398750
281.7262 0.8551290
282.2083 0.8432010
282.6904 0.5252040
283.1725 0.6694600
283.6547 1.374153
284.1368 0.8658490
284.6189 0.7324100
285.1010 1.812790
285.5831 2.221226
286.0652 1.573689
286.5474 2.314884
287.0295 2.246021
287.5116 1.012684
287.9937 2.389626
288.4758 1.803654
288.9579 1.407299
289.4401 1.530369
289.9222 1.718811
290.4043 1.982552
290.8864 2.305267
291.3685 2.551517
291.8506 2.612026
292.3328 2.563866
292.8149 2.614201
293.2970 2.761547
293.7791 3.015957
294.2612 3.456699
294.7433 4.033409
295.2255 4.535034
295.7076 4.835155
296.1897 5.046078
296.6718 5.407047
297.1539 5.912407
297.6360 6.408451
298.1182 6.657944
298.6003 6.789722
299.0824 7.133015
299.5645 7.796093
300.0466 8.694721
300.5287 9.879879
301.0109 11.28700
301.4930 12.49294
301.9751 12.95944
302.4572 13.05189
302.9393 13.37703
303.4214 14.09423
303.9036 15.03665
304.3857 15.99420
304.8678 17.00909
305.3499 18.26295
305.8320 20.19192
306.3141 22.28971
306.7963 23.78052
307.2784 24.30516
307.7605 24.95295
308.2426 26.78226
308.7247 29.45003
309.2068 32.13371
309.6890 34.37555
310.1711 36.47383
310.6532 38.77978
311.1353 41.43639
311.6174 43.69829
312.0995 44.84397
312.5817 45.28389
313.0638 45.70132
313.5459 46.60800
314.0280 47.40796
314.5101 47.77987
314.9922 47.70237
315.4744 47.21698
315.9565 45.90213
316.4386 44.33457
316.9207 43.18772
317.4028 42.97078
317.8849 42.92867
318.3671 42.76510
318.8492 42.48007
319.3313 42.26654
319.8134 42.04877
320.2955 41.99454
320.7776 42.24414
321.2598 42.69923
321.7419 43.57610
322.2240 45.21205
322.7061 47.44522
323.1882 49.39049
323.6703 50.49357
324.1525 51.50771
324.6346 52.82182
325.1167 54.47614
325.5988 56.43237
326.0809 58.94133
326.5630 61.79966
327.0452 64.43432
327.5273 66.36817
328.0094 68.37547
328.4915 70.77051
328.9736 73.82101
329.4557 76.61027
329.9379 78.84324
330.4200 80.93790
330.9021 83.49155
331.3842 86.53897
331.8663 89.99624
332.3484 93.87350
332.8306 98.17748
333.3127 102.5935
333.7948 106.8812
334.2769 111.5283
334.7590 117.0218
335.2411 123.5364
335.7233 130.5096
336.2054 137.8990
336.6875 145.7052
337.1696 154.2052
337.6517 163.3129
338.1339 173.1973
338.6160 183.6683
339.0981 194.7174
339.5802 206.8109
340.0623 220.1714
340.5444 234.5377
341.0266 247.9623
341.5087 260.5535
341.9908 272.5558
342.4729 284.6885
342.9550 296.8361
343.4371 307.1364
343.9193 315.5044
344.4014 321.6508
344.8835 325.0587
345.3656 325.7284
345.8477 323.3646
346.3298 317.7165
346.8120 308.8754
347.2941 297.0378
347.7762 281.8368
348.2583 265.0952
348.7404 248.4786
349.2225 232.0081
349.7047 215.7403
350.1868 199.2368
350.6689 183.2127
351.1510 168.6821
351.6331 155.7041
352.1152 143.9354
352.5974 133.2440
353.0795 123.5375
353.5616 114.6495
354.0437 106.5288
354.5258 99.24303
355.0079 92.79536
355.4901 87.19902
355.9722 82.36515
356.4543 78.44719
356.9364 75.18093
357.4185 72.27325
357.9006 69.71477
358.3828 67.45047
358.8649 65.34744
359.3470 63.44747
359.8291 61.88300
360.3112 60.83928
360.7933 60.11081
361.2755 59.57254
361.7576 59.22190
362.2397 59.07860
362.7218 59.23022
363.2039 59.50926
363.6860 59.76966
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367.5430 62.70913
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368.5072 63.70469
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369.4714 64.84028
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370.4357 65.42844
370.9178 65.20644
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374.7747 53.09283
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376.7032 46.49992
377.1853 43.10093
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378.6317 35.96114
379.1138 33.65002
379.5959 31.25764
380.0780 29.14865
380.5601 27.39785
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426.3612 8.7517001E-02
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443.7174 0.5680580
444.1995 1.0639000E-02
444.6816 0.4354820
445.1638 0.3347820
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446.1280 0.7280460
446.6101 3.7186000E-02
447.0922 0.6802180
447.5743 1.078636
448.0565 1.014004
448.5386 0.9790040
449.0207 0.9951100
449.5028 1.027634
449.9849 1.019749
450.4670 0.9164700
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451.9134 1.302540
452.3955 1.518749
452.8776 1.677513
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453.8419 1.932297
454.3240 2.055199
454.8061 2.068287
455.2882 1.909828
455.7703 1.777740
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456.7346 2.666443
457.2167 3.229645
457.6988 3.575172
458.1809 3.763733
458.6630 3.833035
459.1451 3.795021
459.6273 3.857445
460.1094 4.255882
460.5915 4.820690
461.0736 5.327126
461.5557 5.704800
462.0378 6.073692
462.5200 6.470554
463.0021 6.920883
463.4842 7.465759
463.9663 8.290398
464.4484 9.070293
464.9305 9.596104
465.4127 9.844357
465.8948 10.15165
466.3769 10.46566
466.8590 10.92978
467.3411 11.64663
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468.3054 14.06556
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471.6802 21.70786
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