#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:35:02 +0300 (Thu, 24 May 2018) $
#$Revision: 912 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000389.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_1000389
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        R120145
_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            R120145.rod
_rod_data_source.block           3500000
_rod_database.code               1000389
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
115.3054 0.0000000E+00
115.7875 0.4882050
116.2696 0.7977830
116.7517 0.8786850
117.2339 0.7152630
117.7160 0.2875440
118.1981 1.1528000E-02
118.6802 0.1082690
119.1623 1.7029000E-02
119.6444 0.2381520
120.1266 0.5632780
120.6087 1.011154
121.0908 1.406639
121.5729 1.447479
122.0550 0.9841000
122.5371 0.4208450
123.0193 0.1074140
123.5014 6.4827003E-02
123.9835 8.1336997E-02
124.4656 3.9597001E-02
124.9477 1.2726000E-02
125.4298 7.1312003E-02
125.9120 0.2383800
126.3941 0.5056840
126.8762 0.8684230
127.3583 1.400497
127.8404 1.909538
128.3225 2.383423
128.8047 2.798035
129.2868 3.113342
129.7689 3.294086
130.2510 3.350117
130.7331 3.423717
131.2152 3.327816
131.6974 3.439976
132.1795 4.030811
132.6616 4.935295
133.1437 5.762619
133.6258 6.151600
134.1079 6.000977
134.5901 6.080608
135.0722 6.412342
135.5543 6.902096
136.0364 7.570503
136.5185 8.389942
137.0006 9.213684
137.4828 9.861244
137.9649 10.29557
138.4470 10.72356
138.9291 11.19283
139.4112 11.64882
139.8933 11.99210
140.3755 12.17059
140.8576 12.35114
141.3397 12.77477
141.8218 13.41439
142.3039 14.08615
142.7860 14.70202
143.2681 15.28612
143.7503 15.91089
144.2324 16.50925
144.7145 17.27116
145.1966 18.46487
145.6787 20.08137
146.1608 21.58780
146.6430 22.39413
147.1251 22.40428
147.6072 22.72973
148.0893 23.80572
148.5714 24.99501
149.0535 26.09901
149.5357 27.12054
150.0178 28.04018
150.4999 28.77458
150.9820 29.16608
151.4641 29.73636
151.9462 30.65396
152.4284 31.66730
152.9105 32.60201
153.3926 33.38557
153.8747 34.04871
154.3568 34.66576
154.8389 35.30049
155.3211 35.78910
155.8032 36.15627
156.2853 36.36838
156.7674 36.31694
157.2495 35.92825
157.7316 35.33358
158.2138 35.10819
158.6959 35.67581
159.1780 36.08375
159.6601 36.07873
160.1422 35.73992
160.6243 35.20571
161.1065 34.47422
161.5886 33.66436
162.0707 33.26566
162.5528 33.50517
163.0349 33.89634
163.5170 34.16209
163.9991 34.31903
164.4813 34.55420
164.9634 35.16391
165.4455 35.87558
165.9276 36.09722
166.4097 35.67934
166.8918 34.81395
167.3740 33.67964
167.8561 32.26466
168.3382 30.64338
168.8203 28.75205
169.3024 26.71478
169.7845 24.64781
170.2667 22.58477
170.7488 20.53429
171.2309 18.49991
171.7130 16.41959
172.1951 14.48750
172.6772 12.71120
173.1594 11.09009
173.6415 9.654263
174.1236 8.475475
174.6057 7.492584
175.0878 6.323914
175.5699 4.482002
176.0521 3.025471
176.5342 2.465057
177.0163 2.482418
177.4984 2.491074
177.9805 2.052219
178.4626 1.159966
178.9448 0.4090920
179.4269 0.2592280
179.9090 0.7345500
180.3911 0.9219630
180.8732 0.8731000
181.3553 0.6992380
181.8375 0.4806630
182.3196 0.2049410
182.8017 1.9874999E-02
183.2838 2.9883999E-02
183.7659 1.8452000E-02
184.2480 0.1366580
184.7301 0.4258230
185.2123 0.7440720
185.6944 0.9808010
186.1765 1.116379
186.6586 1.401249
187.1407 1.941185
187.6228 2.546062
188.1050 3.058376
188.5871 3.463432
189.0692 3.889862
189.5513 4.480331
190.0334 5.230404
190.5155 5.956928
190.9977 6.575432
191.4798 7.188469
191.9619 7.952896
192.4440 8.917484
192.9261 9.875668
193.4082 10.55218
193.8904 11.03905
194.3725 11.61905
194.8546 12.46618
195.3367 13.45219
195.8188 14.30209
196.3009 14.92145
196.7831 15.56625
197.2652 16.47143
197.7473 17.55807
198.2294 18.61362
198.7115 19.51949
199.1936 20.30937
199.6758 21.09532
200.1579 21.79735
200.6400 22.60424
201.1221 23.67403
201.6042 24.93049
202.0863 26.17490
202.5685 27.19661
203.0506 27.98326
203.5327 28.86564
204.0148 30.03856
204.4969 31.15520
204.9790 32.00719
205.4612 32.68082
205.9433 33.41399
206.4254 34.43378
206.9075 35.74650
207.3896 36.84249
207.8717 37.56755
208.3539 38.25437
208.8360 38.95435
209.3181 39.67561
209.8002 40.43122
210.2823 41.27502
210.7644 42.23593
211.2466 42.98018
211.7287 43.34473
212.2108 43.67716
212.6929 44.17538
213.1750 44.79155
213.6571 45.33426
214.1393 45.61847
214.6214 45.61932
215.1035 45.57438
215.5856 45.53632
216.0677 45.36101
216.5498 44.97476
217.0320 44.41117
217.5141 43.75405
217.9962 43.05452
218.4783 42.30644
218.9604 41.53463
219.4425 40.67490
219.9247 39.82071
220.4068 39.06803
220.8889 38.40060
221.3710 37.67714
221.8531 36.76099
222.3352 35.64521
222.8174 34.62403
223.2995 33.84663
223.7816 33.05317
224.2637 32.02116
224.7458 30.74590
225.2279 29.43794
225.7100 28.28406
226.1922 27.25943
226.6743 26.12368
227.1564 24.71067
227.6385 23.27756
228.1206 22.07102
228.6027 21.10685
229.0849 20.27768
229.5670 19.56345
230.0491 18.93605
230.5312 18.31008
231.0133 17.63448
231.4954 16.97826
231.9776 16.46760
232.4597 16.13368
232.9418 15.72623
233.4239 14.96071
233.9060 14.03621
234.3881 13.25993
234.8703 12.76439
235.3524 12.40290
235.8345 11.97202
236.3166 11.44909
236.7987 10.93849
237.2808 10.47733
237.7630 10.03584
238.2451 9.623962
238.7272 9.283016
239.2093 8.953968
239.6914 8.495277
240.1735 7.826706
240.6557 7.276554
241.1378 7.070385
241.6199 6.992912
242.1020 6.844326
242.5841 6.548183
243.0662 6.181499
243.5484 5.878307
244.0305 5.665035
244.5126 5.445675
244.9947 5.211590
245.4768 4.953117
245.9589 4.617840
246.4410 4.178001
246.9232 3.770912
247.4053 3.691948
247.8874 4.185997
248.3695 4.412556
248.8516 4.035938
249.3337 3.482296
249.8159 3.073738
250.2980 2.907406
250.7801 2.857460
251.2622 2.713177
251.7443 2.437721
252.2264 2.147999
252.7086 1.790165
253.1907 1.464928
253.6728 1.267708
254.1549 1.213463
254.6370 1.210545
255.1191 1.116600
255.6013 0.8886450
256.0834 0.6581460
256.5655 0.3580630
257.0476 0.1051600
257.5297 2.0919999E-02
258.0118 0.1044540
258.4940 0.2106900
258.9761 0.1158710
259.4582 0.3655550
259.9403 0.5644040
260.4224 0.2413830
260.9045 0.1166270
261.3867 0.1973690
261.8688 2.1267001E-02
262.3509 0.3535880
262.8330 0.6011120
263.3151 0.7701530
263.7972 0.8110120
264.2794 0.5538220
264.7615 0.3346980
265.2436 0.4043270
265.7257 0.7253000
266.2078 1.047398
266.6899 1.120529
267.1721 0.8998640
267.6542 0.6977420
268.1363 0.4837230
268.6184 0.3101960
269.1005 0.1960530
269.5826 0.1447720
270.0648 0.1605030
270.5469 0.2529720
271.0290 0.4242320
271.5111 0.5965610
271.9932 0.9192120
272.4753 1.100895
272.9575 0.8897480
273.4396 0.4150090
273.9217 3.2116000E-02
274.4038 9.7660003E-03
274.8859 0.2593960
275.3680 0.4770550
275.8501 0.6901630
276.3322 0.8191260
276.8144 0.8149830
277.2965 0.7066310
277.7786 0.5537910
278.2607 0.3853650
278.7428 0.2022670
279.2249 4.9669999E-03
279.7071 0.1984860
280.1892 0.4223480
280.6713 0.7171900
281.1534 1.029778
281.6355 1.260452
282.1176 1.361847
282.5998 1.372196
283.0819 1.376549
283.5640 1.331467
284.0461 1.358131
284.5282 1.527573
285.0103 1.771851
285.4925 1.987812
285.9746 2.139481
286.4567 2.270370
286.9388 2.462914
287.4209 2.742008
287.9030 2.990540
288.3852 3.113243
288.8673 3.225792
289.3494 3.503231
289.8315 3.991211
290.3136 4.513515
290.7957 4.829269
291.2779 4.895287
291.7600 5.093594
292.2421 5.542057
292.7242 6.093765
293.2063 6.622746
293.6884 7.113239
294.1706 7.576023
294.6527 8.036011
295.1348 8.486275
295.6169 8.829201
296.0990 8.853226
296.5811 8.919373
297.0633 9.389217
297.5454 10.23871
298.0275 11.07659
298.5096 11.62759
298.9917 11.92017
299.4738 12.24844
299.9560 12.54007
300.4381 12.92786
300.9202 13.59270
301.4023 14.46206
301.8844 15.18879
302.3665 15.52526
302.8487 15.64773
303.3308 16.08611
303.8129 16.93539
304.2950 17.90395
304.7771 19.00637
305.2592 20.14009
305.7414 20.99396
306.2235 21.38101
306.7056 21.56140
307.1877 22.03967
307.6698 22.84436
308.1519 23.72102
308.6341 24.53652
309.1162 25.38023
309.5983 26.47355
310.0804 27.92432
310.5625 29.39085
311.0446 30.35284
311.5268 30.81129
312.0089 31.25825
312.4910 31.78821
312.9731 32.35535
313.4552 32.91498
313.9373 33.45959
314.4195 33.99052
314.9016 34.53502
315.3837 35.08607
315.8658 35.50478
316.3479 35.55874
316.8300 35.62219
317.3121 35.99884
317.7943 36.70591
318.2764 37.57124
318.7585 38.48624
319.2406 39.43695
319.7227 40.42240
320.2048 41.49731
320.6870 42.54450
321.1691 43.33162
321.6512 44.00259
322.1333 45.09695
322.6154 46.89437
323.0975 49.19603
323.5797 51.46299
324.0618 53.60378
324.5439 55.92423
325.0260 58.59947
325.5081 61.53693
325.9902 64.60836
326.4724 67.78813
326.9545 71.03783
327.4366 74.29609
327.9187 77.52785
328.4008 80.89285
328.8829 84.50172
329.3651 88.20383
329.8472 91.79662
330.3293 95.25542
330.8114 98.72834
331.2935 102.3581
331.7756 106.1476
332.2578 110.0743
332.7399 114.0665
333.2220 118.1909
333.7041 122.5705
334.1862 127.1612
334.6683 131.8108
335.1505 136.3674
335.6326 140.8879
336.1147 145.6020
336.5968 150.4865
337.0789 155.6076
337.5610 161.0364
338.0432 166.7341
338.5253 172.5756
339.0074 178.5161
339.4895 184.5218
339.9716 190.4794
340.4537 196.3432
340.9359 202.2328
341.4180 208.1199
341.9001 214.0721
342.3822 220.2733
342.8643 226.7542
343.3464 233.1430
343.8286 238.9818
344.3107 244.3391
344.7928 248.5905
345.2749 251.8064
345.7570 253.8253
346.2391 254.6373
346.7213 254.1826
347.2034 252.1912
347.6855 248.4005
348.1676 242.7218
348.6497 235.7294
349.1318 227.0301
349.6140 217.6759
350.0961 208.0364
350.5782 198.1643
351.0603 187.9212
351.5424 177.2126
352.0245 166.2497
352.5067 155.8369
352.9888 145.8204
353.4709 136.5637
353.9530 128.0804
354.4351 120.4106
354.9172 113.6938
355.3994 107.9694
355.8815 102.8640
356.3636 97.66120
356.8457 91.87474
357.3278 87.08864
357.8099 83.81334
358.2920 81.04534
358.7741 78.07837
359.2563 74.87754
359.7384 71.92657
360.2205 69.71120
360.7026 68.30859
361.1847 66.90604
361.6668 65.62229
362.1490 64.26451
362.6311 62.57338
363.1132 60.73317
363.5953 59.16089
364.0774 58.13062
364.5595 57.51403
365.0417 56.73862
365.5238 55.58726
366.0059 54.56533
366.4880 53.79292
366.9701 53.16045
367.4522 52.56384
367.9344 51.96566
368.4165 51.36906
368.8986 50.80845
369.3807 50.37537
369.8628 49.71983
370.3449 48.61040
370.8271 47.47018
371.3092 46.51947
371.7913 45.75808
372.2734 45.03827
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373.2376 43.43694
373.7198 42.46533
374.2019 41.20924
374.6840 39.97318
375.1661 38.90499
375.6482 37.91341
376.1303 36.85587
376.6125 35.64237
377.0946 34.33960
377.5767 33.08157
378.0588 31.87064
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379.0230 29.63285
379.5052 28.58838
379.9873 27.53723
380.4694 26.47020
380.9515 25.41057
381.4336 24.41886
381.9157 23.48137
382.3979 22.47314
382.8800 21.26460
383.3621 20.10430
383.8442 19.16465
384.3263 18.41224
384.8084 17.69335
385.2906 16.92997
385.7727 16.15175
386.2548 15.41638
386.7369 14.72522
387.2190 14.08700
387.7011 13.58161
388.1833 13.11614
388.6654 12.52172
389.1475 11.70630
389.6296 10.87873
390.1117 10.22158
390.5938 9.718170
391.0760 9.264370
391.5581 8.840668
392.0402 8.438705
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393.0044 7.693233
393.4865 7.305182
393.9687 6.837391
394.4508 6.343136
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395.4150 5.545721
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397.3435 4.533319
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398.3077 4.344311
398.7898 4.294151
399.2719 4.247101
399.7540 4.084843
400.2361 3.719822
400.7183 3.247274
401.2004 2.964561
401.6825 3.025152
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402.6467 2.562439
403.1288 2.077879
403.6110 1.913528
404.0931 2.142986
404.5752 2.466537
405.0573 2.532404
405.5394 2.281506
406.0215 2.047201
406.5037 1.794031
406.9858 1.589201
407.4679 1.502007
407.9500 1.491528
408.4321 1.446404
408.9142 1.288332
409.3964 1.058270
409.8785 0.9457240
410.3606 1.161205
410.8427 1.218643
411.3248 0.9425530
411.8069 0.5677320
412.2891 0.3164880
412.7712 0.2460480
413.2533 0.2635690
413.7354 0.2408770
414.2175 0.1490230
414.6996 0.1327460
415.1818 0.3215710
415.6639 0.4666230
416.1460 0.4315450
416.6281 0.2713410
417.1102 0.1403390
417.5923 0.1596850
418.0745 0.2583450
418.5566 0.1544250
419.0387 0.3047580
419.5208 0.6220760
420.0029 0.5204330
420.4850 0.2830890
420.9672 0.1727290
421.4493 0.2542320
421.9314 0.3830490
422.4135 0.3901100
422.8956 0.2848110
423.3777 0.2748490
423.8599 0.4536880
424.3420 0.6479740
424.8241 0.7220420
425.3062 0.7001780
425.7883 0.6691590
426.2704 0.6721190
426.7526 0.6834960
427.2347 0.6580490
427.7168 0.5930730
428.1989 0.5343650
428.6810 0.4997080
429.1631 0.4918500
429.6453 0.5127700
430.1274 0.5784660
430.6095 0.6369760
431.0916 0.6476760
431.5737 0.6351200
432.0558 0.6618350
432.5380 0.7497500
433.0201 0.8307700
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