#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:35:07 +0300 (Thu, 24 May 2018) $
#$Revision: 913 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000390.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_1000390
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 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            R120152.rod
_rod_data_source.block           3500000
_rod_database.code               1000390
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
127.3583 0.0000000E+00
127.8404 0.8247830
128.3225 1.601654
128.8047 2.144836
129.2868 2.278366
129.7689 1.747864
130.2510 0.7226410
130.7331 6.7763999E-02
131.2152 0.3921970
131.6974 0.9493870
132.1795 1.106216
132.6616 0.8236850
133.1437 0.5785370
133.6258 0.9964750
134.1079 2.142303
134.5901 2.605057
135.0722 1.971588
135.5543 1.721558
136.0364 1.418121
136.5185 1.394775
137.0006 1.721161
137.4828 2.494598
137.9649 3.893219
138.4470 4.604218
138.9291 4.065567
139.4112 3.042053
139.8933 2.389709
140.3755 2.359604
140.8576 2.519882
141.3397 2.316711
141.8218 1.813644
142.3039 1.270920
142.7860 0.5055540
143.2681 0.3068010
143.7503 0.4362720
144.2324 0.5594020
144.7145 2.006554
145.1966 3.371696
145.6787 4.636414
146.1608 5.650864
146.6430 6.191292
147.1251 6.202896
147.6072 6.279152
148.0893 6.434502
148.5714 6.758682
149.0535 7.400085
149.5357 8.371880
150.0178 9.446281
150.4999 10.26537
150.9820 10.68291
151.4641 11.16670
151.9462 11.62900
152.4284 12.31931
152.9105 13.41541
153.3926 14.99023
153.8747 16.95280
154.3568 18.89099
154.8389 20.68214
155.3211 22.64838
155.8032 24.79708
156.2853 27.01041
156.7674 29.32114
157.2495 31.88660
157.7316 34.70683
158.2138 37.40245
158.6959 39.88113
159.1780 42.70084
159.6601 45.86427
160.1422 49.42671
160.6243 53.21008
161.1065 56.99371
161.5886 61.00900
162.0707 65.91987
162.5528 71.45013
163.0349 78.00349
163.5170 86.09003
163.9991 95.58022
164.4813 105.5638
164.9634 116.5093
165.4455 127.2223
165.9276 135.3591
166.4097 141.3146
166.8918 144.1425
167.3740 142.3693
167.8561 135.5800
168.3382 126.1709
168.8203 113.6108
169.3024 99.75047
169.7845 86.64809
170.2667 74.88671
170.7488 64.52280
171.2309 55.83217
171.7130 49.36232
172.1951 43.72055
172.6772 38.18744
173.1594 32.94415
173.6415 28.20279
174.1236 24.06662
174.6057 20.55032
175.0878 17.85744
175.5699 16.87025
176.0521 15.77140
176.5342 13.88495
177.0163 11.55144
177.4984 9.440674
177.9805 8.067200
178.4626 7.435860
178.9448 6.581398
179.4269 5.128578
179.9090 3.819122
180.3911 2.920891
180.8732 2.366333
181.3553 1.955429
181.8375 1.529457
182.3196 1.091042
182.8017 0.5973660
183.2838 9.7557001E-02
183.7659 0.7127910
184.2480 1.067352
184.7301 1.185577
185.2123 1.009552
185.6944 0.9065320
186.1765 0.8873060
186.6586 0.9315110
187.1407 1.231499
187.6228 1.458145
188.1050 1.273399
188.5871 0.6593250
189.0692 2.6581001E-02
189.5513 0.1517940
190.0334 0.1044620
190.5155 9.8122001E-02
190.9977 0.4591370
191.4798 1.221352
191.9619 1.802940
192.4440 2.141296
192.9261 2.378021
193.4082 2.618248
193.8904 2.862930
194.3725 3.109818
194.8546 3.322403
195.3367 3.545807
195.8188 3.882835
196.3009 4.377342
196.7831 4.895905
197.2652 5.370331
197.7473 5.802299
198.2294 6.169563
198.7115 6.279594
199.1936 6.264297
199.6758 6.755234
200.1579 8.115417
200.6400 9.514832
201.1221 10.46859
201.6042 11.09778
202.0863 11.70791
202.5685 12.41467
203.0506 13.21722
203.5327 14.20602
204.0148 15.74306
204.4969 17.07248
204.9790 17.70665
205.4612 17.87607
205.9433 18.16483
206.4254 19.15464
206.9075 20.88996
207.3896 22.20109
207.8717 22.39606
208.3539 22.80334
208.8360 23.91557
209.3181 25.59888
209.8002 27.44149
210.2823 29.13863
210.7644 30.69794
211.2466 31.92649
211.7287 32.58364
212.2108 33.17307
212.6929 33.91003
213.1750 34.78382
213.6571 35.71562
214.1393 36.68212
214.6214 37.79344
215.1035 37.97047
215.5856 36.72336
216.0677 35.18652
216.5498 33.70669
217.0320 32.42197
217.5141 31.52092
217.9962 31.23290
218.4783 31.66130
218.9604 31.75077
219.4425 31.24232
219.9247 30.59698
220.4068 30.21469
220.8889 30.07420
221.3710 29.71977
221.8531 28.65080
222.3352 26.82242
222.8174 25.57278
223.2995 25.32010
223.7816 25.30410
224.2637 25.02116
224.7458 24.43514
225.2279 23.65305
225.7100 22.61375
226.1922 21.40958
226.6743 20.63180
227.1564 20.60727
227.6385 20.84603
228.1206 20.99934
228.6027 21.05618
229.0849 20.87766
229.5670 20.13992
230.0491 19.08575
230.5312 18.38940
231.0133 18.20383
231.4954 18.40488
231.9776 19.01128
232.4597 20.10211
232.9418 21.04498
233.4239 21.44076
233.9060 21.41649
234.3881 21.07306
234.8703 20.21384
235.3524 19.23180
235.8345 18.68824
236.3166 18.66535
236.7987 18.73661
237.2808 18.66332
237.7630 18.55619
238.2451 18.56287
238.7272 18.77222
239.2093 19.06129
239.6914 19.28301
240.1735 19.50012
240.6557 19.42435
241.1378 18.64005
241.6199 17.62414
242.1020 16.80431
242.5841 16.31594
243.0662 16.17645
243.5484 16.54815
244.0305 17.80226
244.5126 18.50457
244.9947 17.97275
245.4768 16.90299
245.9589 15.83405
246.4410 14.95805
246.9232 14.23676
247.4053 13.57156
247.8874 12.95010
248.3695 12.34672
248.8516 11.75649
249.3337 11.22531
249.8159 10.82813
250.2980 10.57334
250.7801 10.31409
251.2622 9.779137
251.7443 8.813698
252.2264 7.921196
252.7086 7.239059
253.1907 6.575661
253.6728 5.752129
254.1549 4.741913
254.6370 3.699463
255.1191 2.828194
255.6013 2.078842
256.0834 1.650612
256.5655 1.756599
257.0476 1.962517
257.5297 1.978882
258.0118 1.763794
258.4940 1.478325
258.9761 1.346268
259.4582 1.445709
259.9403 1.501846
260.4224 1.517471
260.9045 1.500443
261.3867 1.504234
261.8688 1.505386
262.3509 1.383064
262.8330 0.9725490
263.3151 0.1394810
263.7972 0.4893720
264.2794 0.7738340
264.7615 1.013077
265.2436 1.441719
265.7257 2.018127
266.2078 2.488609
266.6899 2.593582
267.1721 2.275703
267.6542 1.921951
268.1363 1.479500
268.6184 1.056007
269.1005 0.6420670
269.5826 0.2795870
270.0648 9.2804000E-02
270.5469 0.2129060
271.0290 0.6553800
271.5111 0.9272160
271.9932 1.022972
272.4753 0.9965740
272.9575 0.7292020
273.4396 0.3374630
273.9217 0.1290050
274.4038 0.3393170
274.8859 0.9241330
275.3680 1.331146
275.8501 1.706543
276.3322 1.805908
276.8144 1.365753
277.2965 0.5825880
277.7786 0.1413730
278.2607 0.6088330
278.7428 0.8239290
279.2249 0.7686540
279.7071 1.5503000E-02
280.1892 0.4834440
280.6713 0.1689910
281.1534 0.6130450
281.6355 1.336113
282.1176 1.787666
282.5998 2.011856
283.0819 2.080910
283.5640 1.918335
284.0461 1.775063
284.5282 1.620415
285.0103 1.536301
285.4925 1.665771
285.9746 2.067398
286.4567 2.628670
286.9388 3.191254
287.4209 3.781044
287.9030 4.282143
288.3852 4.574585
288.8673 4.806168
289.3494 5.181221
289.8315 5.751137
290.3136 6.355141
290.7957 6.807030
291.2779 7.091118
291.7600 7.308861
292.2421 7.402435
292.7242 7.471107
293.2063 7.587227
293.6884 7.762718
294.1706 8.040703
294.6527 8.526337
295.1348 9.214020
295.6169 9.663315
296.0990 9.541107
296.5811 9.405617
297.0633 9.834328
297.5454 10.78540
298.0275 11.56084
298.5096 11.53852
298.9917 10.90220
299.4738 10.86771
299.9560 11.99543
300.4381 13.20090
300.9202 13.73738
301.4023 13.75506
301.8844 14.00900
302.3665 14.99744
302.8487 16.41919
303.3308 17.33992
303.8129 17.43144
304.2950 17.61156
304.7771 18.26017
305.2592 19.30684
305.7414 20.67287
306.2235 22.47026
306.7056 24.30811
307.1877 25.20023
307.6698 24.77192
308.1519 24.99605
308.6341 26.86216
309.1162 29.71822
309.5983 32.49761
310.0804 34.94176
310.5625 37.17818
311.0446 39.31242
311.5268 41.35382
312.0089 43.34949
312.4910 45.17016
312.9731 47.00771
313.4552 49.14305
313.9373 51.61921
314.4195 54.22810
314.9016 56.90784
315.3837 59.62077
315.8658 61.90100
316.3479 63.21175
316.8300 64.42873
317.3121 66.18354
317.7943 68.51109
318.2764 71.32578
318.7585 74.68777
319.2406 78.51016
319.7227 82.29041
320.2048 85.75622
320.6870 89.46333
321.1691 93.82764
321.6512 98.68481
322.1333 103.6169
322.6154 108.3857
323.0975 113.1111
323.5797 118.0150
324.0618 123.2238
324.5439 128.3702
325.0260 133.5589
325.5081 138.5982
325.9902 143.1254
326.4724 146.9876
326.9545 150.4558
327.4366 153.9715
327.9187 157.6095
328.4008 160.8518
328.8829 163.5515
329.3651 165.8040
329.8472 167.5444
330.3293 168.7646
330.8114 170.0036
331.2935 171.7330
331.7756 173.9931
332.2578 176.7491
332.7399 180.0426
333.2220 183.7566
333.7041 187.6240
334.1862 191.7297
334.6683 196.7589
335.1505 203.2077
335.6326 211.0135
336.1147 219.2061
336.5968 226.6841
337.0789 235.6951
337.5610 247.5285
338.0432 261.6449
338.5253 276.6633
339.0074 291.9041
339.4895 308.5894
339.9716 324.9048
340.4537 344.0679
340.9359 363.5199
341.4180 383.4298
341.9001 403.3174
342.3822 422.9479
342.8643 442.1892
343.3464 459.9124
343.8286 474.7044
344.3107 486.5419
344.7928 493.9682
345.2749 496.6154
345.7570 495.0181
346.2391 489.5693
346.7213 480.3376
347.2034 466.7899
347.6855 448.1523
348.1676 424.0587
348.6497 399.8928
349.1318 375.2550
349.6140 350.9651
350.0961 327.0784
350.5782 304.0039
351.0603 282.2817
351.5424 262.2704
352.0245 244.0747
352.5067 228.0710
352.9888 214.9297
353.4709 203.1662
353.9530 192.6868
354.4351 183.4875
354.9172 175.5576
355.3994 168.9072
355.8815 163.4757
356.3636 159.1330
356.8457 156.2459
357.3278 153.7675
357.8099 151.6055
358.2920 149.9037
358.7741 148.6276
359.2563 147.8328
359.7384 147.7732
360.2205 148.7304
360.7026 150.7710
361.1847 153.2852
361.6668 156.5417
362.1490 159.9638
362.6311 163.2101
363.1132 166.5285
363.5953 170.3719
364.0774 175.0481
364.5595 180.3730
365.0417 185.5722
365.5238 190.2805
366.0059 195.3261
366.4880 201.1321
366.9701 207.1154
367.4522 212.7713
367.9344 217.9104
368.4165 222.6445
368.8986 227.3897
369.3807 232.8763
369.8628 236.2142
370.3449 236.3899
370.8271 235.3388
371.3092 233.9507
371.7913 232.3221
372.2734 230.0529
372.7555 226.8236
373.2376 222.6479
373.7198 217.5123
374.2019 210.9924
374.6840 203.9364
375.1661 196.7298
375.6482 189.1794
376.1303 180.9753
376.6125 171.8226
377.0946 162.1403
377.5767 152.7458
378.0588 143.5653
378.5409 134.9010
379.0230 126.9300
379.5052 119.4092
379.9873 112.2138
380.4694 105.3219
380.9515 98.71727
381.4336 92.43713
381.9157 86.46987
382.3979 80.72622
382.8800 75.06784
383.3621 69.83348
383.8442 65.14127
384.3263 60.98224
384.8084 57.19389
385.2906 53.94560
385.7727 51.03591
386.2548 47.78379
386.7369 44.04181
387.2190 40.63899
387.7011 38.27478
388.1833 36.44764
388.6654 34.46405
389.1475 32.09453
389.6296 29.72285
390.1117 27.75971
390.5938 26.14531
391.0760 24.43761
391.5581 22.36440
392.0402 20.28181
392.5223 18.73014
393.0044 17.74252
393.4865 16.76646
393.9687 15.54070
394.4508 14.20810
394.9329 12.99189
395.4150 11.91227
395.8971 10.99702
396.3792 10.36130
396.8614 9.959476
397.3435 9.284348
397.8256 7.836407
398.3077 6.516132
398.7898 6.029995
399.2719 6.203636
399.7540 6.388180
400.2361 6.276821
400.7183 5.943893
401.2004 5.598549
401.6825 5.277157
402.1646 4.883488
402.6467 4.270176
403.1288 3.634933
403.6110 3.260174
404.0931 3.197208
404.5752 3.195324
405.0573 2.947323
405.5394 2.377518
406.0215 1.954330
406.5037 1.733368
406.9858 1.587234
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407.9500 1.382122
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408.9142 1.279514
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409.8785 1.134209
410.3606 0.6943210
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415.1818 1.038258
415.6639 1.342754
416.1460 1.339058
416.6281 1.099636
417.1102 0.8124620
417.5923 0.5765880
418.0745 0.3996580
418.5566 0.2981570
419.0387 0.2426220
419.5208 0.3340910
420.0029 0.6893620
420.4850 1.147579
420.9672 1.620235
421.4493 2.092712
421.9314 2.406193
422.4135 2.342461
422.8956 1.917931
423.3777 1.463512
423.8599 0.9502410
424.3420 0.5286450
424.8241 0.3236310
425.3062 0.2968900
425.7883 0.3152660
426.2704 0.4158590
426.7526 0.4877320
427.2347 0.2553980
427.7168 0.3128590
428.1989 0.6336020
428.6810 0.2096790
429.1631 0.5704380
429.6453 0.8115080
430.1274 0.2763370
430.6095 0.2639050
431.0916 0.3913960
431.5737 0.2602460
432.0558 0.1696620
432.5380 0.1937940
433.0201 0.2724690
433.5022 0.3664250
433.9843 0.4881970
434.4664 0.4588510
434.9485 5.6026001E-02
435.4307 0.3165050
435.9128 0.3348200
436.3949 7.4524000E-02
436.8770 0.1701620
437.3591 0.2294080
437.8412 0.1431660
438.3234 6.2766999E-02
438.8055 3.2806002E-02
439.2876 4.9725000E-02
439.7697 0.2336850
440.2518 0.4486690
440.7339 0.7078630
441.2160 0.9718320
441.6982 1.034069
442.1803 0.5650060
442.6624 0.5971950
443.1445 1.113400
443.6266 0.3677100
444.1087 0.3958020
444.5909 0.9288520
445.0730 1.196362
445.5551 1.150780
446.0372 0.7351530
446.5193 0.1450040
447.0014 0.1743740
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