#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:51 +0300 (Thu, 24 May 2018) $
#$Revision: 693 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000206.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_1000206
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        R060099
_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            R060099.rod
_rod_data_source.block           3500000
_rod_database.code               1000206
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
141.0473 0.0000000E+00
141.5294 0.5580060
142.0115 0.1307450
142.4937 0.4791490
142.9758 1.371925
143.4579 2.338219
143.9400 3.445236
144.4221 3.987167
144.9042 3.577751
145.3864 2.785339
145.8685 2.588448
146.3506 3.103790
146.8327 4.027138
147.3148 5.275261
147.7969 6.842819
148.2791 8.677567
148.7612 10.93739
149.2433 13.42741
149.7254 15.74751
150.2075 17.82858
150.6896 19.78717
151.1718 21.65377
151.6539 23.29738
152.1360 25.13634
152.6181 27.28395
153.1002 29.62644
153.5823 31.86063
154.0645 33.92484
154.5466 35.92638
155.0287 37.91453
155.5108 40.04560
155.9929 42.02097
156.4750 43.69582
156.9572 45.14487
157.4393 46.63681
157.9214 48.03378
158.4035 49.62164
158.8856 51.58055
159.3677 54.74933
159.8499 57.50460
160.3320 58.97865
160.8141 59.48305
161.2962 60.94283
161.7783 64.20670
162.2604 67.84586
162.7426 70.91898
163.2247 72.84027
163.7068 74.86306
164.1889 77.26891
164.6710 79.48600
165.1531 81.95814
165.6353 85.56738
166.1174 89.64151
166.5995 93.47578
167.0816 96.92284
167.5637 99.98426
168.0458 102.9841
168.5280 105.8892
169.0101 107.6235
169.4922 107.9557
169.9743 106.6040
170.4564 103.1415
170.9385 96.48375
171.4207 88.19584
171.9028 79.09930
172.3849 69.20625
172.8670 59.89899
173.3491 52.31708
173.8312 46.00767
174.3134 40.08427
174.7955 33.94662
175.2776 28.12005
175.7597 23.25063
176.2418 19.35081
176.7239 16.29707
177.2061 14.25397
177.6882 12.93137
178.1703 11.57834
178.6524 9.781937
179.1345 7.712074
179.6166 5.568817
180.0988 3.281502
180.5809 1.244637
181.0630 7.4326001E-02
181.5451 0.7635190
182.0272 1.119255
182.5093 1.173340
182.9915 1.018044
183.4736 0.8476410
183.9557 0.6539920
184.4378 0.5189900
184.9199 0.5778880
185.4020 0.8112640
185.8842 1.080910
186.3663 1.477905
186.8484 1.881905
187.3305 1.764442
187.8126 0.9819640
188.2947 6.0927998E-02
188.7769 0.7302700
189.2590 1.041237
189.7411 1.293564
190.2232 1.576332
190.7053 1.914261
191.1874 2.479073
191.6696 3.302879
192.1517 4.339394
192.6338 5.602211
193.1159 7.102676
193.5980 8.520264
194.0801 9.551338
194.5623 10.23322
195.0444 11.18932
195.5265 12.49786
196.0086 14.08026
196.4907 15.80926
196.9728 17.74845
197.4550 19.49739
197.9371 20.65910
198.4192 21.24635
198.9013 22.36795
199.3834 24.28653
199.8655 26.68832
200.3477 29.01457
200.8298 31.34299
201.3119 33.34346
201.7940 34.65930
202.2761 35.19740
202.7582 36.09929
203.2404 37.47972
203.7225 39.31126
204.2046 41.58154
204.6867 44.41737
205.1688 47.12041
205.6509 49.15135
206.1331 50.39713
206.6152 51.97523
207.0973 54.13737
207.5794 56.64035
208.0615 58.60896
208.5436 59.82930
209.0258 60.94536
209.5079 62.53008
209.9900 64.85155
210.4721 66.41266
210.9542 66.95773
211.4363 66.71539
211.9185 66.39770
212.4006 65.96911
212.8827 65.45842
213.3648 64.99344
213.8469 64.72425
214.3290 64.07172
214.8112 62.89966
215.2933 61.24865
215.7754 59.35241
216.2575 57.10646
216.7396 54.83945
217.2217 52.74368
217.7039 50.82612
218.1860 49.10722
218.6681 47.72697
219.1502 46.51579
219.6323 44.94113
220.1144 42.96755
220.5966 40.72484
221.0787 38.22169
221.5608 35.23473
222.0429 32.60672
222.5250 30.40601
223.0071 28.60699
223.4893 27.21666
223.9714 26.34504
224.4535 25.69274
224.9356 25.17405
225.4177 25.07096
225.8998 24.38622
226.3820 22.83076
226.8641 20.68493
227.3462 18.92371
227.8283 17.48358
228.3104 16.51994
228.7925 16.23576
229.2747 17.15746
229.7568 17.53352
230.2389 17.10556
230.7210 16.12603
231.2031 15.40155
231.6852 14.99881
232.1674 14.75029
232.6495 14.63895
233.1316 14.92593
233.6137 14.72038
234.0958 13.69051
234.5779 12.22201
235.0601 11.49048
235.5422 12.06562
236.0243 12.54294
236.5064 12.21153
236.9885 10.43622
237.4706 9.277695
237.9528 8.955673
238.4349 9.186028
238.9170 9.343307
239.3991 9.614250
239.8812 9.564812
240.3633 8.914574
240.8455 7.180130
241.3276 6.134468
241.8097 6.154785
242.2918 6.733444
242.7739 6.714020
243.2560 5.682503
243.7382 4.664162
244.2203 4.071945
244.7024 4.121651
245.1845 4.008331
245.6666 3.652504
246.1487 3.250114
246.6309 3.145004
247.1130 3.563248
247.5951 3.851509
248.0772 3.768982
248.5593 3.241104
249.0414 2.580498
249.5236 1.588051
250.0057 0.5795360
250.4878 0.1080930
250.9699 0.4725040
251.4520 0.8416900
251.9341 0.9450840
252.4163 0.7292860
252.8984 0.5235060
253.3805 0.3738170
253.8626 0.1960680
254.3447 0.1695100
254.8268 0.9101100
255.3090 1.468491
255.7911 1.682434
256.2732 1.535866
256.7553 1.163727
257.2374 0.3930970
257.7195 0.4358060
258.2017 0.8973620
258.6838 0.8901750
259.1659 0.7577210
259.6480 0.5842130
260.1301 0.3741530
260.6122 2.0900001E-03
261.0944 0.7054290
261.5765 1.376137
262.0586 1.569939
262.5407 1.065201
263.0228 0.6933820
263.5049 0.6371840
263.9871 0.8868870
264.4692 1.284477
264.9513 1.976128
265.4334 2.587158
265.9155 2.717224
266.3976 2.199097
266.8798 1.762383
267.3619 1.545975
267.8440 1.525246
268.3261 1.554260
268.8082 1.695015
269.2903 1.756454
269.7725 1.487984
270.2546 0.7503590
270.7367 0.3925480
271.2188 0.7351380
271.7009 1.515923
272.1830 1.516876
272.6652 0.4913100
273.1473 0.6359860
273.6294 1.271492
274.1115 1.369514
274.5936 1.156662
275.0757 0.4963380
275.5579 0.3520580
276.0400 0.5700230
276.5221 4.6096999E-02
277.0042 0.6529620
277.4863 1.249306
277.9684 1.745850
278.4506 2.079720
278.9327 2.225632
279.4148 2.234390
279.8969 2.151237
280.3790 1.945473
280.8611 1.868500
281.3433 2.072731
281.8254 2.559174
282.3075 3.160927
282.7896 3.938484
283.2717 4.696854
283.7538 5.058067
284.2360 5.006592
284.7181 4.978157
285.2002 5.273544
285.6823 5.825775
286.1644 5.882858
286.6465 5.301468
287.1287 4.736931
287.6108 5.253952
288.0929 6.781540
288.5750 8.024628
289.0571 8.319939
289.5392 7.942825
290.0214 7.931206
290.5035 8.288383
290.9856 8.959534
291.4677 10.11862
291.9498 11.65703
292.4319 12.85837
292.9141 13.46313
293.3962 13.63028
293.8783 13.51835
294.3604 13.12050
294.8425 13.04140
295.3246 14.08307
295.8068 15.92726
296.2889 17.46535
296.7710 18.35651
297.2531 18.93438
297.7352 19.68266
298.2173 20.59103
298.6995 21.61063
299.1816 22.77621
299.6637 24.01655
300.1458 25.12695
300.6279 26.02544
301.1100 26.90337
301.5922 27.96210
302.0743 29.18789
302.5564 30.52390
303.0385 31.75778
303.5206 33.14017
304.0027 35.19212
304.4849 38.09904
304.9670 41.09459
305.4491 43.36494
305.9312 45.12529
306.4133 46.89278
306.8954 48.60943
307.3776 50.63493
307.8597 53.51030
308.3418 57.35797
308.8239 61.15290
309.3060 63.75851
309.7881 65.86949
310.2703 68.49742
310.7524 72.36773
311.2345 76.70598
311.7166 81.08615
312.1987 85.47207
312.6808 89.55071
313.1630 93.47083
313.6451 96.94962
314.1272 99.71370
314.6093 101.4033
315.0914 102.6104
315.5735 103.2491
316.0557 103.4336
316.5378 103.9457
317.0199 105.3300
317.5020 107.0393
317.9841 108.6454
318.4662 109.5116
318.9484 110.9912
319.4305 113.9676
319.9126 117.9671
320.3947 121.7165
320.8768 124.1219
321.3589 126.6915
321.8411 130.2004
322.3232 134.9194
322.8053 140.0222
323.2874 145.7383
323.7695 151.7047
324.2516 157.3398
324.7338 161.2049
325.2159 165.9348
325.6980 172.8235
326.1801 182.7295
326.6622 191.2190
327.1443 196.5114
327.6265 200.9693
328.1086 207.0045
328.5907 216.4036
329.0728 225.2752
329.5549 232.8269
330.0370 239.1102
330.5192 245.7227
331.0013 253.0669
331.4834 260.3802
331.9655 267.2126
332.4476 273.3496
332.9297 279.3595
333.4119 284.9249
333.8940 290.3279
334.3761 296.8562
334.8582 304.8097
335.3403 313.1416
335.8224 321.1721
336.3046 328.4621
336.7867 336.8173
337.2688 346.4139
337.7509 357.0247
338.2330 368.4318
338.7151 380.5292
339.1973 393.5192
339.6794 407.8047
340.1615 423.3223
340.6436 438.8495
341.1257 454.1294
341.6078 469.6516
342.0900 486.1691
342.5721 503.4568
343.0542 521.1702
343.5363 539.4440
344.0184 557.8600
344.5005 575.5436
344.9827 592.5719
345.4648 607.3026
345.9469 618.1317
346.4290 625.2480
346.9111 629.1755
347.3932 630.1800
347.8754 627.9528
348.3575 622.0593
348.8396 612.4956
349.3217 598.8098
349.8038 579.3721
350.2859 555.7310
350.7681 531.3270
351.2502 506.3411
351.7323 481.4062
352.2144 457.0295
352.6965 433.1580
353.1786 410.3438
353.6608 388.7140
354.1429 368.3370
354.6250 349.0512
355.1071 330.8286
355.5892 314.5569
356.0714 301.4220
356.5535 290.5807
357.0356 280.7857
357.5177 271.2605
357.9998 262.8976
358.4819 256.8100
358.9641 252.6821
359.4462 249.2142
359.9283 245.5112
360.4104 242.3314
360.8925 240.3614
361.3746 240.1826
361.8568 240.4536
362.3389 240.6026
362.8210 240.8022
363.3031 241.4464
363.7852 243.0576
364.2673 244.8843
364.7495 246.4537
365.2316 247.4333
365.7137 248.7618
366.1958 250.9765
366.6779 253.5547
367.1600 255.8927
367.6422 257.8292
368.1243 259.6179
368.6064 261.4208
369.0885 263.2652
369.5706 264.5572
370.0527 265.7551
370.5349 266.0658
371.0170 264.9347
371.4991 261.8199
371.9812 258.2314
372.4633 254.3707
372.9454 250.0849
373.4276 244.9540
373.9097 238.9306
374.3918 232.0366
374.8739 224.3327
375.3560 215.5987
375.8381 206.6707
376.3203 197.6489
376.8024 188.4345
377.2845 178.7402
377.7666 168.4964
378.2487 158.5437
378.7308 149.3808
379.2130 140.8257
379.6951 132.5330
380.1772 124.4198
380.6593 116.6262
381.1414 109.1733
381.6235 102.1120
382.1057 95.24505
382.5878 88.51727
383.0699 82.08176
383.5520 76.35426
384.0341 71.24251
384.5162 66.34400
384.9984 61.04733
385.4805 55.77556
385.9626 51.53448
386.4447 48.54755
386.9268 45.91750
387.4089 42.73000
387.8911 39.18481
388.3732 35.80727
388.8553 32.76872
389.3374 30.03101
389.8195 27.72473
390.3016 25.84837
390.7838 23.91479
391.2659 21.38066
391.7480 18.76432
392.2301 16.62828
392.7122 15.42752
393.1943 14.32323
393.6765 12.80322
394.1586 11.05765
394.6407 9.654648
395.1228 9.106590
395.6049 8.687881
396.0870 7.975899
396.5692 6.761749
397.0513 5.801521
397.5334 5.556221
398.0155 5.537521
398.4976 5.139542
398.9797 3.543045
399.4619 2.370651
399.9440 2.129639
400.4261 2.812698
400.9082 3.101158
401.3903 2.774368
401.8724 2.259148
402.3546 1.818283
402.8367 1.501984
403.3188 1.157684
403.8009 0.7588500
404.2830 0.3351670
404.7651 5.1337998E-02
405.2473 0.4133150
405.7294 0.6862180
406.2115 0.8066410
406.6936 0.7657700
407.1757 0.8386080
407.6578 1.065773
408.1400 1.295921
408.6221 1.328186
409.1042 1.167068
409.5863 1.032127
410.0684 0.9731290
410.5505 0.9837720
411.0327 1.071899
411.5148 1.235901
411.9969 1.403877
412.4790 1.512817
412.9611 1.590767
413.4432 1.683144
413.9254 1.780525
414.4075 1.959099
414.8896 2.490768
415.3717 3.178833
415.8538 3.552956
416.3359 3.130569
416.8181 2.456238
417.3002 2.018875
417.7823 1.819786
418.2644 1.648369
418.7465 1.357460
419.2286 1.041801
419.7108 0.7909470
420.1929 0.5813520
420.6750 0.5022350
421.1571 0.9418560
421.6392 1.569435
422.1213 1.510124
422.6035 0.3362880
423.0856 2.169777
423.5677 3.194756
424.0498 3.082314
424.5319 3.105743
425.0140 3.366257
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425.9783 4.396698
426.4604 5.419044
426.9425 6.160889
427.4246 6.426392
427.9067 6.296074
428.3889 6.319824
428.8710 6.573257
429.3531 6.847458
429.8352 6.992912
430.3173 6.944046
430.7994 7.102524
431.2816 7.515678
431.7637 8.074898
432.2458 8.686180
432.7279 9.366913
433.2100 9.768517
433.6921 9.622276
434.1743 9.121994
434.6564 9.036888
435.1385 9.377533
435.6206 9.758430
436.1027 9.736992
436.5848 9.494209
437.0670 9.591370
437.5491 10.26569
438.0312 10.98087
438.5133 11.00110
438.9954 10.55276
439.4775 10.26199
439.9597 10.69756
440.4418 11.28097
440.9239 11.51283
441.4060 11.36524
441.8881 11.01279
442.3702 10.29176
442.8524 9.539391
443.3345 9.078644
443.8166 9.209946
444.2987 9.391594
444.7808 9.549889
445.2629 9.642616
445.7451 9.546394
446.2272 9.128212
446.7093 8.610069
447.1914 8.009583
447.6735 7.198555
448.1556 6.739853
448.6378 6.697014
449.1199 6.965729
449.6020 7.542892
450.0841 8.873222
450.5662 9.531509
451.0483 9.119064
451.5305 7.876373
452.0126 6.839851
452.4947 5.976089
452.9768 5.395210
453.4589 5.210602
453.9410 5.430779
454.4232 5.731216
454.9053 6.150841
455.3874 6.506248
455.8695 6.578545
456.3516 6.378929
456.8337 5.970314
457.3159 5.200378
457.7980 4.373741
458.2801 4.073013
458.7622 4.250679
459.2443 4.571167
459.7264 4.842255
460.2086 5.107689
460.6907 5.426270
461.1728 5.798920
461.6549 6.195084
462.1370 6.606438
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