#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:43 +0300 (Thu, 24 May 2018) $
#$Revision: 893 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000371.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_1000371
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 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            R060099.rod
_rod_data_source.block           3500000
_rod_database.code               1000371
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
98.30884 0.0000000E+00
98.79095 0.7861630
99.27307 0.9668960
99.75519 0.6891330
100.2373 0.8902360
100.7194 1.599808
101.2015 2.025269
101.6837 1.629845
102.1658 1.011978
102.6479 0.6525650
103.1300 0.5038830
103.6121 0.3291090
104.0942 0.6232910
104.5764 1.433121
105.0585 1.852379
105.5406 1.824074
106.0227 1.770706
106.5048 2.434433
106.9869 2.137306
107.4691 1.993584
107.9512 2.625893
108.4333 3.407684
108.9154 3.776810
109.3975 3.251198
109.8796 1.601067
110.3618 0.5670850
110.8439 0.4533770
111.3260 0.7467040
111.8081 1.561676
112.2902 2.668564
112.7723 3.532051
113.2544 3.307312
113.7366 0.9641650
114.2187 0.5068660
114.7008 0.6214370
115.1829 0.1842500
115.6650 0.1139450
116.1471 2.6749000E-02
116.6293 0.2799220
117.1114 0.4259030
117.5935 0.3853070
118.0756 0.2736740
118.5577 3.7407000E-02
119.0398 0.2572250
119.5220 0.4378360
120.0041 0.3738020
120.4862 0.1886670
120.9683 0.1402970
121.4504 0.2009890
121.9325 0.4298550
122.4147 1.066742
122.8968 2.173813
123.3789 2.923721
123.8610 2.479408
124.3431 1.584396
124.8252 0.9038160
125.3074 0.6550600
125.7895 0.7142940
126.2716 0.8149570
126.7537 0.8655320
127.2358 1.149323
127.7179 1.928871
128.2001 2.913940
128.6822 3.731377
129.1643 4.131111
129.6464 4.145836
130.1285 4.174156
130.6107 4.233002
131.0928 4.291054
131.5749 4.276649
132.0570 4.246826
132.5391 4.332382
133.0212 4.664658
133.5034 5.300552
133.9855 5.806587
134.4676 6.011215
134.9497 6.250893
135.4318 6.717682
135.9139 7.425743
136.3960 8.274918
136.8782 9.203903
137.3603 10.26586
137.8424 11.03421
138.3245 11.25027
138.8066 11.24802
139.2887 11.39426
139.7709 11.76463
140.2530 12.29340
140.7351 12.97686
141.2172 13.79557
141.6993 14.53970
142.1814 15.02686
142.6636 15.33885
143.1457 15.81299
143.6278 16.67548
144.1099 17.53456
144.5920 17.96988
145.0741 17.98911
145.5563 18.09249
146.0384 18.77039
146.5205 20.08683
147.0026 21.41587
147.4847 22.65300
147.9668 23.87586
148.4490 25.16214
148.9311 26.51312
149.4132 27.83727
149.8953 28.96765
150.3774 29.77413
150.8595 30.65584
151.3417 31.62578
151.8238 32.67440
152.3059 33.77366
152.7880 34.90877
153.2701 36.12781
153.7522 37.54086
154.2344 39.69926
154.7165 41.39374
155.1986 42.19326
155.6807 42.61186
156.1628 43.46319
156.6449 44.92034
157.1271 46.82224
157.6092 48.52025
158.0913 50.08479
158.5734 51.43837
159.0555 52.38326
159.5376 53.06720
160.0198 53.89272
160.5019 55.11929
160.9840 56.64383
161.4661 57.99109
161.9482 58.77911
162.4303 59.79739
162.9125 62.04517
163.3946 65.44450
163.8767 68.04609
164.3588 67.99091
164.8409 66.54247
165.3230 65.84650
165.8052 66.41357
166.2873 67.74496
166.7694 69.46137
167.2515 71.87487
167.7336 73.56782
168.2157 73.65984
168.6979 72.76035
169.1800 71.56041
169.6621 70.59055
170.1442 69.32674
170.6263 66.10213
171.1084 59.58386
171.5906 53.09774
172.0727 47.59191
172.5548 42.80228
173.0369 38.26579
173.5190 33.62610
174.0011 28.94788
174.4833 24.95082
174.9654 22.10937
175.4475 19.58208
175.9296 17.25989
176.4117 15.13982
176.8938 13.22775
177.3760 11.54768
177.8581 10.10267
178.3402 8.643097
178.8223 6.907646
179.3044 5.413399
179.7865 4.468674
180.2687 3.965233
180.7508 3.546440
181.2329 2.888496
181.7150 1.946091
182.1971 1.354744
182.6792 1.281555
183.1614 1.362984
183.6435 1.367889
184.1256 1.298599
184.6077 1.355286
185.0898 1.780457
185.5719 2.599899
186.0541 3.166962
186.5362 3.208214
187.0183 3.137108
187.5004 3.290024
187.9825 3.699753
188.4646 4.343475
188.9468 5.420670
189.4289 6.801315
189.9110 7.847572
190.3931 8.082909
190.8752 8.024620
191.3573 8.577538
191.8395 10.01615
192.3216 11.47195
192.8037 12.02496
193.2858 12.05299
193.7679 12.44232
194.2500 13.77439
194.7322 15.79037
195.2143 17.75648
195.6964 19.90906
196.1785 21.55417
196.6606 21.99404
197.1427 21.70721
197.6249 21.75425
198.1070 23.03962
198.5891 25.40663
199.0712 27.22837
199.5533 27.79657
200.0354 28.65624
200.5176 30.51146
200.9997 33.07251
201.4818 35.68953
201.9639 37.96918
202.4460 39.93480
202.9281 41.51390
203.4103 42.13509
203.8924 42.92586
204.3745 44.24760
204.8566 45.98816
205.3387 47.81438
205.8208 49.51761
206.3030 51.13411
206.7851 52.70496
207.2672 54.38541
207.7493 55.84933
208.2314 56.90496
208.7135 57.62250
209.1957 58.19767
209.6778 58.74483
210.1599 59.20335
210.6420 59.79448
211.1241 61.01843
211.6062 61.97229
212.0884 62.20672
212.5705 61.71294
213.0526 60.70956
213.5347 59.25423
214.0168 57.21782
214.4989 55.53680
214.9811 54.53401
215.4632 53.63715
215.9453 52.51217
216.4274 51.10605
216.9095 49.53175
217.3916 47.92549
217.8737 46.25473
218.3559 44.30894
218.8380 41.83000
219.3201 39.23653
219.8022 36.82314
220.2843 34.61259
220.7664 32.60611
221.2486 30.81133
221.7307 29.23014
222.2128 27.91480
222.6949 27.19504
223.1770 26.57709
223.6591 25.46134
224.1413 23.77641
224.6234 21.97507
225.1055 20.24966
225.5876 18.65133
226.0697 17.31925
226.5518 16.28565
227.0340 15.54536
227.5161 15.19446
227.9982 15.35811
228.4803 15.47218
228.9624 15.09109
229.4445 14.48660
229.9267 14.02164
230.4088 13.93345
230.8909 13.97298
231.3730 13.65558
231.8551 12.89314
232.3372 11.98505
232.8194 10.82443
233.3015 9.667191
233.7836 8.831970
234.2657 8.483208
234.7478 8.476768
235.2299 8.540733
235.7121 8.819611
236.1942 8.859314
236.6763 8.407738
237.1584 7.739685
237.6405 7.137123
238.1227 6.722252
238.6048 6.424545
239.0869 6.051094
239.5690 5.480591
240.0511 5.054863
240.5332 4.924339
241.0154 4.907204
241.4975 4.794876
241.9796 4.495148
242.4617 4.137718
242.9438 4.086670
243.4259 4.744713
243.9081 5.061913
244.3902 4.942764
244.8723 4.464958
245.3544 3.517220
245.8365 2.077332
246.3186 0.5560070
246.8008 8.1261002E-02
247.2829 1.065163
247.7650 1.843254
248.2471 1.909515
248.7292 1.717461
249.2113 1.733070
249.6935 2.104172
250.1756 2.572372
250.6577 2.622551
251.1398 1.832253
251.6219 1.207436
252.1040 0.7999190
252.5862 0.5247040
253.0683 0.3116990
253.5504 0.1405720
254.0325 3.1883001E-02
254.5146 2.9587001E-02
254.9967 0.2620850
255.4789 0.3578640
255.9610 0.3469470
256.4431 0.1881480
256.9252 0.2957990
257.4073 1.112373
257.8894 1.866631
258.3716 1.990929
258.8537 1.111229
259.3358 0.5466080
259.8179 0.3280110
260.3000 0.4000400
260.7821 0.8992230
261.2643 1.807983
261.7464 2.613647
262.2285 2.692169
262.7106 1.818039
263.1927 1.268318
263.6748 1.335815
264.1570 1.561668
264.6391 1.525650
265.1212 1.194138
265.6033 0.8800960
266.0854 0.9453580
266.5675 1.402657
267.0497 1.499702
267.5318 0.9050140
268.0139 0.1633220
268.4960 0.3731000
268.9781 0.6704640
269.4602 0.6825790
269.9424 0.2125630
270.4245 0.6193080
270.9066 0.9858090
271.3887 0.3443910
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272.3529 0.3449940
272.8351 0.3728560
273.3172 1.036087
273.7993 1.201378
274.2814 0.9537120
274.7635 0.6912310
275.2456 0.4059450
275.7278 0.1240460
276.2099 0.1218870
276.6920 0.3387220
277.1741 0.5908580
277.6562 0.9433980
278.1383 1.324142
278.6205 1.552719
279.1026 1.499100
279.5847 1.577400
280.0668 2.379318
280.5489 3.709747
281.0310 4.284813
281.5132 3.201286
281.9953 1.604790
282.4774 1.217514
282.9595 2.230965
283.4416 3.286453
283.9237 3.419556
284.4059 2.870201
284.8880 2.682175
285.3701 3.251869
285.8522 4.068604
286.3343 4.557182
286.8164 4.735878
287.2986 4.960503
287.7807 5.462502
288.2628 6.165825
288.7449 6.842995
289.2270 7.524078
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290.1913 8.188850
290.6734 8.041885
291.1555 8.097725
291.6376 8.668808
292.1197 9.589569
292.6018 10.52962
293.0840 11.54623
293.5661 12.39249
294.0482 12.73267
294.5303 12.80708
295.0124 13.06377
295.4945 13.74131
295.9767 14.66519
296.4588 15.56603
296.9409 16.47726
297.4230 17.25024
297.9051 17.59602
298.3872 17.82860
298.8694 18.32883
299.3515 19.23396
299.8336 20.39799
300.3157 21.74341
300.7978 23.34833
301.2799 24.69927
301.7621 25.25031
302.2442 25.63911
302.7263 26.46217
303.2084 27.86790
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304.1726 30.89246
304.6548 32.11888
305.1369 33.31750
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310.4402 56.27379
310.9223 58.95798
311.4044 61.75162
311.8865 64.77107
312.3686 67.83538
312.8507 70.09283
313.3329 71.08742
313.8150 71.99780
314.2971 73.61566
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315.2613 77.24969
315.7434 78.28899
316.2256 78.93662
316.7077 79.70877
317.1898 80.67623
317.6719 81.49572
318.1540 81.50397
318.6361 81.44672
319.1183 82.24709
319.6004 84.34129
320.0825 87.00693
320.5646 89.06057
321.0467 90.23804
321.5288 92.32093
322.0110 96.64899
322.4931 101.6922
322.9752 106.2557
323.4573 110.1261
323.9394 113.9542
324.4215 118.3048
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325.3858 128.3157
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328.2785 164.0233
328.7606 169.2270
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329.7248 181.1175
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335.0281 250.5410
335.5102 258.4821
335.9923 265.6083
336.4745 272.6154
336.9566 280.1583
337.4387 288.1745
337.9208 297.3019
338.4029 308.3969
338.8850 320.3212
339.3671 331.8351
339.8492 342.8553
340.3314 354.0170
340.8135 365.6084
341.2956 377.7495
341.7777 390.7454
342.2598 405.2620
342.7419 419.7722
343.2241 433.2260
343.7062 445.7036
344.1883 457.1593
344.6704 468.0091
345.1525 477.7682
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346.1168 491.5789
346.5989 495.0710
347.0810 495.3260
347.5631 492.5913
348.0452 486.6179
348.5273 476.9045
349.0095 464.3486
349.4916 449.5922
349.9737 432.6802
350.4558 414.3356
350.9379 394.3533
351.4200 373.3974
351.9022 352.5222
352.3843 331.6847
352.8664 311.7089
353.3485 292.9079
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354.3127 259.2430
354.7949 244.8882
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355.7591 220.9256
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357.2054 192.3106
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358.1697 175.4733
358.6518 169.6142
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360.0981 158.9339
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369.7405 145.6155
370.2226 144.4671
370.7047 142.8353
371.1868 140.7450
371.6689 138.2853
372.1511 135.4641
372.6332 132.2552
373.1153 129.1454
373.5974 126.7494
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374.5616 119.5185
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375.5259 108.6368
376.0080 103.3203
376.4901 98.19704
376.9722 93.17319
377.4543 88.15260
377.9365 83.36345
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379.3828 70.65974
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380.3470 64.45890
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381.7934 50.92021
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383.7219 38.14558
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387.0967 23.56827
387.5788 20.23502
388.0609 17.95174
388.5430 17.31891
389.0251 17.55315
389.5073 17.05674
389.9894 15.42336
390.4715 13.87988
390.9536 12.36296
391.4357 11.04039
391.9178 10.06023
392.4000 9.406883
392.8821 8.912262
393.3642 8.447105
393.8463 8.012878
394.3284 7.505287
394.8105 6.831566
395.2927 6.182877
395.7748 5.636528
396.2569 5.156929
396.7390 4.653191
397.2211 4.049187
397.7032 3.463707
398.1854 3.211014
398.6675 3.418144
399.1496 3.570793
399.6317 3.537796
400.1138 3.386826
400.5959 3.173386
401.0781 2.906326
401.5602 2.517311
402.0423 1.878510
402.5244 1.019737
403.0065 0.2109300
403.4886 0.7043990
403.9708 1.258614
404.4529 0.8952180
404.9350 7.4882999E-02
405.4171 0.7751460
405.8992 0.7013700
406.3813 0.2065660
406.8635 0.2531510
407.3456 0.7028430
407.8277 0.8578110
408.3098 0.2047350
408.7919 0.6426930
409.2740 0.5475460
409.7562 0.9809880
410.2383 2.323677
410.7204 2.267105
411.2025 1.237396
411.6846 0.4920810
412.1667 0.3772280
412.6489 0.5254970
413.1310 0.5025940
413.6131 0.3145070
414.0952 0.1864700
414.5773 6.0532000E-02
415.0594 7.5714000E-02
415.5416 0.4912340
416.0237 1.255669
416.5058 1.922684
416.9879 2.232071
417.4700 2.189476
417.9521 1.837677
418.4343 0.6566930
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