#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:19 +0300 (Thu, 24 May 2018) $
#$Revision: 902 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000380.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_1000380
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        R060450
_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            R060450.rod
_rod_data_source.block           3500000
_rod_database.code               1000380
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
94.61664 0.0000000E+00
95.09875 6.5861002E-02
95.58087 4.7577001E-02
96.06299 0.1679000
96.54510 0.6041870
97.02721 0.9815860
97.50933 1.363258
97.99145 1.661285
98.47356 1.830818
98.95568 1.731289
99.43780 1.304474
99.91991 1.121708
100.4020 1.144329
100.8841 1.218004
101.3663 1.442024
101.8484 1.475792
102.3305 1.492643
102.8126 1.478157
103.2947 1.485598
103.7768 1.347658
104.2590 0.9785080
104.7411 0.6013110
105.2232 0.4214670
105.7053 0.5090270
106.1874 0.6503220
106.6695 0.5211120
107.1517 0.1555710
107.6338 7.3252000E-02
108.1159 0.1430490
108.5980 6.7991003E-02
109.0801 0.1088790
109.5622 3.7661001E-02
110.0444 2.7840000E-02
110.5265 0.1289480
111.0086 0.4453700
111.4907 0.7969250
111.9728 1.011124
112.4549 1.064857
112.9371 1.006456
113.4192 0.7280350
113.9013 0.4163150
114.3834 0.2012160
114.8655 0.1264040
115.3476 0.1541230
115.8298 0.1931900
116.3119 0.2786770
116.7940 0.3482740
117.2761 0.4058480
117.7582 0.4427320
118.2403 0.4483680
118.7225 0.4164870
119.2046 0.3482670
119.6867 0.2566510
120.1688 2.3668000E-02
120.6509 0.1152920
121.1330 2.8682999E-02
121.6152 0.3790930
122.0973 0.6344010
122.5794 0.5024570
123.0615 1.7200000E-04
123.5436 0.2151780
124.0257 0.1420140
124.5079 0.6256750
124.9900 0.7636380
125.4721 0.4691050
125.9542 0.1503120
126.4363 0.2664130
126.9184 0.6603580
127.4006 0.9802570
127.8827 0.9891950
128.3648 0.8097500
128.8469 0.8451690
129.3290 1.297710
129.8111 1.732702
130.2932 1.884281
130.7754 1.796349
131.2575 1.632324
131.7396 1.506708
132.2217 1.421774
132.7038 1.365007
133.1859 1.299450
133.6681 1.292326
134.1502 1.393787
134.6323 1.599213
135.1144 1.854446
135.5965 2.082449
136.0786 2.227961
136.5608 2.469240
137.0429 2.936829
137.5250 3.405697
138.0071 3.689329
138.4892 3.736769
138.9713 3.646505
139.4535 3.620085
139.9356 3.764185
140.4177 3.829975
140.8998 3.658743
141.3819 3.428650
141.8640 3.415583
142.3462 3.736273
142.8283 4.285944
143.3104 4.678925
143.7925 4.956890
144.2746 5.052055
144.7567 4.739481
145.2388 4.141178
145.7210 3.798832
146.2031 4.114557
146.6852 4.773542
147.1673 5.113413
147.6494 4.954792
148.1315 4.701729
148.6137 4.765347
149.0958 5.194347
149.5779 5.598686
150.0600 5.764004
150.5421 5.816288
151.0242 5.850079
151.5064 5.875196
151.9885 5.926426
152.4706 6.166985
152.9527 6.620449
153.4348 7.001909
153.9169 7.084019
154.3991 7.091940
154.8812 7.333569
155.3633 8.024746
155.8454 9.062901
156.3275 9.818928
156.8096 10.21594
157.2918 10.35443
157.7739 10.01719
158.2560 9.446190
158.7381 9.027180
159.2202 9.049383
159.7023 9.522926
160.1845 10.09199
160.6666 10.98038
161.1487 11.74308
161.6308 12.15283
162.1129 12.26211
162.5950 12.28148
163.0772 12.38113
163.5593 12.57233
164.0414 12.87571
164.5235 13.29382
165.0056 13.80005
165.4877 14.41704
165.9698 15.14351
166.4520 15.86459
166.9341 16.41667
167.4162 16.80414
167.8983 17.35390
168.3804 18.19774
168.8625 19.20307
169.3447 20.20293
169.8268 21.16056
170.3089 22.14469
170.7910 23.37074
171.2731 24.74557
171.7552 25.81978
172.2374 26.55283
172.7195 26.84162
173.2016 26.35639
173.6837 24.79597
174.1658 22.78267
174.6479 20.66365
175.1301 18.48841
175.6122 16.42531
176.0943 14.57735
176.5764 12.94504
177.0585 11.55505
177.5406 10.55350
178.0228 9.685598
178.5049 8.843136
178.9870 8.036283
179.4691 7.300497
179.9512 6.696888
180.4333 6.270264
180.9155 5.735643
181.3976 4.949741
181.8797 4.194429
182.3618 3.556171
182.8439 3.046906
183.3260 2.647804
183.8082 2.358454
184.2903 2.266039
184.7724 2.070620
185.2545 1.624744
185.7366 1.204546
186.2187 1.034258
186.7009 1.135157
187.1830 1.318153
187.6651 1.302168
188.1472 0.9226910
188.6293 0.6770950
189.1114 0.6681120
189.5936 0.7307510
190.0757 0.6909850
190.5578 0.5062940
191.0399 0.3168450
191.5220 0.3635640
192.0041 0.7459470
192.4863 1.092737
192.9684 1.327452
193.4505 1.517366
193.9326 1.761211
194.4147 2.097586
194.8968 2.464308
195.3790 2.714827
195.8611 2.808968
196.3432 2.982330
196.8253 3.408630
197.3074 3.986021
197.7895 4.464392
198.2717 4.747435
198.7538 4.960209
199.2359 5.268444
199.7180 5.668867
200.2001 6.055016
200.6822 6.340302
201.1644 6.562254
201.6465 6.906868
202.1286 7.466036
202.6107 8.130821
203.0928 8.800961
203.5749 9.470905
204.0571 10.11108
204.5392 10.67755
205.0213 11.16339
205.5034 11.67590
205.9855 12.25029
206.4676 12.84541
206.9497 13.48785
207.4319 14.15892
207.9140 14.73142
208.3961 15.05985
208.8782 15.11894
209.3603 15.10114
209.8424 14.99479
210.3246 14.82734
210.8067 14.62664
211.2888 14.38628
211.7709 14.06054
212.2530 13.59453
212.7351 12.98173
213.2173 12.24621
213.6994 11.27641
214.1815 10.28441
214.6636 9.362759
215.1457 8.536297
215.6278 7.781063
216.1100 7.061584
216.5921 6.338295
217.0742 5.766953
217.5563 5.423431
218.0384 5.140350
218.5205 4.861446
219.0027 4.554214
219.4848 4.151409
219.9669 3.543013
220.4490 2.560265
220.9311 1.805651
221.4132 1.284758
221.8954 0.9535810
222.3775 0.8709470
222.8596 1.012680
223.3417 1.168158
223.8238 1.051121
224.3059 0.4914670
224.7881 0.1228790
225.2702 0.1165450
225.7523 0.1950780
226.2344 8.2603000E-02
226.7165 0.2649780
227.1986 0.6246090
227.6807 0.6887340
228.1629 0.3608780
228.6450 0.2384700
229.1271 0.5940320
229.6092 1.052998
230.0913 1.208618
230.5734 0.9836850
231.0556 0.6178340
231.5377 0.3583390
232.0198 0.2037910
232.5019 5.3854000E-02
232.9840 0.1418650
233.4661 0.3253880
233.9483 0.4112930
234.4304 0.3781130
234.9125 0.3114590
235.3946 0.2820950
235.8767 0.2853570
236.3588 0.3154370
236.8410 0.3100830
237.3231 0.3510840
237.8052 0.6501370
238.2873 1.331158
238.7694 1.889372
239.2515 1.779375
239.7337 1.232347
240.2158 0.7148670
240.6979 0.3375990
241.1800 0.1002160
241.6621 4.0096000E-02
242.1442 0.2201730
242.6264 0.4080070
243.1085 0.4510880
243.5906 0.4020080
244.0727 0.3341960
244.5548 0.2300010
245.0369 0.1494310
245.5191 0.2564350
246.0012 0.6448880
246.4833 0.9835260
246.9654 1.157503
247.4475 1.189869
247.9296 1.064610
248.4117 0.6943720
248.8939 0.2340150
249.3760 8.4248997E-02
249.8581 0.4435520
250.3402 0.7182410
250.8223 0.6869390
251.3044 0.4702240
251.7866 0.1554510
252.2687 0.2574250
252.7508 0.6591630
253.2329 0.7675320
253.7150 0.3905980
254.1971 0.1082290
254.6793 0.1060310
255.1614 0.2307150
255.6435 0.3589530
256.1256 0.4461150
256.6077 0.4732720
257.0898 0.3693560
257.5720 1.8193999E-02
258.0541 0.2262230
258.5362 0.1200490
259.0183 0.1236210
259.5004 0.3921340
259.9825 0.6410790
260.4647 0.8347530
260.9468 0.9108330
261.4289 0.8769450
261.9110 0.6884080
262.3931 0.1656700
262.8752 0.3755660
263.3574 0.6837140
263.8395 0.6971240
264.3216 0.5349960
264.8037 0.3758070
265.2858 0.2050420
265.7679 6.9927000E-02
266.2501 9.5375001E-02
266.7322 0.1876450
267.2143 7.5018004E-02
267.6964 0.2341520
268.1785 0.5667710
268.6606 0.6755500
269.1428 0.4229740
269.6249 0.3023450
270.1070 0.3818820
270.5891 0.5118140
271.0712 0.6360450
271.5533 0.7301520
272.0355 0.7615070
272.5176 0.6788980
272.9997 0.4296970
273.4818 0.2996030
273.9639 0.2361110
274.4460 0.3072280
274.9282 0.6828560
275.4103 1.271919
275.8924 1.739363
276.3745 1.742258
276.8566 1.195595
277.3387 1.011892
277.8208 1.531878
278.3029 1.999105
278.7851 2.037386
279.2672 1.727741
279.7493 1.373127
280.2314 1.190609
280.7135 1.175619
281.1956 1.197182
281.6778 1.190926
282.1599 1.275084
282.6420 1.606739
283.1241 2.067057
283.6062 2.349977
284.0883 2.235739
284.5705 1.805056
285.0526 1.622551
285.5347 1.943830
286.0168 2.234228
286.4989 2.280474
286.9810 2.176912
287.4632 2.156464
287.9453 2.367184
288.4274 2.706753
288.9095 2.815283
289.3916 2.482548
289.8737 2.225294
290.3559 2.076885
290.8380 2.064104
291.3201 2.258413
291.8022 2.689705
292.2843 3.224550
292.7664 3.628021
293.2486 3.830849
293.7307 4.066401
294.2128 4.472507
294.6949 4.868683
295.1770 5.019361
295.6591 4.872015
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300.4803 6.825441
300.9624 6.461535
301.4445 6.401316
301.9267 6.874657
302.4088 7.456871
302.8909 7.887035
303.3730 8.164078
303.8551 8.411785
304.3372 8.710951
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305.3015 9.418400
305.7836 9.814285
306.2657 10.19717
306.7478 10.42844
307.2299 10.60694
307.7121 11.05989
308.1942 12.01212
308.6763 13.29749
309.1584 14.31099
309.6405 14.78885
310.1227 15.43526
310.6048 16.55124
311.0869 17.98714
311.5690 19.50569
312.0511 21.03330
312.5332 22.45984
313.0154 23.51148
313.4975 24.07390
313.9796 24.69684
314.4617 25.63112
314.9438 26.63900
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318.3186 28.63559
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320.2471 30.28407
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324.5861 43.49152
325.0682 45.91154
325.5504 48.47458
326.0325 51.29271
326.5146 54.11030
326.9967 56.72838
327.4788 59.28807
327.9609 62.15212
328.4431 65.51781
328.9252 69.15998
329.4073 72.56303
329.8894 75.63161
330.3715 78.71024
330.8536 82.03922
331.3358 85.33492
331.8179 88.21881
332.3000 90.58977
332.7821 92.62961
333.2642 94.53189
333.7463 96.19944
334.2285 98.11594
334.7106 100.5240
335.1927 103.0200
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336.1569 107.3419
336.6390 109.2286
337.1212 110.9577
337.6033 112.5305
338.0854 114.7118
338.5675 117.5749
339.0496 120.9100
339.5317 124.6637
340.0139 128.8198
340.4960 133.2764
340.9781 137.9326
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341.9423 148.6270
342.4244 155.1794
342.9066 162.3535
343.3887 170.3259
343.8708 178.8535
344.3529 187.6617
344.8350 196.6213
345.3171 205.5687
345.7993 214.1975
346.2814 222.9361
346.7635 230.4472
347.2456 236.8972
347.7277 241.9528
348.2098 245.5284
348.6920 247.5038
349.1741 247.4739
349.6562 244.9007
350.1383 239.4571
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351.1025 224.2121
351.5847 214.6833
352.0668 203.4694
352.5489 191.1203
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353.5131 167.3173
353.9952 156.7203
354.4774 147.3222
354.9595 140.2903
355.4416 133.1168
355.9237 124.7513
356.4058 116.1515
356.8879 108.5495
357.3701 102.5114
357.8522 97.73154
358.3343 93.46844
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359.2985 86.65369
359.7806 83.96882
360.2627 81.65266
360.7448 79.54146
361.2270 77.63256
361.7091 76.17506
362.1912 75.52195
362.6733 75.87907
363.1554 76.18882
363.6375 76.31628
364.1197 76.52768
364.6018 76.81365
365.0839 77.24738
365.5660 78.01232
366.0481 79.30003
366.5302 81.03321
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367.4945 83.51905
367.9766 84.65672
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368.9408 88.13960
369.4229 89.64702
369.9051 90.66547
370.3872 91.26260
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371.3514 91.52476
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372.3156 90.98753
372.7978 90.25930
373.2799 88.61481
373.7620 86.03384
374.2441 82.79609
374.7262 79.06817
375.2083 74.84237
375.6905 70.54146
376.1726 66.03584
376.6547 61.60767
377.1368 57.28684
377.6189 53.11712
378.1010 49.24070
378.5832 45.74860
379.0653 42.56952
379.5474 39.47856
380.0295 36.40264
380.5116 33.59040
380.9937 31.26537
381.4759 29.16773
381.9580 27.07556
382.4401 24.93606
382.9222 22.81945
383.4043 20.76705
383.8864 18.77124
384.3686 16.99785
384.8507 15.50228
385.3328 14.26319
385.8149 13.26628
386.2970 12.49907
386.7791 11.78176
387.2613 11.03291
387.7434 10.26786
388.2255 9.505489
388.7076 8.742052
389.1897 8.020092
389.6718 7.351768
390.1540 6.756004
390.6361 6.273888
391.1182 6.034914
391.6003 5.776365
392.0824 5.166445
392.5645 4.255022
393.0467 3.509533
393.5288 3.157925
394.0109 3.049084
394.4930 2.890259
394.9751 2.657921
395.4572 2.471886
395.9394 2.446606
396.4215 2.481733
396.9036 2.396271
397.3857 2.141829
397.8678 1.832674
398.3499 1.591511
398.8321 1.416132
399.3142 1.248604
399.7963 1.032099
400.2784 0.8663330
400.7605 0.8612560
401.2426 0.9812980
401.7247 1.058920
402.2068 0.9823930
402.6890 0.7967610
403.1711 0.6908070
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404.1353 0.7836250
404.6174 0.6895690
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405.5817 0.3296640
406.0638 0.1097390
406.5459 7.2691001E-02
407.0280 0.1198370
407.5101 5.0820999E-02
407.9922 9.3657002E-02
408.4744 0.1417560
408.9565 0.3541930
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