#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:03 +0300 (Thu, 24 May 2018) $
#$Revision: 883 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000362.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_1000362
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        R040079
_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            R040079.rod
_rod_data_source.block           3500000
_rod_database.code               1000362
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
128.6837 0.0000000E+00
129.1658 0.2639160
129.6479 8.431396
130.1300 22.26831
130.6121 49.07129
131.0942 74.73462
131.5764 85.52393
132.0585 75.44067
132.5406 50.19653
133.0227 30.98242
133.5048 12.03394
133.9869 2.753906
134.4691 13.61719
134.9512 34.27246
135.4333 46.71167
135.9154 38.08350
136.3975 10.17529
136.8796 3.921387
137.3618 1.736328
137.8439 8.487793
138.3260 27.12329
138.8081 52.52661
139.2902 76.37524
139.7723 92.25342
140.2545 99.46631
140.7366 101.9941
141.2187 98.09229
141.7008 90.48901
142.1829 79.36768
142.6650 62.59766
143.1472 51.51709
143.6293 66.44019
144.1114 100.8613
144.5935 122.1255
145.0756 105.0059
145.5577 62.09229
146.0399 35.36475
146.5220 35.37964
147.0041 50.63599
147.4862 74.69336
147.9683 106.5334
148.4504 134.2217
148.9326 146.5413
149.4147 142.4128
149.8968 135.2695
150.3789 115.6274
150.8610 101.2507
151.3431 105.1870
151.8252 129.9487
152.3074 163.8657
152.7895 189.8967
153.2716 207.5901
153.7537 217.2905
154.2358 215.4402
154.7179 211.5996
155.2001 209.5305
155.6822 204.9438
156.1643 205.4973
156.6464 224.5461
157.1285 288.6326
157.6106 339.8799
158.0928 357.4841
158.5749 359.6147
159.0570 357.2761
159.5391 356.5129
160.0212 357.5513
160.5033 363.4160
160.9855 371.7998
161.4676 386.3618
161.9497 415.0967
162.4318 452.5300
162.9139 484.0007
163.3960 497.8584
163.8782 492.9658
164.3603 487.8032
164.8424 473.0483
165.3245 464.8257
165.8066 475.4036
166.2887 505.2410
166.7709 544.5471
167.2530 589.6904
167.7351 640.0012
168.2172 673.8989
168.6993 690.9822
169.1814 689.6165
169.6636 660.9263
170.1457 597.7383
170.6278 530.4932
171.1099 492.6111
171.5920 478.7012
172.0741 469.0671
172.5563 465.1875
173.0384 460.7046
173.5205 434.7505
174.0026 372.8213
174.4847 303.1616
174.9668 248.1953
175.4490 207.3240
175.9311 176.1892
176.4132 153.9341
176.8953 140.2295
177.3774 128.4736
177.8595 122.9211
178.3417 114.3984
178.8238 94.74829
179.3059 63.59888
179.7880 31.08862
180.2701 7.876953
180.7522 5.348145
181.2344 12.15332
181.7165 6.765137
182.1986 0.6193850
182.6807 3.916260
183.1628 1.454346
183.6449 4.377930
184.1271 9.919434
184.6092 15.71973
185.0913 19.89478
185.5734 32.69897
186.0555 39.21509
186.5376 19.69458
187.0198 25.15649
187.5019 40.02295
187.9840 50.75806
188.4661 57.63281
188.9482 48.96094
189.4303 60.37183
189.9125 63.67529
190.3946 66.64941
190.8767 80.92358
191.3588 74.37671
191.8409 88.47803
192.3230 94.34009
192.8052 103.9761
193.2873 105.4438
193.7694 109.6646
194.2515 114.9673
194.7336 120.8743
195.2157 127.7893
195.6979 139.5945
196.1800 167.9531
196.6621 188.5371
197.1442 184.6865
197.6263 163.8252
198.1084 148.3286
198.5906 154.2043
199.0727 180.2490
199.5548 202.3765
200.0369 216.4832
200.5190 230.4258
201.0011 250.6941
201.4833 276.5737
201.9654 299.5149
202.4475 310.3586
202.9296 311.4287
203.4117 324.0005
203.8938 361.5166
204.3760 402.8938
204.8581 427.1619
205.3402 432.5066
205.8223 435.9028
206.3044 453.6021
206.7865 481.1313
207.2687 502.0408
207.7508 508.6826
208.2329 508.4785
208.7150 513.1606
209.1971 524.4888
209.6792 537.0508
210.1614 547.8174
210.6435 556.7009
211.1256 562.6660
211.6077 558.5234
212.0898 551.9565
212.5719 565.4883
213.0541 613.5698
213.5362 652.5945
214.0183 649.9363
214.5004 618.9292
214.9825 588.1470
215.4646 573.8596
215.9468 573.4797
216.4289 573.4832
216.9110 577.0444
217.3931 573.8997
217.8752 556.0786
218.3573 526.5139
218.8395 496.3503
219.3216 473.6064
219.8037 457.7820
220.2858 441.9360
220.7679 426.6184
221.2500 410.5547
221.7322 392.3447
222.2143 372.7500
222.6964 354.1729
223.1785 335.8535
223.6606 316.4893
224.1427 308.9453
224.6249 333.7153
225.1070 353.2795
225.5891 350.5051
226.0712 328.3503
226.5533 300.7395
227.0354 280.0889
227.5176 267.8601
227.9997 258.4883
228.4818 252.9314
228.9639 246.6357
229.4460 237.7095
229.9281 227.6299
230.4103 219.0662
230.8924 215.0044
231.3745 216.2612
231.8566 218.3857
232.3387 223.9133
232.8208 228.1521
233.3030 229.2664
233.7851 226.9902
234.2672 221.5911
234.7493 212.2800
235.2314 195.8672
235.7135 187.6992
236.1957 196.2822
236.6778 204.7852
237.1599 202.3064
237.6420 189.2883
238.1241 174.8926
238.6062 170.4368
239.0884 182.6023
239.5705 184.1069
240.0526 167.2488
240.5347 147.8481
241.0168 134.1777
241.4989 127.2847
241.9811 124.4585
242.4632 122.6636
242.9453 122.1987
243.4274 122.0171
243.9095 133.9438
244.3916 139.8147
244.8738 118.3020
245.3559 69.37378
245.8380 21.66284
246.3201 10.35522
246.8022 52.76172
247.2843 77.84497
247.7665 72.45850
248.2486 60.89136
248.7307 62.56299
249.2128 78.94165
249.6949 95.64062
250.1770 95.45947
250.6592 71.02319
251.1413 54.29224
251.6234 52.47925
252.1055 53.04028
252.5876 43.86670
253.0697 24.45605
253.5519 6.719238
254.0340 5.270508
254.5161 26.62744
254.9982 38.38989
255.4803 26.62915
255.9624 14.57690
256.4445 26.07617
256.9267 62.52246
257.4088 98.79590
257.8909 107.1094
258.3730 78.96753
258.8551 62.74585
259.3372 71.15210
259.8194 83.33496
260.3015 81.15381
260.7836 62.92432
261.2657 40.34546
261.7478 23.08569
262.2299 11.81250
262.7121 9.411865
263.1942 28.91187
263.6763 48.87817
264.1584 46.24731
264.6405 20.11108
265.1227 3.269775
265.6048 4.110107
266.0869 44.97754
266.5690 65.29907
267.0511 43.05176
267.5332 13.95288
268.0154 13.61377
268.4975 43.01050
268.9796 66.46143
269.4617 47.88843
269.9438 11.83423
270.4259 42.21533
270.9081 14.86987
271.3902 23.67334
271.8723 36.65698
272.3544 22.88403
272.8365 1.797119
273.3186 14.91626
273.8008 26.35278
274.2829 31.69360
274.7650 30.88159
275.2471 23.99658
275.7292 5.829590
276.2113 22.13525
276.6935 43.80786
277.1756 46.43335
277.6577 31.94458
278.1398 21.30859
278.6219 17.85449
279.1040 15.53931
279.5862 8.323730
280.0683 2.843262
280.5504 9.418701
281.0325 3.792480
281.5146 10.38403
281.9967 16.96021
282.4789 9.853516
282.9610 0.8779300
283.4431 1.403076
283.9252 1.614746
284.4073 1.169922
284.8894 10.33545
285.3716 26.90723
285.8537 30.64917
286.3358 13.23804
286.8179 5.918457
287.3000 15.01465
287.7821 16.37939
288.2643 19.26050
288.7464 28.15649
289.2285 41.15601
289.7106 54.23169
290.1927 72.82935
290.6748 82.38965
291.1570 65.38306
291.6391 31.95776
292.1212 15.83545
292.6033 35.57324
293.0854 72.26196
293.5675 86.86475
294.0497 74.76709
294.5318 58.63940
295.0139 44.42310
295.4960 32.83203
295.9781 25.03223
296.4602 20.82080
296.9424 21.86011
297.4245 34.45703
297.9066 62.21436
298.3887 82.60767
298.8708 86.03394
299.3529 77.96973
299.8351 65.75781
300.3172 49.67700
300.7993 35.53418
301.2814 32.65137
301.7635 41.06519
302.2456 52.55322
302.7278 65.79346
303.2099 80.86963
303.6920 98.86108
304.1741 120.2861
304.6562 141.4207
305.1383 157.9043
305.6205 169.6489
306.1026 177.9912
306.5847 174.8381
307.0668 172.7834
307.5489 187.8848
308.0310 222.1548
308.5132 259.7107
308.9953 288.0232
309.4774 306.1274
309.9595 314.5156
310.4416 294.9338
310.9237 278.4722
311.4059 295.1741
311.8880 343.9604
312.3701 395.7976
312.8522 429.5610
313.3343 444.9468
313.8164 459.2063
314.2986 479.1704
314.7807 492.2241
315.2628 484.7568
315.7449 461.6748
316.2270 443.6323
316.7091 444.0869
317.1913 460.1216
317.6734 473.2656
318.1555 485.4841
318.6376 493.3989
319.1197 490.3767
319.6018 481.8711
320.0840 481.0769
320.5661 495.2058
321.0482 520.1082
321.5303 541.6758
322.0124 560.2874
322.4945 575.8625
322.9767 584.6328
323.4588 591.5459
323.9409 602.0742
324.4230 618.2070
324.9051 638.7051
325.3872 661.5588
325.8694 688.3867
326.3515 714.7361
326.8336 741.5217
327.3157 766.8372
327.7978 784.0393
328.2799 791.5623
328.7621 804.2263
329.2442 838.6948
329.7263 906.8467
330.2084 962.9888
330.6905 1004.711
331.1726 1035.650
331.6548 1053.532
332.1369 1061.487
332.6190 1073.060
333.1011 1102.693
333.5832 1154.428
334.0653 1206.791
334.5475 1258.193
335.0296 1310.452
335.5117 1364.171
335.9938 1419.372
336.4759 1474.634
336.9580 1526.799
337.4402 1575.595
337.9223 1654.925
338.4044 1815.620
338.8865 1951.455
339.3686 2024.943
339.8507 2055.545
340.3329 2074.766
340.8150 2098.992
341.2971 2131.529
341.7792 2187.299
342.2613 2278.300
342.7434 2379.284
343.2256 2503.090
343.7077 2629.188
344.1898 2734.492
344.6719 2807.535
345.1540 2860.549
345.6361 2926.902
346.1183 3030.917
346.6004 3103.035
347.0825 3141.278
347.5646 3149.633
348.0467 3126.491
348.5288 3074.008
349.0110 3002.608
349.4931 2925.722
349.9752 2845.322
350.4573 2747.099
350.9394 2618.484
351.4215 2481.949
351.9037 2339.695
352.3858 2194.524
352.8679 2057.658
353.3500 1940.326
353.8321 1842.149
354.3142 1742.614
354.7964 1635.607
355.2785 1535.928
355.7606 1448.839
356.2427 1372.527
356.7248 1302.551
357.2069 1236.484
357.6891 1175.379
358.1712 1122.949
358.6533 1079.976
359.1354 1043.773
359.6175 1011.960
360.0996 986.2341
360.5818 970.2874
361.0639 967.0579
361.5460 969.5186
362.0281 968.5286
362.5102 963.6462
362.9923 959.1450
363.4745 955.9458
363.9566 954.1267
364.4387 952.0000
364.9208 948.4644
365.4029 951.7646
365.8850 975.4038
366.3672 1014.152
366.8493 1038.936
367.3314 1039.634
367.8135 1029.892
368.2956 1022.762
368.7777 1018.085
369.2599 1014.462
369.7420 1013.284
370.2241 1012.312
370.7062 1007.897
371.1883 999.5889
371.6704 987.9458
372.1526 971.1228
372.6347 950.3901
373.1168 933.3245
373.5989 932.9043
374.0810 927.5220
374.5631 889.8772
375.0453 824.3828
375.5274 772.7795
376.0095 767.7942
376.4916 792.7788
376.9737 775.8728
377.4558 677.1670
377.9380 587.2732
378.4201 547.7534
378.9022 538.9929
379.3843 523.2510
379.8664 485.1230
380.3485 435.6064
380.8307 398.3110
381.3128 381.7908
381.7949 361.4797
382.2770 330.9248
382.7591 298.5603
383.2412 273.8228
383.7234 257.9187
384.2055 244.0371
384.6876 223.8198
385.1697 194.2476
385.6518 171.4114
386.1339 166.0151
386.6161 156.3376
387.0982 121.3433
387.5803 71.31445
388.0624 37.51270
388.5445 45.66040
389.0266 90.16748
389.5088 109.9465
389.9909 79.57935
390.4730 51.88794
390.9551 35.16431
391.4372 26.35791
391.9193 22.34448
392.4015 21.95654
392.8836 22.27441
393.3657 15.94556
393.8478 2.497070
394.3299 13.85083
394.8120 11.84375
395.2942 5.005859
395.7763 1.486328
396.2584 6.744873
396.7405 12.55615
397.2226 22.73560
397.7047 37.33130
398.1869 44.86890
398.6690 41.13306
399.1511 33.93481
399.6332 29.44751
400.1153 25.76489
400.5974 16.87402
401.0796 8.012207
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402.0438 45.43335
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403.0080 4.176025
403.4901 4.784180
403.9723 15.99927
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405.4186 17.70117
405.9007 20.95508
406.3828 29.15283
406.8650 33.04858
407.3471 27.84717
407.8292 18.83081
408.3113 16.64331
408.7934 24.42114
409.2755 23.69922
409.7577 8.0565996E-02
410.2398 32.21069
410.7219 51.44556
411.2040 53.95312
411.6861 51.24561
412.1682 53.81250
412.6504 62.27490
413.1325 74.08032
413.6146 97.15771
414.0967 116.3274
414.5788 121.7419
415.0609 115.7935
415.5431 106.1277
416.0252 96.77026
416.5073 88.46460
416.9894 84.56177
417.4715 82.82959
417.9536 88.66504
418.4358 112.6843
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419.4000 151.8547
419.8821 143.7529
420.3642 129.4019
420.8463 131.2107
421.3285 158.2776
421.8106 176.4436
422.2927 179.7642
422.7748 179.8870
423.2569 179.5737
423.7390 180.6130
424.2212 186.2878
424.7033 201.2444
425.1854 223.1072
425.6675 235.9067
426.1496 229.7756
426.6317 231.5332
427.1139 264.2043
427.5960 305.3230
428.0781 322.7261
428.5602 299.1038
429.0423 266.0486
429.5244 267.0554
430.0066 303.0312
430.4887 331.9104
430.9708 340.8276
431.4529 338.2087
431.9350 331.6548
432.4171 320.5825
432.8993 316.5527
433.3814 328.8760
433.8635 350.9663
434.3456 371.6309
434.8277 389.4551
435.3098 405.5693
435.7920 422.1831
436.2741 438.4502
436.7562 447.3362
437.2383 440.1406
437.7204 433.2776
438.2025 433.3477
438.6847 441.3411
439.1668 462.8455
439.6489 503.6567
440.1310 551.1436
440.6131 570.4180
441.0952 530.5105
441.5774 505.7661
442.0595 509.0630
442.5416 523.3752
443.0237 536.2703
443.5058 544.1375
443.9879 546.0491
444.4701 540.0762
444.9522 524.8657
445.4343 511.5969
445.9164 494.2473
446.3985 485.1267
446.8806 493.8889
447.3628 513.2593
447.8449 531.3733
448.3270 543.0303
448.8091 546.6113
449.2912 535.5291
449.7733 502.8408
450.2555 474.9333
450.7376 461.6616
451.2197 453.9294
451.7018 441.2249
452.1839 421.7695
452.6660 414.0420
453.1482 453.5781
453.6303 523.0051
454.1124 533.1072
454.5945 452.3083
455.0766 358.6492
455.5587 320.7788
456.0409 323.0090
456.5230 324.1440
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1268.407 0.0000000E+00
