#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:19 +0300 (Thu, 24 May 2018) $
#$Revision: 734 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000238.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_1000238
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 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            R060450.rod
_rod_data_source.block           3500000
_rod_database.code               1000238
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
96.93054 0.0000000E+00
97.41266 2.4769999E-02
97.89478 2.5077000E-02
98.37689 8.7071002E-02
98.85901 0.2084660
99.34113 0.3502600
99.82324 0.5360180
100.3054 0.7393980
100.7875 0.9677400
101.2696 1.227710
101.7517 1.478985
102.2338 1.642119
102.7159 1.244974
103.1981 0.8514490
103.6802 0.6844510
104.1623 0.5626320
104.6444 0.5891380
105.1265 0.7757300
105.6086 0.9612490
106.0908 1.148975
106.5729 0.7699930
107.0550 0.3323550
107.5371 0.1292950
108.0192 0.3954430
108.5013 0.5426250
108.9835 0.4556470
109.4656 0.1447300
109.9477 2.0909000E-02
110.4298 0.1417150
110.9119 0.3488230
111.3940 0.4128890
111.8762 0.1325430
112.3583 9.4648004E-02
112.8404 0.1714120
113.3225 7.6196998E-02
113.8046 3.6221001E-02
114.2867 0.1882470
114.7689 0.3762090
115.2510 0.4306860
115.7331 0.2555960
116.2152 1.0131000E-02
116.6973 0.3520280
117.1794 0.8054290
117.6616 1.168981
118.1437 1.344095
118.6258 1.386538
119.1079 1.378542
119.5900 1.250767
120.0721 1.150264
120.5543 1.192483
121.0364 1.444098
121.5185 1.717560
122.0006 1.840132
122.4827 1.880823
122.9648 2.040749
123.4470 2.602829
123.9291 3.282916
124.4112 3.735949
124.8933 3.781907
125.3754 3.731334
125.8575 3.892680
126.3397 4.242689
126.8218 4.641734
127.3039 4.864640
127.7860 5.061967
128.2681 5.568465
128.7502 6.671915
129.2324 7.997773
129.7145 8.913856
130.1966 9.425931
130.6787 9.690022
131.1608 9.689961
131.6429 9.501590
132.1251 9.512752
132.6072 9.970865
133.0893 10.72085
133.5714 11.24354
134.0535 11.51776
134.5356 11.66067
135.0178 11.75810
135.4999 11.80648
135.9820 11.95478
136.4641 12.27490
136.9462 12.76621
137.4283 13.30222
137.9105 13.87889
138.3926 14.51776
138.8747 15.29741
139.3568 16.28899
139.8389 17.16254
140.3210 17.72554
140.8032 17.90231
141.2853 18.17119
141.7674 18.48643
142.2495 18.92567
142.7316 19.70993
143.2137 20.97034
143.6959 21.95660
144.1780 22.44885
144.6601 22.22725
145.1422 22.12163
145.6243 22.14731
146.1064 22.29973
146.5886 22.59600
147.0707 23.17292
147.5528 23.73695
148.0349 24.10592
148.5170 24.04817
148.9991 24.17258
149.4813 24.67279
149.9634 25.48044
150.4455 25.90223
150.9276 25.53384
151.4097 25.06253
151.8918 24.91235
152.3740 25.27172
152.8561 25.71763
153.3382 26.24301
153.8203 26.84161
154.3024 27.41929
154.7845 28.03665
155.2667 28.58558
155.7488 28.99140
156.2309 29.12347
156.7130 29.22257
157.1951 29.32100
157.6772 29.41761
158.1594 29.55902
158.6415 29.66453
159.1236 29.85180
159.6057 30.23766
160.0878 31.15246
160.5699 31.99047
161.0521 32.49794
161.5342 32.61676
162.0163 32.75264
162.4984 33.06995
162.9805 33.47968
163.4626 33.86893
163.9448 34.25909
164.4269 34.56958
164.9090 34.72388
165.3911 34.68464
165.8732 34.68649
166.3553 34.91443
166.8375 35.23887
167.3196 35.44611
167.8017 35.39205
168.2838 35.23224
168.7659 35.02211
169.2480 34.72525
169.7302 34.53070
170.2123 34.73424
170.6944 35.14815
171.1765 35.34576
171.6586 35.14511
172.1407 34.58740
172.6229 33.69467
173.1050 32.44242
173.5871 30.98371
174.0692 29.38249
174.5513 27.65530
175.0334 25.90523
175.5156 24.11725
175.9977 22.35085
176.4798 20.72180
176.9619 19.20546
177.4440 17.86122
177.9261 16.88060
178.4083 16.18659
178.8904 15.46066
179.3725 14.33523
179.8546 13.05043
180.3367 12.11394
180.8188 11.70627
181.3010 11.52847
181.7831 11.21497
182.2652 10.77966
182.7473 10.31303
183.2294 9.788839
183.7115 9.275478
184.1937 9.008148
184.6758 9.122766
185.1579 9.390045
185.6400 9.418440
186.1221 9.219948
186.6042 8.959024
187.0864 8.673389
187.5685 8.401377
188.0506 8.381948
188.5327 8.773762
189.0148 9.349304
189.4969 9.552628
189.9791 9.364563
190.4612 9.208309
190.9433 9.509563
191.4254 10.20266
191.9075 10.81584
192.3896 11.17539
192.8718 11.40829
193.3539 11.98102
193.8360 12.95795
194.3181 13.93509
194.8002 14.44808
195.2823 14.52029
195.7645 14.80995
196.2466 15.52226
196.7287 16.55266
197.2108 17.49159
197.6929 18.32908
198.1750 19.11934
198.6572 19.91936
199.1393 20.72095
199.6214 21.41010
200.1035 21.89153
200.5856 22.25038
201.0677 22.99036
201.5499 24.17393
202.0320 25.51390
202.5141 26.73057
202.9962 27.80548
203.4783 28.95651
203.9604 30.27114
204.4426 31.70628
204.9247 32.96695
205.4068 34.03607
205.8889 34.95734
206.3710 35.69385
206.8531 36.17770
207.3353 36.90959
207.8174 38.15987
208.2995 39.83778
208.7816 40.82032
209.2637 40.97945
209.7458 40.69605
210.2280 40.31948
210.7101 39.84926
211.1922 39.33270
211.6743 38.82631
212.1564 38.30787
212.6385 37.35980
213.1207 35.90257
213.6028 34.19289
214.0849 32.47530
214.5670 30.78581
215.0491 28.99292
215.5313 26.99515
216.0134 24.78817
216.4955 22.89670
216.9776 21.40656
217.4597 20.09103
217.9418 18.67612
218.4240 17.07705
218.9061 15.64070
219.3882 14.49025
219.8703 13.63739
220.3524 12.63758
220.8345 11.37490
221.3167 10.12121
221.7988 9.190826
222.2809 8.818573
222.7630 8.222383
223.2451 7.119127
223.7272 5.486996
224.2094 4.370331
224.6915 3.946630
225.1736 3.822777
225.6557 3.621136
226.1378 3.294455
226.6199 2.984123
227.1021 2.707474
227.5842 2.462553
228.0663 2.289480
228.5484 2.217472
229.0305 2.183964
229.5126 2.135532
229.9948 2.081451
230.4769 1.988676
230.9590 1.813465
231.4411 1.556709
231.9232 1.463032
232.4053 1.654451
232.8875 1.878040
233.3696 1.894756
233.8517 1.568859
234.3338 1.303213
234.8159 1.170643
235.2980 1.168322
235.7802 1.193520
236.2623 1.333933
236.7444 1.407587
237.2265 1.216820
237.7086 0.4814910
238.1907 4.1721001E-02
238.6729 0.1432860
239.1550 0.7411480
239.6371 1.038548
240.1192 0.8800870
240.6013 0.5962470
241.0834 0.4591600
241.5656 0.6016100
242.0477 0.6198710
242.5298 0.3921700
243.0119 4.3026000E-02
243.4940 0.2842690
243.9761 0.2884250
244.4583 0.1505150
244.9404 9.5187999E-02
245.4225 0.6004830
245.9046 0.9049450
246.3867 0.9319970
246.8688 0.7098050
247.3510 0.4088520
247.8331 7.6899998E-02
248.3152 0.5054630
248.7973 0.7149350
249.2794 0.6289620
249.7615 0.4745250
250.2437 0.2176400
250.7258 9.9932000E-02
251.2079 0.2667260
251.6900 0.2276170
252.1721 0.1168040
252.6542 4.7950000E-03
253.1364 0.1143630
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254.5827 0.3812370
255.0648 0.4530450
255.5469 0.5662310
256.0291 0.6086120
256.5112 0.4850730
256.9933 4.8050001E-02
257.4754 0.1693250
257.9575 6.8882003E-02
258.4396 0.2363760
258.9218 0.4182990
259.4039 0.4199160
259.8860 0.4049510
260.3681 0.4659000
260.8502 0.6680700
261.3323 0.7460610
261.8145 0.6537380
262.2966 0.4625700
262.7787 0.3136040
263.2608 0.1910400
263.7429 0.1466790
264.2250 0.2402000
264.7072 0.5458660
265.1893 0.6747590
265.6714 0.5621870
266.1535 0.3279950
266.6356 0.1752850
267.1177 0.1029130
267.5999 0.1152480
268.0820 0.2601910
268.5641 0.5811630
269.0462 0.6932280
269.5283 0.5202520
270.0104 0.2325100
270.4926 0.1041150
270.9747 0.2014520
271.4568 0.2084450
271.9389 5.1819000E-02
272.4210 0.5981600
272.9031 0.7786540
273.3853 0.4653360
273.8674 1.7181000E-02
274.3495 6.9863997E-02
274.8316 0.2835920
275.3137 0.5739940
275.7958 0.6411950
276.2780 0.5042420
276.7601 0.4456080
277.2422 0.4890440
277.7243 0.5484580
278.2064 0.5025290
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279.1707 0.2543980
279.6528 0.3568670
280.1349 0.6037460
280.6170 0.8587780
281.0991 1.141068
281.5812 1.356987
282.0634 1.364029
282.5455 1.155098
283.0276 1.069454
283.5097 1.207920
283.9918 1.491028
284.4739 1.693647
284.9561 1.819460
285.4382 1.839077
285.9203 1.651276
286.4024 1.276997
286.8845 1.054790
287.3666 1.054955
287.8488 1.204651
288.3309 1.382862
288.8130 1.590710
289.2951 1.766645
289.7772 1.846508
290.2593 1.848454
290.7415 1.865412
291.2236 1.882265
291.7057 1.973013
292.1878 2.351494
292.6699 2.988182
293.1520 3.519785
293.6342 3.656742
294.1163 3.516794
294.5984 3.447094
295.0805 3.445936
295.5626 3.602730
296.0447 4.191244
296.5269 5.109549
297.0090 5.838959
297.4911 5.932024
297.9732 5.690340
298.4553 5.800022
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299.4196 6.886646
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310.5082 23.13992
310.9904 24.41076
311.4725 25.86754
311.9546 27.53693
312.4367 29.53617
312.9188 32.01964
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313.8831 36.24458
314.3652 37.70759
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315.3294 40.14391
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316.2936 41.45189
316.7758 41.44066
317.2579 40.83294
317.7400 38.97791
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332.2035 75.07140
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333.1677 81.61490
333.6498 84.83360
334.1320 88.14429
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335.5783 97.57026
336.0604 100.3011
336.5425 102.9897
337.0247 105.4603
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341.8458 150.9792
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342.8101 166.4118
343.2922 173.8720
343.7743 181.7917
344.2564 190.6573
344.7385 200.4855
345.2206 210.1195
345.7028 219.6578
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347.6312 252.6825
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348.5955 264.8438
349.0776 267.8171
349.5597 268.2028
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352.9345 215.2774
353.4166 201.5908
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354.3809 175.5000
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355.3451 152.8429
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366.4338 67.67411
366.9159 68.78244
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368.3622 72.26105
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370.2907 72.53828
370.7728 73.49367
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382.8257 20.02286
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384.2721 16.58386
384.7542 15.41132
385.2363 14.24228
385.7184 13.03893
386.2006 11.86956
386.6827 10.84032
387.1648 10.03110
387.6469 9.331163
388.1290 8.582460
388.6111 7.810781
389.0933 7.116373
389.5754 6.534052
390.0575 6.071959
390.5396 5.767670
391.0217 5.704185
391.5038 5.610083
391.9860 5.183920
392.4681 4.570553
392.9502 4.057543
393.4323 3.884138
393.9144 3.759636
394.3965 3.482136
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395.3608 2.678484
395.8429 2.603329
396.3250 2.618519
396.8071 2.550661
397.2892 2.252913
397.7714 1.985149
398.2535 1.793926
398.7356 1.676571
399.2177 1.624111
399.6998 1.817966
400.1819 1.927248
400.6641 1.772028
401.1462 1.057631
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402.1104 0.8884540
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403.0746 1.608328
403.5568 1.675907
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405.4852 0.4360120
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406.9316 0.9738710
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408.8600 0.5839330
409.3422 0.3702090
409.8243 0.1266960
410.3064 5.3171001E-02
410.7885 8.3480999E-02
411.2706 2.3840000E-03
411.7527 4.1882999E-02
412.2349 2.4000000E-02
412.7170 1.3002000E-02
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