#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:20:30 +0300 (Thu, 24 May 2018) $
#$Revision: 655 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000187.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_1000187
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 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            R040079.rod
_rod_data_source.block           3500000
_rod_database.code               1000187
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
156.7682 0.0000000E+00
157.2503 12.24707
157.7324 21.30566
158.2145 9.007324
158.6966 9.9609002E-02
159.1787 5.531250
159.6609 31.48730
160.1430 60.56543
160.6251 89.82373
161.1072 118.0015
161.5893 142.3389
162.0714 160.8516
162.5536 177.1914
163.0357 193.7500
163.5178 212.0132
163.9999 227.7231
164.4820 236.0142
164.9641 238.6274
165.4463 245.5547
165.9284 267.8149
166.4105 296.9224
166.8926 324.5742
167.3747 343.4204
167.8568 357.2847
168.3390 376.3496
168.8211 410.8013
169.3032 432.2554
169.7853 416.1646
170.2674 384.3345
170.7495 352.1309
171.2317 337.9824
171.7138 330.8018
172.1959 304.8511
172.6780 250.3384
173.1601 193.1104
173.6422 167.2671
174.1244 166.7642
174.6065 166.2285
175.0886 148.4507
175.5707 117.6294
176.0528 85.38574
176.5349 51.04883
177.0171 21.26855
177.4992 4.812012
177.9813 1.020020
178.4634 2.056641
178.9455 5.808594
179.4276 10.25830
179.9098 10.65625
180.3919 0.4130860
180.8740 12.31250
181.3561 10.75439
181.8382 5.781738
182.3203 22.62158
182.8025 22.33154
183.2846 8.888184
183.7667 1.615234
184.2488 2.181641
184.7309 14.47168
185.2130 17.27246
185.6951 9.155273
186.1773 2.533691
186.6594 8.743652
187.1415 9.682129
187.6236 8.647461
188.1057 9.419922
188.5878 10.44727
189.0700 3.073242
189.5521 14.80713
190.0342 38.48096
190.5163 64.76660
190.9984 93.72266
191.4805 110.9019
191.9627 93.12354
192.4448 44.62549
192.9269 21.47168
193.4090 40.30762
193.8911 86.02637
194.3732 114.3877
194.8554 124.1636
195.3375 125.4868
195.8196 126.9336
196.3017 128.6528
196.7838 128.4614
197.2659 125.4224
197.7481 120.1245
198.2302 114.7080
198.7123 108.1465
199.1944 105.0044
199.6765 112.5557
200.1586 132.3975
200.6408 152.6748
201.1229 168.5527
201.6050 178.8350
202.0871 190.0391
202.5692 201.7510
203.0513 214.4453
203.5335 229.8467
204.0156 248.8804
204.4977 266.7490
204.9798 279.4775
205.4619 285.4146
205.9440 304.0415
206.4262 340.6650
206.9083 381.1426
207.3904 404.0811
207.8725 407.4346
208.3546 406.0205
208.8367 409.2329
209.3189 418.8442
209.8010 421.6963
210.2831 413.2627
210.7652 397.4731
211.2473 392.2148
211.7294 401.2500
212.2116 412.1294
212.6937 416.2056
213.1758 413.3682
213.6579 405.4160
214.1400 392.1479
214.6221 375.8833
215.1043 357.7593
215.5864 334.5044
216.0685 314.2739
216.5506 309.1924
217.0327 331.2383
217.5148 337.0586
217.9970 308.2583
218.4791 241.1201
218.9612 207.7739
219.4433 223.0063
219.9254 256.8521
220.4075 270.2920
220.8897 256.0547
221.3718 235.6494
221.8539 213.0713
222.3360 185.0977
222.8181 169.3662
223.3002 168.4736
223.7824 178.1436
224.2645 193.5806
224.7466 223.6445
225.2287 246.4604
225.7108 251.8394
226.1929 231.0044
226.6750 216.8501
227.1572 212.9238
227.6393 215.1074
228.1214 213.2065
228.6035 201.2021
229.0856 190.3057
229.5677 187.9839
230.0499 204.6494
230.5320 210.9883
231.0141 201.6807
231.4962 180.9375
231.9783 166.0850
232.4604 159.9194
232.9426 156.0347
233.4247 150.0254
233.9068 137.8062
234.3889 131.8315
234.8710 135.6782
235.3531 148.0127
235.8353 155.7188
236.3174 159.7534
236.7995 158.9854
237.2816 152.1016
237.7637 130.5386
238.2458 114.2612
238.7280 109.0781
239.2101 115.7720
239.6922 117.9756
240.1743 110.2246
240.6564 101.7876
241.1385 102.4023
241.6207 120.2588
242.1028 132.6509
242.5849 136.2197
243.0670 130.7612
243.5491 113.1172
244.0313 69.64941
244.5134 24.82910
244.9955 10.01562
245.4776 46.19238
245.9597 76.22021
246.4418 84.36230
246.9240 66.37744
247.4061 55.15625
247.8882 53.03076
248.3703 55.45947
248.8524 56.41943
249.3345 56.69092
249.8167 53.70947
250.2988 44.37402
250.7809 24.05225
251.2630 17.37744
251.7451 32.74609
252.2272 56.67773
252.7094 64.16162
253.1915 47.53125
253.6736 27.22559
254.1557 9.710449
254.6378 5.843750
255.1199 16.96338
255.6021 26.27539
256.0842 29.88721
256.5663 16.90039
257.0484 22.84326
257.5305 61.88037
258.0126 90.14746
258.4948 110.6396
258.9769 110.8394
259.4590 80.28857
259.9411 33.31445
260.4232 10.06738
260.9053 20.78320
261.3875 36.64307
261.8696 41.46924
262.3517 28.10059
262.8338 27.66748
263.3159 49.31934
263.7980 83.08691
264.2802 91.20264
264.7623 62.01953
265.2444 30.51807
265.7265 18.08057
266.2086 29.75293
266.6907 42.52148
267.1729 55.94678
267.6550 68.42822
268.1371 72.91162
268.6192 65.57910
269.1013 58.28027
269.5834 60.39795
270.0656 74.52100
270.5477 85.73633
271.0298 93.07178
271.5119 95.99072
271.9940 90.11084
272.4761 71.77979
272.9583 54.20605
273.4404 49.41748
273.9225 60.73828
274.4046 66.86572
274.8867 63.92432
275.3688 53.64307
275.8510 41.10303
276.3331 23.56982
276.8152 12.32910
277.2973 23.32080
277.7794 60.53223
278.2615 81.27588
278.7437 73.77441
279.2258 44.12354
279.7079 17.20215
280.1900 8.217773
280.6721 26.09229
281.1542 27.07324
281.6364 10.21240
282.1185 2.095215
282.6006 3.258789
283.0827 3.304199
283.5648 1.504395
284.0469 10.85986
284.5291 20.41064
285.0112 6.427246
285.4933 29.89941
285.9754 47.66211
286.4575 29.96582
286.9396 12.14160
287.4217 40.26074
287.9038 52.96631
288.3860 61.06494
288.8681 81.45898
289.3502 110.7593
289.8323 119.3276
290.3144 86.11133
290.7965 30.22607
291.2787 9.447266
291.7608 26.25977
292.2429 50.48779
292.7250 54.12793
293.2071 40.18604
293.6892 22.47559
294.1714 1.264160
294.6535 22.75342
295.1356 19.72607
295.6177 8.926270
296.0998 42.48438
296.5819 66.68115
297.0641 81.30371
297.5462 84.12549
298.0283 63.42383
298.5104 36.44678
298.9925 33.98828
299.4746 56.25439
299.9568 86.26660
300.4389 120.6528
300.9210 151.8213
301.4031 162.3823
301.8852 123.6772
302.3673 73.38672
302.8495 65.87842
303.3316 100.6328
303.8137 140.2993
304.2958 151.7344
304.7779 146.7017
305.2600 146.1509
305.7422 163.1846
306.2243 184.8247
306.7064 197.4531
307.1885 201.6318
307.6706 205.3496
308.1527 214.4736
308.6349 226.7075
309.1170 238.6631
309.5991 250.1782
310.0812 260.7998
310.5633 268.2539
311.0454 273.0273
311.5276 282.0835
312.0097 302.3984
312.4918 327.8052
312.9739 352.1582
313.4560 372.6187
313.9381 392.5059
314.4203 418.4907
314.9024 450.2651
315.3845 470.6294
315.8666 459.9302
316.3487 439.2095
316.8308 428.4150
317.3130 451.8838
317.7951 469.0166
318.2772 452.2710
318.7593 406.2334
319.2414 381.7471
319.7235 421.4077
320.2057 476.1113
320.6878 507.0850
321.1699 473.7891
321.6520 448.4800
322.1341 453.9473
322.6162 487.3154
323.0984 517.6099
323.5805 540.6763
324.0626 558.1460
324.5447 571.0732
325.0268 568.4038
325.5089 573.5713
325.9911 587.7749
326.4732 611.2832
326.9553 648.3906
327.4374 713.2515
327.9195 782.3584
328.4016 842.8159
328.8838 895.1797
329.3659 937.3428
329.8480 961.5293
330.3301 971.9058
330.8122 996.4888
331.2943 1047.656
331.7765 1102.926
332.2586 1143.920
332.7407 1161.290
333.2228 1186.453
333.7049 1222.802
334.1870 1268.609
334.6692 1317.291
335.1513 1369.768
335.6334 1425.120
336.1155 1482.889
336.5976 1545.546
337.0797 1603.999
337.5619 1654.135
338.0440 1701.582
338.5261 1764.572
339.0082 1850.926
339.4903 1940.872
339.9724 2017.915
340.4546 2079.428
340.9367 2152.768
341.4188 2244.941
341.9009 2344.670
342.3830 2424.171
342.8651 2480.078
343.3473 2542.716
343.8294 2639.335
344.3115 2769.492
344.7936 2876.636
345.2757 2956.236
345.7578 3014.145
346.2400 3064.854
346.7221 3105.951
347.2042 3120.295
347.6863 3095.781
348.1684 3037.252
348.6505 2958.551
349.1327 2858.682
349.6148 2741.768
350.0969 2600.404
350.5790 2441.289
351.0611 2293.706
351.5432 2186.835
352.0254 2095.252
352.5075 1968.713
352.9896 1803.665
353.4717 1643.712
353.9538 1529.060
354.4359 1447.398
354.9181 1378.228
355.4002 1323.817
355.8823 1271.332
356.3644 1203.271
356.8465 1119.447
357.3286 1046.486
357.8108 1005.078
358.2929 983.6665
358.7750 967.4014
359.2571 956.1436
359.7392 940.1328
360.2213 916.4790
360.7035 885.7915
361.1856 857.2603
361.6677 831.8521
362.1498 811.7456
362.6319 798.5557
363.1140 795.3687
363.5962 796.2573
364.0783 801.2446
364.5604 809.6245
365.0425 816.8984
365.5246 820.8501
366.0067 824.1382
366.4889 828.4019
366.9710 843.7734
367.4531 848.7881
367.9352 828.7559
368.4173 792.8735
368.8994 782.3286
369.3815 831.5420
369.8636 876.8315
370.3458 888.7886
370.8279 836.1240
371.3100 804.8921
371.7921 808.5229
372.2742 830.4585
372.7563 828.7183
373.2385 792.0063
373.7206 749.9316
374.2027 713.4761
374.6848 683.0835
375.1669 657.9512
375.6490 642.2485
376.1312 627.3916
376.6133 596.3462
377.0954 544.3496
377.5775 494.8750
378.0596 453.1045
378.5417 419.8906
379.0239 410.1929
379.5060 431.8086
379.9881 453.8960
380.4702 428.9263
380.9523 358.7329
381.4344 300.7568
381.9166 279.7114
382.3987 283.6689
382.8808 275.5073
383.3629 254.6504
383.8450 229.5977
384.3271 207.9580
384.8093 188.5327
385.2914 167.4883
385.7735 138.8975
386.2556 112.7100
386.7377 113.3784
387.2198 136.1704
387.7020 144.8818
388.1841 89.10840
388.6662 11.28662
389.1483 29.01123
389.6304 1.404785
390.1125 43.17871
390.5947 52.60645
391.0768 37.32471
391.5589 20.27002
392.0410 9.781738
392.5231 4.178223
393.0052 4.310547
393.4874 15.70312
393.9695 19.20801
394.4516 7.983398
394.9337 46.74512
395.4158 62.00391
395.8979 17.43994
396.3801 29.57324
396.8622 54.99951
397.3443 51.31006
397.8264 45.37793
398.3085 38.24707
398.7906 31.27490
399.2728 26.22168
399.7549 27.88135
400.2370 26.09961
400.7191 17.41309
401.2012 1.161621
401.6833 10.27734
402.1655 13.02393
402.6476 14.45215
403.1297 22.65967
403.6118 45.16650
404.0939 54.97705
404.5760 43.77051
405.0582 16.28711
405.5403 1.376465
406.0224 7.262207
406.5045 8.335449
406.9866 5.872070
407.4688 0.9384770
407.9509 5.114258
408.4330 30.79541
408.9151 63.24365
409.3972 74.33057
409.8793 63.87988
410.3615 48.41553
410.8436 34.06006
411.3257 21.81689
411.8078 15.97070
412.2899 17.50732
412.7720 22.39600
413.2542 27.37695
413.7363 32.02393
414.2184 35.13770
414.7005 39.63672
415.1826 40.51270
415.6647 22.25537
416.1469 15.93652
416.6290 36.15039
417.1111 7.875000
417.5932 81.34766
418.0753 137.1240
418.5574 149.7520
419.0396 150.0405
419.5217 152.3647
420.0038 155.9131
420.4859 155.8784
420.9680 144.5332
421.4501 132.5161
421.9323 127.6240
422.4144 140.4199
422.8965 148.1729
423.3786 139.1675
423.8607 121.8496
424.3428 119.9453
424.8250 166.2769
425.3071 201.2749
425.7892 200.4043
426.2713 142.3701
426.7534 106.1328
427.2355 97.36230
427.7177 106.6592
428.1998 123.0381
428.6819 153.5879
429.1640 173.5405
429.6461 168.3438
430.1282 138.8608
430.6104 146.1660
431.0925 202.7095
431.5746 263.0332
432.0567 270.5981
432.5388 223.1875
433.0209 202.8110
433.5031 238.1113
433.9852 301.7705
434.4673 325.2114
434.9494 309.2505
435.4315 284.5098
435.9136 267.9355
436.3958 259.7373
436.8779 263.0391
437.3600 282.3970
437.8421 301.8877
438.3242 300.1758
438.8063 283.7153
439.2885 270.4248
439.7706 272.4521
440.2527 280.1279
440.7348 283.4795
441.2169 280.9673
441.6990 282.0986
442.1812 300.2163
442.6633 322.1348
443.1454 332.5054
443.6275 314.1177
444.1096 295.0947
444.5917 280.6392
445.0739 271.6509
445.5560 277.4487
446.0381 329.7021
446.5202 377.0479
447.0023 387.0669
447.4844 310.3193
447.9666 265.0591
448.4487 269.9590
448.9308 305.5376
449.4129 318.0078
449.8950 294.2520
450.3771 268.6763
450.8593 255.5957
451.3413 258.2144
451.8235 254.2256
452.3056 238.9336
452.7877 220.9790
453.2698 220.4941
453.7519 243.7256
454.2340 256.2090
454.7162 239.4106
455.1983 204.8164
455.6804 199.1636
456.1625 224.2500
456.6446 246.2944
457.1267 228.1934
457.6089 184.1538
458.0910 154.6621
458.5731 154.0625
459.0552 160.4072
459.5373 147.5098
460.0194 118.3760
460.5016 90.26855
460.9837 55.92529
461.4658 36.71484
461.9479 62.63037
462.4300 153.4971
462.9121 220.6704
463.3943 189.0747
463.8764 114.5020
464.3585 58.47949
464.8406 50.67920
465.3227 57.78223
465.8048 77.57031
466.2870 110.0879
466.7691 129.9468
467.2512 121.2178
467.7333 108.9995
468.2154 108.6543
468.6975 137.5381
469.1797 150.0874
469.6618 134.5264
470.1439 104.6738
470.6260 98.87354
471.1081 125.6636
471.5902 155.9233
472.0724 178.6987
472.5545 193.2515
473.0366 200.3037
473.5187 200.1152
474.0008 196.1099
474.4829 192.6675
474.9651 193.7329
475.4472 199.4546
475.9293 216.6235
476.4114 235.0225
476.8935 226.8828
477.3756 194.7251
477.8578 168.2393
478.3399 183.7861
478.8220 214.7500
479.3041 217.3623
479.7862 171.8369
480.2683 125.8706
480.7505 117.6025
481.2326 135.4194
481.7147 154.5322
482.1968 162.5977
482.6789 170.8926
483.1610 189.0596
483.6432 220.0654
484.1253 238.0161
484.6074 222.5723
485.0895 197.7822
485.5716 184.4609
486.0537 192.6299
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1253.101 125.3398
1253.583 109.1113
1254.065 115.7441
1254.547 151.7715
1255.030 156.7266
1255.512 120.7520
1255.994 89.59961
1256.476 70.52344
1256.958 59.41211
1257.440 46.94531
1257.922 36.06641
1258.404 33.45508
1258.886 40.01367
1259.369 53.30078
1259.851 76.64453
1260.333 91.69531
1260.815 84.48242
1261.297 72.89648
1261.779 90.83398
1262.261 115.9043
1262.743 108.8613
1263.226 48.62109
1263.708 33.72852
1264.190 72.92578
1264.672 99.05078
1265.154 51.57227
1265.636 3.937500
1266.118 16.90039
1266.600 69.35352
1267.083 72.34961
1267.565 4.617188
1268.047 7.324219
1268.529 69.69922
1269.011 140.2871
1269.493 142.3770
1269.975 118.4648
1270.457 87.67578
1270.939 58.86914
1271.422 43.75977
1271.904 41.93945
1272.386 65.89062
1272.868 115.8223
1273.350 145.9785
1273.832 112.3594
1274.314 68.29102
1274.796 109.3887
1275.278 170.9219
1275.761 161.9199
1276.243 85.76172
1276.725 38.83594
1277.207 28.28320
1277.689 26.01953
1278.171 10.93750
1278.653 0.4667970
1279.135 4.707031
1279.618 11.75586
1280.100 0.0000000E+00
