#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:20:26 +0300 (Thu, 24 May 2018) $
#$Revision: 654 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000186.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_1000186
loop_
_publ_author_name
'Novak, G. A.'
'Gibbs, G. V.'
_publ_section_title
;
 The crystal chemistry of the silicate garnets sample Al
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               825
_journal_volume                  56
_journal_year                    1971
_chemical_compound_source        R040076
_chemical_formula_sum            'Al2 Ca0.12 Fe2.58 Mg0.27 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                   11.531
_cell_length_b                   11.531
_cell_length_c                   11.531
_cell_volume                     1533.207
_exptl_crystal_density_diffrn    4.208
_cod_original_formula_sum        'Si3 Al2 Fe2.58 Mg.27 Ca.12 O12'
_cod_database_code               9000233
_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            R040076.rod
_rod_data_source.block           3500000
_rod_database.code               1000186
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 9000233 COD http://www.crystallography.net/cod/9000233.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
127.8412 0.0000000E+00
128.3233 0.3881840
128.8054 4.0894002E-02
129.2875 14.57031
129.7696 35.29163
130.2518 48.83948
130.7339 61.63159
131.2160 62.51233
131.6981 49.03168
132.1802 23.45380
132.6623 3.657593
133.1445 5.268311
133.6266 3.685669
134.1087 8.457458
134.5908 32.83209
135.0729 63.33868
135.5550 93.47815
136.0372 124.1767
136.5193 146.2394
137.0014 146.8638
137.4835 122.3224
137.9656 124.9736
138.4477 170.5850
138.9299 241.5435
139.4120 273.5999
139.8941 255.5624
140.3762 223.7139
140.8583 205.5521
141.3404 205.3918
141.8226 205.5416
142.3047 202.6146
142.7868 196.5004
143.2689 193.0056
143.7510 195.2687
144.2331 197.5389
144.7152 191.8497
145.1974 172.7833
145.6795 154.1860
146.1616 139.4338
146.6437 128.2382
147.1258 121.6648
147.6079 119.3339
148.0901 121.6185
148.5722 129.7689
149.0543 151.9624
149.5364 172.8577
150.0185 185.6235
150.5006 182.7816
150.9828 180.6715
151.4649 181.5369
151.9470 184.7709
152.4291 183.4551
152.9112 163.8148
153.3933 146.7775
153.8755 146.9618
154.3576 194.3464
154.8397 231.1993
155.3218 242.4714
155.8039 224.2094
156.2860 204.6694
156.7682 184.0083
157.2503 166.1399
157.7324 155.9109
158.2145 163.0338
158.6966 171.4974
159.1787 174.0839
159.6609 166.7515
160.1430 160.5807
160.6251 160.7715
161.1072 164.7896
161.5893 166.7272
162.0714 166.6932
162.5536 162.6403
163.0357 152.9231
163.5178 132.8711
163.9999 111.8884
164.4820 93.99939
164.9641 78.88550
165.4463 65.20593
165.9284 50.35547
166.4105 37.12720
166.8926 28.55322
167.3747 22.24707
167.8568 23.34058
168.3390 33.81311
168.8211 53.26184
169.3032 85.84912
169.7853 160.1921
170.2674 248.1066
170.7495 300.3417
171.2317 261.1877
171.7138 190.7997
172.1959 148.0475
172.6780 141.5026
173.1601 154.5298
173.6422 182.2764
174.1244 220.5868
174.6065 255.2635
175.0886 277.4102
175.5707 291.2141
176.0528 303.6356
176.5349 318.8987
177.0171 329.0132
177.4992 321.2894
177.9813 297.3901
178.4634 271.2053
178.9455 254.1899
179.4276 242.9631
179.9098 229.2477
180.3919 208.1189
180.8740 184.2887
181.3561 163.9092
181.8382 147.0944
182.3203 134.6154
182.8025 131.0031
183.2846 133.8167
183.7667 132.9622
184.2488 120.3956
184.7309 100.7921
185.2130 89.03870
185.6951 86.22314
186.1773 85.80872
186.6594 77.06042
187.1415 60.91150
187.6236 47.34290
188.1057 42.89563
188.5878 46.58472
189.0700 52.03638
189.5521 59.23340
190.0342 65.37231
190.5163 63.32385
190.9984 53.28918
191.4805 44.84338
191.9627 43.68774
192.4448 49.58728
192.9269 62.24805
193.4090 84.84119
193.8911 112.7959
194.3732 130.1542
194.8554 135.2579
195.3375 139.3048
195.8196 155.3313
196.3017 183.5818
196.7838 205.7659
197.2659 213.8695
197.7481 210.9684
198.2302 218.0898
198.7123 237.3921
199.1944 261.1290
199.6765 280.5922
200.1586 296.1637
200.6408 309.5172
201.1229 319.4336
201.6050 326.1464
202.0871 337.2230
202.5692 353.9678
203.0513 373.1313
203.5335 389.4302
204.0156 403.5610
204.4977 417.3109
204.9798 431.8340
205.4619 447.3710
205.9440 461.1864
206.4262 472.9292
206.9083 483.0477
207.3904 493.3242
207.8725 504.1545
208.3546 512.9149
208.8367 517.7836
209.3189 518.6669
209.8010 517.8702
210.2831 515.1167
210.7652 510.8022
211.2473 507.8970
211.7294 506.3401
212.2116 506.4399
212.6937 510.2413
213.1758 521.9839
213.6579 523.5039
214.1400 510.7238
214.6221 484.3612
215.1043 460.8755
215.5864 442.1150
216.0685 425.6573
216.5506 409.0389
217.0327 392.6127
217.5148 374.6667
217.9970 353.6389
218.4791 329.2886
218.9612 308.4615
219.4433 291.7434
219.9254 278.1029
220.4075 267.1975
220.8897 262.0126
221.3718 253.2220
221.8539 235.8068
222.3360 205.1652
222.8181 187.4590
223.3002 189.3783
223.7824 200.2333
224.2645 200.0068
224.7466 182.2610
225.2287 164.5457
225.7108 155.0365
226.1929 156.9764
226.6750 154.4321
227.1572 147.5353
227.6393 137.6423
228.1214 127.8555
228.6035 118.4242
229.0856 108.8684
229.5677 98.30334
230.0499 83.86633
230.5320 75.46533
231.0141 75.66431
231.4962 82.32446
231.9783 87.19263
232.4604 91.46423
232.9426 92.31799
233.4247 86.77283
233.9068 68.42090
234.3889 57.48157
234.8710 59.40747
235.3531 72.10266
235.8353 75.76331
236.3174 65.82251
236.7995 52.07617
237.2816 41.35522
237.7637 33.03101
238.2458 29.19153
238.7280 32.01257
239.2101 41.33838
239.6922 45.94312
240.1743 42.73169
240.6564 37.86511
241.1385 37.73242
241.6207 47.60681
242.1028 52.61621
242.5849 48.18494
243.0670 33.18359
243.5491 23.48438
244.0313 22.84436
244.5134 24.36975
244.9955 19.29688
245.4776 1.711304
245.9597 12.27625
246.4418 18.98804
246.9240 17.95850
247.4061 11.47791
247.8882 4.988525
248.3703 23.59680
248.8524 32.57971
249.3345 28.06482
249.8167 20.51978
250.2988 12.22253
250.7809 2.245850
251.2630 4.677856
251.7451 7.292725
252.2272 7.570923
252.7094 9.431641
253.1915 15.36560
253.6736 18.63440
254.1557 16.16382
254.6378 5.522339
255.1199 3.618896
255.6021 12.34241
256.0842 18.99292
256.5663 18.81360
257.0484 7.349243
257.5305 3.191162
258.0126 6.369873
258.4948 2.635864
258.9769 4.467529
259.4590 6.004517
259.9411 21.96936
260.4232 23.06042
260.9053 0.5964360
261.3875 20.90161
261.8696 28.43945
262.3517 17.72510
262.8338 5.810669
263.3159 8.014771
263.7980 22.13000
264.2802 30.41113
264.7623 31.93640
265.2444 29.66431
265.7265 23.89038
266.2086 12.44885
266.6907 6.536133
267.1729 9.818237
267.6550 18.89575
268.1371 20.39355
268.6192 12.61584
269.1013 1.062134
269.5834 14.11792
270.0656 36.92163
270.5477 42.00439
271.0298 17.83398
271.5119 25.13525
271.9940 39.00305
272.4761 14.76477
272.9583 15.93713
273.4404 28.52832
273.9225 19.27991
274.4046 12.62402
274.8867 13.45178
275.3688 19.50598
275.8510 19.79504
276.3331 12.80957
276.8152 4.608154
277.2973 0.4975590
277.7794 0.9313960
278.2615 0.9322510
278.7437 1.203247
279.2258 4.402222
279.7079 3.328125
280.1900 2.709351
280.6721 10.36902
281.1542 19.66028
281.6364 31.08887
282.1185 30.84314
282.6006 8.921753
283.0827 25.58887
283.5648 31.24634
284.0469 3.434082
284.5291 29.24719
285.0112 31.63232
285.4933 5.205444
285.9754 1.370605
286.4575 46.69678
286.9396 120.7789
287.4217 147.4302
287.9038 122.0118
288.3860 82.51074
288.8681 65.09192
289.3502 67.73145
289.8323 70.85938
290.3144 68.42786
290.7965 62.71179
291.2787 61.07141
291.7608 63.94055
292.2429 65.95935
292.7250 58.70801
293.2071 44.76538
293.6892 37.17358
294.1714 43.07458
294.6535 56.82568
295.1356 66.63062
295.6177 72.45544
296.0998 76.39453
296.5819 79.95959
297.0641 83.25586
297.5462 86.41626
298.0283 88.16882
298.5104 90.51086
298.9925 97.25903
299.4746 108.4775
299.9568 121.4346
300.4389 135.3051
300.9210 149.1670
301.4031 161.2126
301.8852 169.0095
302.3673 175.4684
302.8495 185.8149
303.3316 199.4542
303.8137 210.1992
304.2958 209.7794
304.7779 204.2552
305.2600 203.9075
305.7422 212.5438
306.2243 228.0483
306.7064 253.7362
307.1885 289.0396
307.6706 318.0671
308.1527 323.5067
308.6349 316.9371
309.1170 314.5430
309.5991 309.1566
310.0812 320.1816
310.5633 379.3812
311.0454 483.0151
311.5276 563.2378
312.0097 558.2355
312.4918 515.9673
312.9739 489.2072
313.4560 512.4408
313.9381 542.4346
314.4203 552.3827
314.9024 544.1769
315.3845 541.3900
315.8666 561.6045
316.3487 590.9216
316.8308 615.1863
317.3130 627.7633
317.7951 635.4420
318.2772 639.5298
318.7593 641.8545
319.2414 646.5062
319.7235 661.7478
320.2057 676.3147
320.6878 681.2930
321.1699 660.0829
321.6520 642.5691
322.1341 637.6750
322.6162 644.9016
323.0984 655.0012
323.5805 662.6125
324.0626 675.2413
324.5447 697.4583
325.0268 742.0638
325.5089 781.6289
325.9911 810.4664
326.4732 829.9832
326.9553 853.1708
327.4374 880.5447
327.9195 910.8689
328.4016 943.6641
328.8838 977.4478
329.3659 1014.136
329.8480 1054.814
330.3301 1101.241
330.8122 1151.280
331.2943 1203.922
331.7765 1260.134
332.2586 1320.581
332.7407 1386.674
333.2228 1454.972
333.7049 1528.109
334.1870 1603.763
334.6692 1671.296
335.1513 1721.980
335.6334 1779.665
336.1155 1860.176
336.5976 1974.893
337.0797 2077.663
337.5619 2162.802
338.0440 2235.524
338.5261 2306.137
339.0082 2371.801
339.4903 2443.005
339.9724 2523.338
340.4546 2613.124
340.9367 2715.759
341.4188 2837.449
341.9009 2969.121
342.3830 3084.663
342.8651 3180.957
343.3473 3286.078
343.8294 3416.340
344.3115 3571.183
344.7936 3722.847
345.2757 3865.943
345.7578 4018.826
346.2400 4232.781
346.7221 4500.677
347.2042 4745.482
347.6863 4901.982
348.1684 5003.052
348.6505 5160.824
349.1327 5386.609
349.6148 5645.553
350.0969 5909.915
350.5790 6175.963
351.0611 6429.838
351.5432 6675.983
352.0254 6900.964
352.5075 7085.865
352.9896 7227.968
353.4717 7337.846
353.9538 7431.221
354.4359 7499.085
354.9181 7520.411
355.4002 7467.246
355.8823 7375.805
356.3644 7295.325
356.8465 7227.166
357.3286 7099.192
357.8108 6819.262
358.2929 6463.446
358.7750 6125.998
359.2571 5853.935
359.7392 5598.799
360.2213 5331.388
360.7035 5053.286
361.1856 4791.938
361.6677 4562.811
362.1498 4354.594
362.6319 4154.729
363.1140 3952.126
363.5962 3765.125
364.0783 3600.228
364.5604 3456.477
365.0425 3327.554
365.5246 3213.440
366.0067 3110.734
366.4889 3017.539
366.9710 2938.357
367.4531 2864.981
367.9352 2794.587
368.4173 2728.391
368.8994 2674.490
369.3815 2651.937
369.8636 2627.425
370.3458 2586.834
370.8279 2517.561
371.3100 2454.150
371.7921 2395.250
372.2742 2340.747
372.7563 2292.618
373.2385 2258.136
373.7206 2221.336
374.2027 2173.859
374.6848 2110.184
375.1669 2057.720
375.6490 2020.753
376.1312 1990.337
376.6133 1951.065
377.0954 1901.649
377.5775 1849.173
378.0596 1795.638
378.5417 1741.577
379.0239 1680.897
379.5060 1612.986
379.9881 1542.868
380.4702 1476.754
380.9523 1414.125
381.4344 1356.723
381.9166 1308.349
382.3987 1264.993
382.8808 1210.050
383.3629 1143.572
383.8450 1077.633
384.3271 1025.111
384.8093 981.7368
385.2914 937.6155
385.7735 888.1670
386.2556 839.2602
386.7377 802.7068
387.2198 777.4899
387.7020 751.9082
388.1841 714.0449
388.6662 671.2119
389.1483 634.0345
389.6304 608.9428
390.1125 585.7068
390.5947 552.4111
391.0768 512.1996
391.5589 477.9819
392.0410 463.6239
392.5231 453.8883
393.0052 437.4562
393.4874 410.3298
393.9695 381.2655
394.4516 347.8362
394.9337 314.7929
395.4158 291.0183
395.8979 292.3107
396.3801 291.7064
396.8622 275.2178
397.3443 233.8708
397.8264 206.4113
398.3085 208.1438
398.7906 220.6583
399.2728 224.0809
399.7549 214.8049
400.2370 199.9810
400.7191 177.9211
401.2012 147.6031
401.6833 125.8328
402.1655 116.3906
402.6476 112.0411
403.1297 106.1621
403.6118 95.78705
404.0939 92.05225
404.5760 101.2136
405.0582 118.7568
405.5403 116.8441
406.0224 89.16357
406.5045 60.49438
406.9866 49.17822
407.4688 56.16718
407.9509 63.63690
408.4330 70.62384
408.9151 75.96906
409.3972 77.42291
409.8793 74.96051
410.3615 68.99341
410.8436 56.17267
411.3257 39.54822
411.8078 30.45996
412.2899 30.39392
412.7720 34.07458
413.2542 37.72552
413.7363 40.44086
414.2184 39.47998
414.7005 30.94281
415.1826 19.40692
415.6647 8.428284
416.1469 1.843689
416.6290 7.011963
417.1111 1.883728
417.5932 16.31165
418.0753 24.89661
418.5574 19.28705
419.0396 11.01044
419.5217 4.429138
420.0038 0.2396240
420.4859 2.149780
420.9680 4.836670
421.4501 11.23608
421.9323 9.931946
422.4144 12.54028
422.8965 25.97528
423.3786 17.26666
423.8607 5.081421
424.3428 16.64856
424.8250 1.361694
425.3071 12.27081
425.7892 12.74255
426.2713 9.050537
426.7534 19.30347
427.2355 13.39099
427.7177 1.185364
428.1998 14.60516
428.6819 29.42511
429.1640 37.06006
429.6461 32.02594
430.1282 14.82214
430.6104 8.654907
431.0925 16.54224
431.5746 27.81244
432.0567 31.77588
432.5388 28.26855
433.0209 23.60046
433.5031 18.36285
433.9852 13.36499
434.4673 11.58289
434.9494 12.90906
435.4315 12.91321
435.9136 7.839783
436.3958 1.021057
436.8779 11.95880
437.3600 26.81293
437.8421 37.47681
438.3242 30.68134
438.8063 11.68487
439.2885 4.789978
439.7706 8.210388
440.2527 7.390015
440.7348 11.68030
441.2169 22.61877
441.6990 30.01868
442.1812 25.24823
442.6633 14.77722
443.1454 6.265503
443.6275 1.208557
444.1096 0.6108400
444.5917 3.204712
445.0739 11.99121
445.5560 16.62976
446.0381 10.85553
446.5202 3.418274
447.0023 0.5260010
447.4844 5.842041
447.9666 7.134521
448.4487 1.253845
448.9308 14.48193
449.4129 18.88593
449.8950 9.705444
450.3771 0.5573730
450.8593 7.514771
451.3413 10.97809
451.8235 11.87237
452.3056 10.04266
452.7877 5.876770
453.2698 2.602356
453.7519 16.32617
454.2340 22.28290
454.7162 11.29248
455.1983 9.185730
455.6804 10.89001
456.1625 6.996216
456.6446 29.85345
457.1267 49.64777
457.6089 64.83929
458.0910 70.87628
458.5731 63.05176
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1283.474 6.6528000E-02
1283.957 0.0000000E+00
