#------------------------------------------------------------------------------
#$Date: 2018-04-23 15:09:42 +0300 (Mon, 23 Apr 2018) $
#$Revision: 440 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000022.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_1000022
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 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            R040076.rod
_rod_data_source.block           3500000
_rod_database.code               1000022
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
127.2373 0.0000000E+00
127.7194 2.465332
128.2015 8.4716998E-02
128.6837 3.706299
129.1658 18.53833
129.6479 57.74585
130.1300 86.03857
130.6121 106.8215
131.0942 116.3118
131.5764 123.6648
132.0585 90.02930
132.5406 42.92578
133.0227 15.13062
133.5048 32.34912
133.9869 42.03467
134.4691 30.55542
134.9512 7.843018
135.4333 9.911865
135.9154 12.83691
136.3975 0.9191890
136.8796 20.71509
137.3618 60.36987
137.8439 100.1436
138.3260 135.4014
138.8081 164.7644
139.2902 182.6270
139.7723 180.0530
140.2545 157.1348
140.7366 143.8982
141.2187 149.2944
141.7008 161.8008
142.1829 169.6196
142.6650 171.2310
143.1472 168.3276
143.6293 159.1228
144.1114 145.2151
144.5935 135.0613
145.0756 131.4746
145.5577 134.1792
146.0399 144.3877
146.5220 172.1431
147.0041 195.0164
147.4862 191.6526
147.9683 163.4124
148.4504 135.2124
148.9326 129.8596
149.4147 149.5215
149.8968 168.3606
150.3789 183.7402
150.8610 195.5627
151.3431 203.5552
151.8252 207.6382
152.3074 207.6230
152.7895 202.3838
153.2716 188.5374
153.7537 176.5903
154.2358 164.4456
154.7179 155.8110
155.2001 155.0110
155.6822 163.9363
156.1643 179.3308
156.6464 191.2764
157.1285 201.2625
157.6106 205.2351
158.0928 201.3862
158.5749 191.6733
159.0570 177.2117
159.5391 157.9641
160.0212 135.1099
160.5033 123.4658
160.9855 130.9810
161.4676 139.8005
161.9497 147.6887
162.4318 152.9304
162.9139 151.7056
163.3960 139.6646
163.8782 116.3694
164.3603 100.7451
164.8424 94.23926
165.3245 93.16919
165.8066 96.47876
166.2887 103.8770
166.7709 113.6836
167.2530 127.8096
167.7351 145.6096
168.2172 149.2720
168.6993 120.3892
169.1814 82.84985
169.6636 66.48975
170.1457 77.47046
170.6278 101.8599
171.1099 127.7349
171.5920 155.0432
172.0741 185.6743
172.5563 223.7786
173.0384 266.2063
173.5205 301.9592
174.0026 323.5376
174.4847 347.0334
174.9668 390.0464
175.4490 450.9165
175.9311 507.9116
176.4132 547.0642
176.8953 568.7732
177.3774 580.7302
177.8595 582.1726
178.3417 574.4023
178.8238 557.0317
179.3059 530.2388
179.7880 497.8250
180.2701 463.0410
180.7522 424.8557
181.2344 387.9324
181.7165 354.7732
182.1986 321.9070
182.6807 286.1482
183.1628 246.9060
183.6449 207.5808
184.1271 173.2983
184.6092 142.9241
185.0913 120.8645
185.5734 107.7798
186.0555 101.6768
186.5376 102.4678
187.0198 110.0046
187.5019 121.4351
187.9840 129.6365
188.4661 135.8569
188.9482 136.2737
189.4303 121.5615
189.9125 103.8276
190.3946 98.87964
190.8767 115.3232
191.3588 147.3201
191.8409 167.6599
192.3230 162.0479
192.8052 160.5996
193.2873 168.2891
193.7694 183.5386
194.2515 203.0615
194.7336 223.8008
195.2157 246.3740
195.6979 274.4397
196.1800 313.6746
196.6621 349.5740
197.1442 375.0007
197.6263 393.0269
198.1084 410.2747
198.5906 431.5767
199.0727 456.3206
199.5548 477.3618
200.0369 483.5188
200.5190 495.4460
201.0011 532.8389
201.4833 593.7271
201.9654 650.7209
202.4475 682.2651
202.9296 690.7461
203.4117 707.4053
203.8938 735.3750
204.3760 771.6492
204.8581 817.5488
205.3402 872.6401
205.8223 922.2649
206.3044 955.5825
206.7865 977.1772
207.2687 996.2478
207.7508 1015.151
208.2329 1032.279
208.7150 1044.130
209.1971 1049.934
209.6792 1055.921
210.1614 1070.213
210.6435 1086.518
211.1256 1090.633
211.6077 1066.041
212.0898 1029.594
212.5719 1019.661
213.0541 1050.520
213.5362 1081.450
214.0183 1088.533
214.5004 1075.700
214.9825 1049.351
215.4646 1004.353
215.9468 946.3120
216.4289 900.9065
216.9110 876.3386
217.3931 854.7722
217.8752 826.0083
218.3573 791.2883
218.8395 755.0046
219.3216 718.1807
219.8037 681.5959
220.2858 651.7681
220.7679 634.2847
221.2500 617.2737
221.7322 597.8628
222.2143 574.8037
222.6964 545.5479
223.1785 502.7520
223.6606 445.0935
224.1427 404.0078
224.6249 397.4062
225.1070 392.8733
225.5891 379.4709
226.0712 357.1682
226.5533 330.9739
227.0354 301.7190
227.5176 266.2305
227.9997 240.8638
228.4818 236.9094
228.9639 234.9448
229.4460 226.5857
229.9281 212.5459
230.4103 199.1790
230.8924 194.0144
231.3745 199.8806
231.8566 200.9700
232.3387 195.0210
232.8208 186.6169
233.3030 174.1960
233.7851 159.8708
234.2672 150.4690
234.7493 155.6682
235.2314 183.7063
235.7135 195.8745
236.1957 184.4128
236.6778 166.5037
237.1599 148.6187
237.6420 132.6646
238.1241 119.3950
238.6062 110.3372
239.0884 108.0129
239.5705 101.3948
240.0526 82.14941
240.5347 65.81787
241.0168 64.33203
241.4989 77.37939
241.9811 94.09839
242.4632 101.6736
242.9453 95.70605
243.4274 93.79834
243.9095 105.5854
244.3916 113.8303
244.8738 102.2715
245.3559 71.42627
245.8380 38.93970
246.3201 24.53735
246.8022 31.29395
247.2843 51.77051
247.7665 112.4490
248.2486 167.3391
248.7307 176.6848
249.2128 138.6660
249.6949 87.19238
250.1770 61.16382
250.6592 71.67651
251.1413 70.76782
251.6234 48.97510
252.1055 22.89014
252.5876 1.483154
253.0697 12.87988
253.5519 17.85693
254.0340 9.478760
254.5161 16.66650
254.9982 40.66724
255.4803 69.37134
255.9624 91.50366
256.4445 97.33887
256.9267 85.86377
257.4088 63.03833
257.8909 31.66870
258.3730 12.21533
258.8551 38.34644
259.3372 34.02490
259.8194 20.10425
260.3015 10.93140
260.7836 8.676270
261.2657 12.76880
261.7478 26.27905
262.2299 51.72632
262.7121 58.09009
263.1942 24.75806
263.6763 14.62476
264.1584 31.58496
264.6405 23.77319
265.1227 8.513428
265.6048 1.788330
266.0869 4.229492
266.5690 1.377930
267.0511 31.00537
267.5332 58.46191
268.0154 55.67065
268.4975 22.19507
268.9796 10.58472
269.4617 14.49756
269.9438 10.61377
270.4259 24.94067
270.9081 19.72729
271.3902 8.909668
271.8723 2.704346
272.3544 1.602295
272.8365 1.996826
273.3186 0.9841310
273.8008 1.000000
274.2829 0.3715820
274.7650 6.056885
275.2471 12.76685
275.7292 14.83838
276.2113 12.50781
276.6935 10.71411
277.1756 13.61279
277.6577 20.08984
278.1398 22.57397
278.6219 19.54517
279.1040 13.76025
279.5862 6.930664
280.0683 0.9829100
280.5504 11.33130
281.0325 28.08765
281.5146 46.96191
281.9967 53.04663
282.4789 38.63452
282.9610 18.80859
283.4431 2.835693
283.9252 24.38062
284.4073 33.18335
284.8894 17.75928
285.3716 13.09229
285.8537 30.66235
286.3358 26.18628
286.8179 20.04565
287.3000 22.03125
287.7821 31.43896
288.2643 47.08813
288.7464 72.86621
289.2285 100.7124
289.7106 110.9458
290.1927 95.55420
290.6748 78.93237
291.1570 70.91479
291.6391 70.52856
292.1212 75.65918
292.6033 87.02441
293.0854 101.5081
293.5675 112.5793
294.0497 119.3545
294.5318 126.0779
295.0139 134.9739
295.4960 145.0745
295.9781 154.4658
296.4602 162.8767
296.9424 169.5967
297.4245 172.5559
297.9066 171.1555
298.3887 170.1721
298.8708 169.9512
299.3529 171.3120
299.8351 175.6887
300.3172 183.4863
300.7993 194.2876
301.2814 209.6553
301.7635 230.5283
302.2456 246.5063
302.7278 244.2490
303.2099 239.5618
303.6920 260.1672
304.1741 314.0095
304.6562 369.2876
305.1383 383.6211
305.6205 353.8142
306.1026 343.5042
306.5847 375.7803
307.0668 423.5371
307.5489 459.3135
308.0310 479.7239
308.5132 495.9031
308.9953 517.9199
309.4774 546.1023
309.9595 572.2849
310.4416 589.9019
310.9237 608.6887
311.4059 639.9583
311.8880 683.7207
312.3701 728.3613
312.8522 763.8660
313.3343 790.0974
313.8164 816.7634
314.2986 841.2302
314.7807 868.2273
315.2628 904.6956
315.7449 947.4866
316.2270 982.9485
316.7091 1002.029
317.1913 1008.734
317.6734 1017.516
318.1555 1035.421
318.6376 1046.877
319.1197 1038.227
319.6018 1017.587
320.0840 1005.723
320.5661 1015.910
321.0482 1042.656
321.5303 1058.917
322.0124 1055.742
322.4945 1052.449
322.9767 1047.293
323.4588 1045.615
323.9409 1057.725
324.4230 1087.634
324.9051 1126.257
325.3872 1158.476
325.8694 1179.504
326.3515 1209.629
326.8336 1252.094
327.3157 1300.735
327.7978 1350.578
328.2799 1400.258
328.7621 1451.318
329.2442 1503.934
329.7263 1550.661
330.2084 1619.641
330.6905 1735.998
331.1726 1855.367
331.6548 1940.690
332.1369 1990.901
332.6190 2036.040
333.1011 2107.452
333.5832 2210.775
334.0653 2311.868
334.5475 2414.579
335.0296 2511.801
335.5117 2590.897
335.9938 2659.583
336.4759 2741.255
336.9580 2855.498
337.4402 3001.685
337.9223 3139.325
338.4044 3265.669
338.8865 3385.861
339.3686 3494.178
339.8507 3598.611
340.3329 3711.446
340.8150 3840.699
341.2971 3983.022
341.7792 4124.203
342.2613 4254.824
342.7434 4399.299
343.2256 4563.558
343.7077 4739.601
344.1898 4920.695
344.6719 5104.091
345.1540 5288.545
345.6361 5469.898
346.1183 5629.578
346.6004 5824.219
347.0825 6069.720
347.5646 6335.052
348.0467 6602.646
348.5288 6865.907
349.0110 7128.595
349.4931 7390.125
349.9752 7646.873
350.4573 7920.541
350.9394 8241.955
351.4215 8558.306
351.9037 8851.261
352.3858 9118.230
352.8679 9360.942
353.3500 9588.106
353.8321 9798.093
354.3142 9943.890
354.7964 10007.84
355.2785 10019.93
355.7606 9996.041
356.2427 9933.897
356.7248 9829.271
357.2069 9683.994
357.6891 9492.611
358.1712 9230.098
358.6533 8863.938
359.1354 8495.508
359.6175 8169.450
360.0996 7862.909
360.5818 7548.417
361.0639 7211.072
361.5460 6876.061
362.0281 6579.708
362.5102 6323.438
362.9923 6085.140
363.4745 5862.243
363.9566 5651.232
364.4387 5451.438
364.9208 5262.792
365.4029 5085.011
365.8850 4914.200
366.3672 4752.431
366.8493 4607.843
367.3314 4483.287
367.8135 4378.135
368.2956 4294.701
368.7777 4231.395
369.2599 4169.576
369.7420 4098.734
370.2241 4026.413
370.7062 3967.857
371.1883 3926.521
371.6704 3886.897
372.1526 3835.949
372.6347 3773.477
373.1168 3704.632
373.5989 3617.608
374.0810 3534.719
374.5631 3480.333
375.0453 3449.503
375.5274 3409.382
376.0095 3340.254
376.4916 3245.987
376.9737 3146.492
377.4558 3033.884
377.9380 2926.456
378.4201 2831.384
378.9022 2745.086
379.3843 2663.434
379.8664 2584.933
380.3485 2505.898
380.8307 2420.436
381.3128 2324.314
381.7949 2230.112
382.2770 2135.935
382.7591 2045.186
383.2412 1964.155
383.7234 1892.802
384.2055 1823.862
384.6876 1749.103
385.1697 1665.579
385.6518 1587.533
386.1339 1517.668
386.6161 1449.629
387.0982 1377.779
387.5803 1304.557
388.0624 1238.785
388.5445 1187.257
389.0266 1147.930
389.5088 1099.659
389.9909 1031.131
390.4730 966.7175
390.9551 911.8282
391.4372 863.0422
391.9193 815.1270
392.4015 765.2509
392.8836 716.3270
393.3657 674.5081
393.8478 644.4456
394.3299 611.1200
394.8120 565.0322
395.2942 520.1572
395.7763 488.2247
396.2584 470.0248
396.7405 454.0773
397.2226 427.2106
397.7047 389.4448
398.1869 357.3032
398.6690 338.5886
399.1511 317.3767
399.6332 276.4016
400.1153 224.7921
400.5974 188.7335
401.0796 191.5536
401.5617 216.5393
402.0438 226.0071
402.5259 217.0670
403.0080 204.2444
403.4901 195.3781
403.9723 187.4497
404.4544 175.1246
404.9365 153.6671
405.4186 133.9556
405.9007 128.7917
406.3828 135.0304
406.8650 134.1976
407.3471 116.4220
407.8292 93.05078
408.3113 83.50964
408.7934 89.87354
409.2755 96.13220
409.7577 96.41577
410.2398 94.13501
410.7219 95.45691
411.2040 101.4823
411.6861 105.0763
412.1682 98.49036
412.6504 80.12659
413.1325 63.07092
413.6146 44.62329
414.0967 29.77063
414.5788 22.76099
415.0609 21.90820
415.5431 22.30188
416.0252 21.18445
416.5073 18.56409
416.9894 14.34790
417.4715 3.568481
417.9536 2.753906
418.4358 1.544067
418.9179 8.482910
419.4000 8.835083
419.8821 4.2236000E-02
420.3642 12.54224
420.8463 21.00964
421.3285 24.31738
421.8106 26.13672
422.2927 27.07861
422.7748 26.10193
423.2569 20.97913
423.7390 13.05591
424.2212 6.492310
424.7033 4.708984
425.1854 7.026245
425.6675 9.169312
426.1496 10.05176
426.6317 12.71899
427.1139 20.58081
427.5960 29.92139
428.0781 37.01782
428.5602 41.76294
429.0423 40.39368
429.5244 21.28601
430.0066 16.32092
430.4887 36.59338
430.9708 19.30835
431.4529 10.52673
431.9350 24.34436
432.4171 21.49597
432.8993 15.45435
433.3814 8.967041
433.8635 4.446167
434.3456 8.004028
434.8277 21.31494
435.3098 35.58374
435.7920 44.80627
436.2741 48.48425
436.7562 46.37183
437.2383 31.98364
437.7204 17.75342
438.2025 11.17346
438.6847 10.77637
439.1668 12.04883
439.6489 13.04382
440.1310 13.58557
440.6131 13.15002
441.0952 10.59448
441.5774 8.665405
442.0595 10.50073
442.5416 11.24023
443.0237 3.675415
443.5058 11.96216
443.9879 26.12610
444.4701 27.14526
444.9522 12.41382
445.4343 3.128296
445.9164 4.980347
446.3985 6.627319
446.8806 4.304810
447.3628 0.7681880
447.8449 6.477905
448.3270 12.30237
448.8091 16.57935
449.2912 13.84131
449.7733 0.2083740
450.2555 9.570679
450.7376 7.228149
451.2197 2.344727
451.7018 2.837158
452.1839 9.916870
452.6660 16.68567
453.1482 16.30457
453.6303 10.53381
454.1124 7.871704
454.5945 10.27600
455.0766 13.66614
455.5587 12.73083
456.0409 9.621094
456.5230 11.53967
457.0051 27.46191
457.4872 43.50562
457.9693 43.05408
458.4514 29.57056
458.9336 24.55054
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1224.535 39.25562
1225.017 45.92273
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1229.356 29.08795
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1232.249 21.38574
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1233.213 18.07068
1233.695 20.81854
1234.177 15.69226
1234.659 9.390015
1235.141 4.212219
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1243.819 129.3279
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1244.784 80.75317
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1246.230 21.83313
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1252.980 22.10577
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1254.908 24.18732
1255.390 37.30261
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1265.033 2.781860
1265.515 0.2006230
1265.997 1.788635
1266.479 2.532410
1266.961 0.0000000E+00
