#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:15 +0300 (Thu, 24 May 2018) $
#$Revision: 886 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000365.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_1000365
loop_
_publ_author_name
'Novak, G. A.'
'Gibbs, G. V.'
_publ_section_title
;
 The crystal chemistry of the silicate garnets sample An
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_compound_source        R050377
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_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                   12.058
_cell_length_b                   12.058
_cell_length_c                   12.058
_cell_volume                     1753.177
_exptl_crystal_density_diffrn    3.851
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9000239
_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            R050377.rod
_rod_data_source.block           3500000
_rod_database.code               1000365
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 9000239 COD http://www.crystallography.net/cod/9000239.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
147.9668 0.0000000E+00
148.4490 2.2232000E-02
148.9311 3.7080001E-03
149.4132 6.0775999E-02
149.8953 0.1712650
150.3774 0.2562260
150.8595 0.4270630
151.3417 0.5706330
151.8238 0.8404540
152.3059 1.412354
152.7880 2.331497
153.2701 3.442657
153.7522 4.346191
154.2344 4.868347
154.7165 5.341537
155.1986 5.703613
155.6807 6.023392
156.1628 6.367493
156.6449 6.761597
157.1271 7.231430
157.6092 7.890991
158.0913 8.844330
158.5734 9.858749
159.0555 10.90028
159.5376 11.93912
160.0198 12.96977
160.5019 13.94717
160.9840 14.95294
161.4661 16.17470
161.9482 17.65964
162.4303 19.24675
162.9125 20.91635
163.3946 22.65057
163.8767 24.21429
164.3588 25.24574
164.8409 26.09351
165.3230 27.38028
165.8052 29.30392
166.2873 31.76691
166.7694 34.44899
167.2515 37.41202
167.7336 40.24014
168.2157 42.51848
168.6979 44.37874
169.1800 46.08798
169.6621 47.87361
170.1442 49.11267
170.6263 49.52362
171.1084 49.36041
171.5906 48.76044
172.0727 47.15636
172.5548 45.01949
173.0369 42.93207
173.5190 40.98938
174.0011 38.93378
174.4833 37.09230
174.9654 36.16096
175.4475 35.06456
175.9296 33.06209
176.4117 30.52458
176.8938 28.05814
177.3760 25.95009
177.8581 24.15518
178.3402 22.32805
178.8223 20.30865
179.3044 18.52193
179.7865 17.24806
180.2687 16.37500
180.7508 15.55418
181.2329 14.47432
181.7150 13.09541
182.1971 12.00381
182.6792 11.49049
183.1614 10.98305
183.6435 10.04184
184.1256 8.695374
184.6077 7.426926
185.0898 6.719040
185.5719 6.617188
186.0541 6.292206
186.5362 5.486877
187.0183 4.588699
187.5004 3.982346
187.9825 3.717850
188.4646 3.532288
188.9468 3.225189
189.4289 2.806519
189.9110 2.293884
190.3931 1.455673
190.8752 0.5955200
191.3573 0.2568820
191.8395 0.6246800
192.3216 1.108322
192.8037 1.341888
193.2858 1.354630
193.7679 1.161469
194.2500 0.5885160
194.7322 0.2052920
195.2143 0.6676180
195.6964 0.5634770
196.1785 0.4705510
196.6606 0.7355800
197.1427 1.248856
197.6249 1.779541
198.1070 2.236450
198.5891 2.607864
199.0712 2.743851
199.5533 2.407944
200.0354 2.081131
200.5176 1.943344
200.9997 1.964432
201.4818 2.070023
201.9639 2.259445
202.4460 2.543518
202.9281 2.533066
203.4103 1.803436
203.8924 1.151962
204.3745 0.8489530
204.8566 0.8323060
205.3387 0.9185640
205.8208 0.7781980
206.3030 0.6078340
206.7851 0.2896880
207.2672 0.1735690
207.7493 0.7655180
208.2314 1.571594
208.7135 2.523117
209.1957 3.421219
209.6778 4.060776
210.1599 4.373779
210.6420 4.961899
211.1241 6.030350
211.6062 7.130386
212.0884 7.989441
212.5705 8.628296
213.0526 9.289246
213.5347 10.20932
214.0168 11.42914
214.4989 12.51796
214.9811 13.40863
215.4632 14.23895
215.9453 15.08965
216.4274 15.97789
216.9095 16.88898
217.3916 17.79243
217.8737 18.68060
218.3559 19.58264
218.8380 20.51903
219.3201 21.47739
219.8022 22.48247
220.2843 23.53915
220.7664 24.54877
221.2486 25.38260
221.7307 26.10136
222.2128 26.89340
222.6949 27.87317
223.1770 28.86366
223.6591 29.63811
224.1413 30.16017
224.6234 30.71077
225.1055 31.44302
225.5876 32.34636
226.0697 33.45706
226.5518 35.02670
227.0340 36.67615
227.5161 37.76007
227.9982 38.12134
228.4803 38.46497
228.9624 39.36139
229.4445 40.44911
229.9267 41.25513
230.4088 41.52307
230.8909 41.47176
231.3730 41.58250
231.8551 42.06955
232.3372 42.15729
232.8194 41.53073
233.3015 40.37347
233.7836 38.83246
234.2657 36.92677
234.7478 34.74020
235.2299 32.44450
235.7121 29.99010
236.1942 27.50583
236.6763 25.06482
237.1584 22.60815
237.6405 19.96123
238.1227 16.97928
238.6048 13.98911
239.0869 11.88689
239.5690 11.21030
240.0511 10.51227
240.5332 9.494080
241.0154 8.332413
241.4975 7.142517
241.9796 5.961502
242.4617 4.881729
242.9438 4.188644
243.4259 4.228104
243.9081 4.158798
244.3902 3.695480
244.8723 3.156693
245.3544 2.912628
245.8365 3.109390
246.3186 3.518005
246.8008 3.592270
247.2829 2.879974
247.7650 2.469894
248.2471 2.570480
248.7292 2.855377
249.2113 3.048920
249.6935 3.089874
250.1756 3.099976
250.6577 3.290634
251.1398 3.608368
251.6219 4.183075
252.1040 5.181213
252.5862 6.276886
253.0683 7.205261
253.5504 7.916626
254.0325 8.546539
254.5146 9.296051
254.9967 10.26003
255.4789 11.11774
255.9610 11.67798
256.4431 12.24780
256.9252 13.14177
257.4073 14.45219
257.8894 15.98582
258.3716 17.50568
258.8537 19.06065
259.3358 20.36914
259.8179 21.33018
260.3000 22.10143
260.7821 22.90448
261.2643 23.80370
261.7464 24.55740
262.2285 24.91847
262.7106 24.81235
263.1927 24.27287
263.6748 22.91029
264.1570 21.37318
264.6391 20.34247
265.1212 19.86165
265.6033 19.25975
266.0854 17.82466
266.5675 15.49609
267.0497 13.44850
267.5318 11.70766
268.0139 10.26216
268.4960 9.298950
268.9781 8.785904
269.4602 8.106232
269.9424 6.692596
270.4245 4.655228
270.9066 2.952057
271.3887 1.640518
271.8708 0.6411130
272.3529 4.9988002E-02
272.8351 0.1755680
273.3172 0.5136570
273.7993 1.397293
274.2814 2.566299
274.7635 3.215347
275.2456 3.051483
275.7278 2.672180
276.2099 2.421066
276.6920 2.295090
277.1741 2.283478
277.6562 2.432419
278.1383 2.668304
278.6205 2.898758
279.1026 3.289673
279.5847 3.320908
280.0668 2.337769
280.5489 0.5391240
281.0310 0.8259120
281.5132 1.131866
281.9953 0.9727630
282.4774 1.188904
282.9595 1.801636
283.4416 2.631943
283.9237 3.622086
284.4059 4.751465
284.8880 5.968750
285.3701 7.313812
285.8522 8.661667
286.3343 9.703690
286.8164 10.46390
287.2986 11.68771
287.7807 14.13287
288.2628 17.40541
288.7449 20.16074
289.2270 22.06699
289.7091 23.70631
290.1913 25.58673
290.6734 27.63605
291.1555 29.64859
291.6376 31.50134
292.1197 33.23755
292.6018 34.97362
293.0840 36.67972
293.5661 38.44547
294.0482 40.43918
294.5303 42.52031
295.0124 44.44662
295.4945 46.04297
295.9767 47.45523
296.4588 48.95036
296.9409 50.56441
297.4230 52.14339
297.9051 53.55637
298.3872 54.91806
298.8694 56.35077
299.3515 57.85794
299.8336 59.50595
300.3157 61.49869
300.7978 63.93901
301.2799 66.16873
301.7621 67.86023
302.2442 69.25668
302.7263 70.45416
303.2084 71.41235
303.6905 72.52139
304.1726 74.41972
304.6548 77.15694
305.1369 79.36102
305.6190 80.36513
306.1011 80.96895
306.5832 81.70752
307.0653 82.62628
307.5475 83.68777
308.0296 85.09833
308.5117 86.78238
308.9938 87.78384
309.4759 87.57861
309.9580 87.10017
310.4402 87.16109
310.9223 87.57442
311.4044 87.59464
311.8865 86.53845
312.3686 84.65155
312.8507 82.98013
313.3329 81.57402
313.8150 80.33533
314.2971 79.23175
314.7792 78.22165
315.2613 77.21844
315.7434 76.14175
316.2256 75.06625
316.7077 74.10477
317.1898 73.16913
317.6719 72.57809
318.1540 72.90302
318.6361 73.47044
319.1183 73.49115
319.6004 72.62648
320.0825 71.43661
320.5646 70.57532
321.0467 70.02695
321.5288 69.90987
322.0110 70.46927
322.4931 71.38095
322.9752 72.46828
323.4573 73.70544
323.9394 74.98929
324.4215 76.18315
324.9037 77.28610
325.3858 78.52505
325.8679 79.71341
326.3500 81.32901
326.8321 83.76233
327.3142 86.93733
327.7964 90.34064
328.2785 93.75519
328.7606 97.14606
329.2427 100.2614
329.7248 102.6701
330.2069 105.5460
330.6891 109.8216
331.1712 115.0192
331.6533 120.1485
332.1354 124.5432
332.6175 128.7005
333.0996 133.6698
333.5818 139.6393
334.0639 145.9090
334.5460 152.0341
335.0281 158.2786
335.5102 164.9368
335.9923 172.1148
336.4745 179.7462
336.9566 187.9517
337.4387 196.7397
337.9208 205.5435
338.4029 213.9866
338.8850 222.5197
339.3671 231.4699
339.8492 240.8982
340.3314 250.7867
340.8135 261.2913
341.2956 272.3816
341.7777 283.3254
342.2598 293.9272
342.7419 304.4541
343.2241 315.2424
343.7062 326.2448
344.1883 336.9866
344.6704 347.5055
345.1525 357.6035
345.6346 366.7721
346.1168 374.8953
346.5989 382.4568
347.0810 389.7368
347.5631 396.5920
348.0452 402.7614
348.5273 408.3412
349.0095 413.0952
349.4916 416.2566
349.9737 417.7647
350.4558 419.8322
350.9379 423.8914
351.4200 428.9003
351.9022 433.0470
352.3843 435.9305
352.8664 438.7568
353.3485 442.0756
353.8306 445.9377
354.3127 450.5619
354.7949 456.1163
355.2770 462.3587
355.7591 468.9906
356.2412 475.9301
356.7233 483.3127
357.2054 491.6665
357.6876 500.3804
358.1697 508.4050
358.6518 515.5372
359.1339 522.4043
359.6160 529.8603
360.0981 537.6297
360.5803 543.9399
361.0624 548.2380
361.5445 551.2044
362.0266 553.3227
362.5087 554.6125
362.9908 555.0571
363.4730 554.9157
363.9551 553.6350
364.4372 549.8754
364.9193 543.2680
365.4014 535.1430
365.8835 525.8647
366.3657 515.5251
366.8478 504.1943
367.3299 491.9119
367.8120 478.7349
368.2941 464.4928
368.7762 449.0443
369.2584 433.3381
369.7405 417.2558
370.2226 401.1777
370.7047 385.6342
371.1868 370.5665
371.6689 355.5547
372.1511 340.0136
372.6332 323.8954
373.1153 308.6504
373.5974 294.4381
374.0795 280.7093
374.5616 267.0529
375.0438 253.6293
375.5259 240.6530
376.0080 228.3045
376.4901 216.5816
376.9722 205.5845
377.4543 195.5393
377.9365 185.9331
378.4186 176.7992
378.9007 168.0293
379.3828 159.4691
379.8649 151.0974
380.3470 143.2224
380.8292 136.3564
381.3113 130.9221
381.7934 125.1921
382.2755 118.8483
382.7576 112.5172
383.2397 106.6008
383.7219 101.0374
384.2040 95.57779
384.6861 90.01262
385.1682 84.37183
385.6503 79.31038
386.1324 75.60782
386.6146 71.66391
387.0967 67.09067
387.5788 62.19910
388.0609 57.28467
388.5430 52.49536
389.0251 47.94708
389.5073 43.85138
389.9894 40.27707
390.4715 37.03778
390.9536 34.36456
391.4357 31.78145
391.9178 28.87096
392.4000 25.67047
392.8821 22.58525
393.3642 20.00766
393.8463 17.94223
394.3284 16.07448
394.8105 14.46507
395.2927 12.97992
395.7748 11.60562
396.2569 10.31516
396.7390 9.049347
397.2211 7.772171
397.7032 6.520126
398.1854 5.386124
398.6675 4.373291
399.1496 3.456924
399.6317 2.550125
400.1138 1.779358
400.5959 1.339417
401.0781 1.254913
401.5602 1.177811
402.0423 0.8186950
402.5244 0.1906740
403.0065 0.6401520
403.4886 1.905807
403.9708 2.995605
404.4529 3.401657
404.9350 3.306992
405.4171 3.221359
405.8992 3.383774
406.3813 3.662369
406.8635 3.846680
407.3456 3.932434
407.8277 4.045853
408.3098 4.314835
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410.2383 4.421387
410.7204 4.301834
411.2025 4.237885
411.6846 4.303650
412.1667 4.589996
412.6489 4.813217
413.1310 4.520004
413.6131 3.728638
414.0952 3.097580
414.5773 2.912598
415.0594 2.818359
415.5416 2.455948
416.0237 1.834579
416.5058 1.232193
416.9879 0.8577730
417.4700 0.6433870
417.9521 0.2146300
418.4343 0.7739870
418.9164 1.528259
419.3985 1.675049
419.8806 1.502304
420.3627 1.395966
420.8448 1.480392
421.3270 1.729630
421.8091 2.137955
422.2912 2.857178
422.7733 3.270889
423.2554 3.139862
423.7375 2.937042
424.2197 2.916260
424.7018 3.076691
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426.1481 3.771729
426.6302 4.073914
427.1124 4.540787
427.5945 4.961731
428.0766 5.333588
428.5587 5.638321
429.0408 5.816345
429.5229 5.864670
430.0051 5.914703
430.4872 6.212921
430.9693 6.888153
431.4514 7.275375
431.9335 6.804947
432.4156 6.539383
432.8978 7.046112
433.3799 8.119888
433.8620 9.195160
434.3441 9.928696
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435.3083 10.91473
435.7905 11.47292
436.2726 11.94009
436.7547 12.18991
437.2368 12.36369
437.7189 12.51607
438.2010 12.64088
438.6832 12.97105
439.1653 13.84520
439.6474 15.14688
440.1295 16.24751
440.6116 17.00673
441.0938 17.63026
441.5759 18.21594
442.0580 18.79437
442.5401 19.48416
443.0222 20.47879
443.5043 21.48625
443.9865 22.06947
444.4686 22.29883
444.9507 22.89813
445.4328 24.40407
445.9149 26.28416
446.3970 27.27428
446.8792 27.16455
447.3613 26.97760
447.8434 26.98428
448.3255 27.06624
448.8076 27.12221
449.2897 27.12372
449.7719 26.99271
450.2540 26.65695
450.7361 26.10797
451.2182 25.40068
451.7003 24.53293
452.1824 23.53905
452.6646 22.27888
453.1467 20.92764
453.6288 19.82509
454.1109 19.11737
454.5930 18.57982
455.0751 17.72118
455.5573 16.17036
456.0394 15.03595
456.5215 14.68567
457.0036 14.36774
457.4857 13.46986
457.9678 12.15340
458.4500 11.10518
458.9321 10.94801
459.4142 11.46365
459.8963 11.29437
460.3784 9.884399
460.8605 8.711761
461.3427 8.258133
461.8248 8.102020
462.3069 7.927200
462.7890 7.673065
463.2711 7.295792
463.7532 6.588440
464.2354 5.586761
464.7175 5.016785
465.1996 5.173584
465.6817 5.454437
466.1638 5.381592
466.6459 5.080719
467.1281 4.892548
467.6102 5.065262
468.0923 5.301361
468.5744 5.119766
469.0565 4.587433
469.5386 4.442490
470.0208 5.065842
470.5029 6.088196
470.9850 6.917252
471.4671 7.596741
471.9492 8.159225
472.4313 8.489059
472.9135 8.735077
473.3956 9.076218
473.8777 9.542282
474.3598 10.06158
474.8419 10.54573
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