#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:37 +0300 (Thu, 24 May 2018) $
#$Revision: 723 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000228.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_1000228
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        R060350
_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 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            R060350.rod
_rod_data_source.block           3500000
_rod_database.code               1000228
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
141.2853 0.0000000E+00
141.7674 6.4699999E-03
142.2495 0.8813780
142.7316 1.490395
143.2137 0.7996220
143.6959 0.1099320
144.1780 0.1189730
144.6601 1.350227
145.1422 2.167458
145.6243 1.907761
146.1064 0.9660260
146.5886 0.9236150
147.0707 2.479424
147.5528 4.113655
148.0349 4.942444
148.5170 4.172379
148.9991 3.883064
149.4813 4.505997
149.9634 5.899635
150.4455 6.639420
150.9276 5.833458
151.4097 4.983665
151.8918 5.008286
152.3740 7.032730
152.8561 8.631180
153.3382 9.326225
153.8203 9.142693
154.3024 9.376724
154.7845 10.60054
155.2667 12.00584
155.7488 13.00953
156.2309 13.10019
156.7130 13.19971
157.1951 13.49300
157.6772 13.99766
158.1594 14.62901
158.6415 15.29341
159.1236 16.03925
159.6057 16.92525
160.0878 17.92831
160.5699 19.08507
161.0521 20.47176
161.5342 22.11052
162.0163 23.73640
162.4984 25.30776
162.9805 26.80275
163.4626 28.19264
163.9448 29.61832
164.4269 30.82610
164.9090 31.66454
165.3911 32.08528
165.8732 32.35132
166.3553 32.41217
166.8375 32.42406
167.3196 32.64539
167.8017 33.80431
168.2838 34.83406
168.7659 34.75004
169.2480 33.13560
169.7302 31.61328
170.2123 31.77580
170.6944 32.87654
171.1765 33.27269
171.6586 31.42045
172.1407 28.86601
172.6229 27.17526
173.1050 26.95592
173.5871 27.07135
174.0692 26.68755
174.5513 25.94421
175.0334 24.74177
175.5156 23.78605
175.9977 23.13850
176.4798 22.63366
176.9619 22.34512
177.4440 21.93965
177.9261 20.84867
178.4083 19.23308
178.8904 17.80098
179.3725 17.15974
179.8546 17.01743
180.3367 16.83559
180.8188 16.50691
181.3010 16.11407
181.7831 15.79446
182.2652 15.53442
182.7473 15.21304
183.2294 14.66315
183.7115 13.97540
184.1937 13.42589
184.6758 13.12008
185.1579 12.90763
185.6400 12.53230
186.1221 11.99879
186.6042 11.37912
187.0864 10.68967
187.5685 9.949226
188.0506 9.236107
188.5327 8.482018
189.0148 7.834595
189.4969 7.765961
189.9791 8.306549
190.4612 8.767952
190.9433 8.491188
191.4254 7.557793
191.9075 6.617882
192.3896 5.748055
192.8718 5.013428
193.3539 4.676636
193.8360 4.781982
194.3181 4.923874
194.8002 4.670151
195.2823 4.031494
195.7645 3.539337
196.2466 3.406609
196.7287 3.490913
197.2108 3.117867
197.6929 2.182587
198.1750 1.257675
198.6572 0.9704670
199.1393 1.328072
199.6214 1.591713
200.1035 1.576561
200.5856 1.312729
201.0677 0.9347080
201.5499 0.3837970
202.0320 0.1051410
202.5141 0.2352450
202.9962 4.9109999E-02
203.4783 0.2416310
203.9604 0.2268140
204.4426 2.2034001E-02
204.9247 0.2164690
205.4068 0.4418180
205.8889 0.8038710
206.3710 1.680161
206.8531 3.319748
207.3353 4.158081
207.8174 3.611763
208.2995 1.805183
208.7816 0.4281010
209.2637 0.4190060
209.7458 1.005844
210.2280 1.617706
210.7101 2.313553
211.1922 2.792282
211.6743 2.864487
212.1564 2.553329
212.6385 2.713608
213.1207 3.492737
213.6028 4.539383
214.0849 5.514725
214.5670 6.393005
215.0491 6.961441
215.5313 7.063217
216.0134 6.736771
216.4955 7.003616
216.9776 8.078186
217.4597 9.417160
217.9418 10.53903
218.4239 11.47714
218.9061 12.06291
219.3882 12.09026
219.8703 11.53407
220.3524 11.42174
220.8345 11.89368
221.3166 12.69983
221.7988 13.67938
222.2809 15.09276
222.7630 16.02768
223.2451 16.05193
223.7272 15.11060
224.2093 14.79504
224.6915 15.40985
225.1736 16.44423
225.6557 17.36247
226.1378 18.25317
226.6199 18.69508
227.1020 18.50676
227.5842 17.70723
228.0663 17.16435
228.5484 16.87970
229.0305 16.84529
229.5126 17.13318
229.9947 18.09607
230.4769 18.65472
230.9590 18.56546
231.4411 17.82613
231.9232 16.93280
232.4053 15.57072
232.8874 14.38057
233.3696 14.05431
233.8517 15.36967
234.3338 15.99397
234.8159 15.28671
235.2980 13.28198
235.7801 11.98637
236.2623 11.74077
236.7444 11.83586
237.2265 11.70695
237.7086 11.30833
238.1907 10.75978
238.6728 9.940903
239.1550 8.892075
239.6371 8.353012
240.1192 8.611801
240.6013 9.054840
241.0834 9.198212
241.5655 8.913345
242.0477 8.563248
242.5298 8.117996
243.0119 7.606003
243.4940 7.357574
243.9761 7.535339
244.4582 7.781158
244.9404 7.826813
245.4225 7.535629
245.9046 7.325089
246.3867 7.292343
246.8688 7.395142
247.3509 7.312866
247.8331 6.877228
248.3152 6.473236
248.7973 6.366699
249.2794 6.717224
249.7615 7.040604
250.2436 7.333664
250.7258 7.576309
251.2079 7.615799
251.6900 7.245285
252.1721 6.967590
252.6542 7.168381
253.1363 8.291489
253.6185 8.800797
254.1006 8.333420
254.5827 7.213943
255.0648 6.625916
255.5469 6.791336
256.0291 7.137863
256.5112 7.367493
256.9933 7.409729
257.4754 7.556732
257.9575 7.923340
258.4396 8.370880
258.9218 8.460083
259.4039 8.040451
259.8860 7.505569
260.3681 7.026260
260.8502 6.578842
261.3323 6.376404
261.8145 6.563065
262.2966 6.882523
262.7787 6.751465
263.2608 5.960846
263.7429 5.145462
264.2250 4.475845
264.7072 3.842010
265.1893 3.699799
265.6714 4.457687
266.1535 5.570358
266.6356 5.794235
267.1177 4.723129
267.5999 3.700546
268.0820 3.313263
268.5641 3.693954
269.0462 3.672989
269.5283 3.212723
270.0104 2.402954
270.4926 1.211823
270.9747 0.6085210
271.4568 1.939987
271.9389 2.248962
272.4210 1.494476
272.9031 1.213394
273.3853 1.534653
273.8674 2.090897
274.3495 2.431442
274.8316 2.530334
275.3137 2.567032
275.7958 2.616699
276.2780 2.666565
276.7601 2.458328
277.2422 1.895477
277.7243 1.328827
278.2064 1.161865
278.6885 1.439758
279.1707 1.757751
279.6528 2.114044
280.1349 2.435150
280.6170 2.187027
281.0991 1.211426
281.5812 0.2926180
282.0634 0.3481600
282.5455 1.410019
283.0276 1.967209
283.5097 1.639435
283.9918 0.6720430
284.4739 0.1969600
284.9561 0.9584660
285.4382 1.696167
285.9203 2.475311
286.4024 3.285095
286.8845 4.091141
287.3666 4.872559
287.8488 5.647110
288.3309 6.482758
288.8130 7.381119
289.2951 8.194061
289.7772 8.717957
290.2593 9.022293
290.7415 9.581512
291.2236 10.47404
291.7057 11.53879
292.1878 12.54436
292.6699 13.49391
293.1520 14.41580
293.6342 15.25267
294.1163 16.06837
294.5984 17.00995
295.0805 18.08195
295.5626 19.34355
296.0447 20.98772
296.5269 22.94672
297.0090 24.89833
297.4911 26.74622
297.9732 28.46350
298.4553 29.88783
298.9374 30.99141
299.4196 32.02618
299.9017 33.21956
300.3838 34.53171
300.8659 35.84453
301.3480 36.94270
301.8301 38.08554
302.3123 39.69708
302.7944 41.78041
303.2765 44.02466
303.7586 46.21742
304.2407 48.40166
304.7228 50.74902
305.2050 53.59276
305.6871 56.32396
306.1692 57.88478
306.6513 58.51105
307.1334 59.41411
307.6155 61.77287
308.0977 64.77364
308.5798 67.37941
309.0619 69.29434
309.5440 70.91348
310.0261 72.40314
310.5082 73.83231
310.9904 75.40361
311.4725 77.26147
311.9546 79.30873
312.4367 81.58865
312.9188 84.28989
313.4009 86.61519
313.8831 87.81271
314.3652 88.27769
314.8473 88.78233
315.3294 89.34923
315.8115 90.28517
316.2936 92.01466
316.7758 94.74463
317.2579 97.09625
317.7400 98.10400
318.2221 98.50867
318.7042 99.27531
319.1863 101.2128
319.6685 103.1230
320.1506 104.3240
320.6327 104.7766
321.1148 105.6768
321.5969 107.8415
322.0790 110.3604
322.5612 112.5217
323.0433 113.6918
323.5254 114.9648
324.0075 116.4941
324.4896 118.3037
324.9717 120.4782
325.4539 123.2931
325.9360 126.3228
326.4181 129.2997
326.9002 132.1785
327.3823 135.0628
327.8644 137.8821
328.3466 140.7010
328.8287 143.6713
329.3108 147.1867
329.7929 150.5487
330.2750 153.3793
330.7571 155.0531
331.2393 157.6091
331.7214 161.7193
332.2035 166.4703
332.6856 170.3042
333.1677 172.7124
333.6498 174.9821
334.1320 177.4476
334.6141 180.0933
335.0962 182.8138
335.5783 185.6106
336.0604 188.4601
336.5425 191.4226
337.0247 194.6598
337.5068 197.6491
337.9889 200.4786
338.4710 203.0807
338.9531 204.5108
339.4352 204.2139
339.9173 203.9663
340.3994 205.3956
340.8816 208.9175
341.3637 211.7052
341.8458 213.3291
342.3279 214.1354
342.8100 215.0250
343.2921 215.9555
343.7743 217.2072
344.2564 219.2176
344.7385 221.9308
345.2206 223.7956
345.7027 224.5752
346.1848 224.9269
346.6670 225.8146
347.1491 227.2166
347.6312 228.8181
348.1133 230.4775
348.5954 232.2554
349.0775 234.2707
349.5597 236.4928
350.0418 238.9947
350.5239 242.3132
351.0060 246.1612
351.4881 249.3428
351.9702 251.1131
352.4524 252.2162
352.9345 253.8197
353.4166 255.8617
353.8987 257.7866
354.3808 258.8557
354.8629 259.6132
355.3451 261.1036
355.8272 264.2098
356.3093 266.7834
356.7914 266.1516
357.2735 263.2946
357.7556 260.9170
358.2378 261.1983
358.7199 262.1719
359.2020 262.2394
359.6841 261.1898
360.1662 259.6153
360.6483 257.5013
361.1305 255.0303
361.6126 252.5708
362.0947 250.5389
362.5768 248.3855
363.0589 245.9843
363.5410 243.3184
364.0232 240.0074
364.5053 235.5142
364.9874 230.5566
365.4695 225.6920
365.9516 220.9192
366.4337 216.3785
366.9159 212.0966
367.3980 208.0485
367.8801 204.1170
368.3622 201.0456
368.8443 197.5257
369.3264 192.9126
369.8086 186.2471
370.2907 180.1167
370.7728 174.5410
371.2549 169.4951
371.7370 165.0118
372.2191 161.4234
372.7013 157.9361
373.1834 154.5204
373.6655 151.2389
374.1476 147.1421
374.6297 141.8332
375.1118 136.3291
375.5940 131.6615
376.0761 128.1221
376.5582 124.6561
377.0403 121.1210
377.5224 117.5442
378.0045 113.7475
378.4867 109.6671
378.9688 105.8778
379.4509 102.9907
379.9330 101.0557
380.4151 98.55066
380.8972 95.29138
381.3794 91.60492
381.8615 88.06126
382.3436 84.61102
382.8257 81.26721
383.3078 78.01389
383.7899 74.83453
384.2721 71.38187
384.7542 67.61588
385.2363 64.21744
385.7184 62.26999
386.2005 61.26527
386.6826 59.62843
387.1648 56.55215
387.6469 52.99750
388.1290 50.11728
388.6111 47.84343
389.0932 45.71078
389.5753 43.55699
390.0575 41.30089
390.5396 38.74139
391.0217 35.69380
391.5038 32.72932
391.9859 30.30176
392.4680 28.23705
392.9502 26.17821
393.4323 23.76926
393.9144 21.49345
394.3965 19.71150
394.8786 18.45467
395.3607 17.30904
395.8429 16.11351
396.3250 14.97226
396.8071 13.95302
397.2892 13.33592
397.7713 12.52271
398.2534 11.22102
398.7356 9.592377
399.2177 8.323746
399.6998 7.668930
400.1819 7.158142
400.6640 6.657745
401.1461 6.312790
401.6283 5.720779
402.1104 4.619431
402.5925 3.354202
403.0746 2.467331
403.5567 2.197205
404.0388 1.898483
404.5210 1.415146
405.0031 0.7450710
405.4852 3.6651999E-02
405.9673 0.8524630
406.4494 1.565613
406.9315 1.636795
407.4137 0.8995970
407.8958 0.7099000
408.3779 1.434586
408.8600 2.632339
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409.8242 3.083054
410.3064 2.750366
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411.2706 2.028625
411.7527 1.566940
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414.6454 0.8705750
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416.5739 0.5387570
417.0560 1.155380
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418.5023 0.7056430
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419.9487 0.3605040
420.4308 0.1657710
420.9129 0.2377470
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421.8772 0.9613950
422.3593 1.648270
422.8414 2.284119
423.3235 2.973724
423.8056 3.485428
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425.2520 2.144043
425.7341 2.543060
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428.1447 5.134460
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429.5910 5.682419
430.0732 5.886444
430.5553 6.389587
431.0374 7.250198
431.5195 8.195877
432.0016 9.274323
432.4837 10.37894
432.9659 10.91821
433.4480 10.80353
433.9301 10.67451
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434.8943 11.79256
435.3764 12.55774
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436.3407 13.96869
436.8228 14.53941
437.3049 14.99866
437.7870 15.28992
438.2691 15.20618
438.7513 15.02652
439.2334 15.23596
439.7155 15.80959
440.1976 16.30400
440.6797 16.34668
441.1618 16.14783
441.6440 15.97415
442.1261 15.97845
442.6082 15.86427
443.0903 15.34937
443.5724 14.58984
444.0545 13.92344
444.5367 13.56338
445.0188 13.24976
445.5009 12.91373
445.9830 12.57877
446.4651 11.98340
446.9472 10.79625
447.4294 9.469101
447.9115 8.397751
448.3936 7.860092
448.8757 7.246246
449.3578 6.429359
449.8399 5.512215
450.3221 4.813339
450.8042 4.548828
451.2863 4.156502
451.7684 3.342064
452.2505 2.002296
452.7326 0.8952410
453.2148 3.2515999E-02
453.6969 0.5975190
454.1790 0.8710560
454.6611 0.7602230
455.1432 0.8939290
455.6253 1.571861
456.1075 2.465027
456.5896 2.550217
457.0717 1.849380
457.5538 1.158691
458.0359 1.136177
458.5180 1.499138
459.0002 1.568573
459.4823 1.257309
459.9644 0.8512950
460.4465 0.5566250
460.9286 0.3763580
461.4107 0.3228840
461.8929 0.5687940
462.3750 0.7953190
462.8571 0.8099820
463.3392 0.6144640
463.8213 0.2302550
464.3034 0.5827260
464.7856 1.435875
465.2677 2.037262
465.7498 2.132057
466.2319 2.395035
466.7140 3.032959
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