#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:33 +0300 (Thu, 24 May 2018) $
#$Revision: 722 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000227.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_1000227
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        R060326
_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            R060326.rod
_rod_data_source.block           3500000
_rod_database.code               1000227
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
130.6787 0.0000000E+00
131.1608 6.1347999E-02
131.6429 0.1636510
132.1251 0.5385820
132.6072 0.6932680
133.0893 0.6343690
133.5714 0.5398180
134.0535 0.3448490
134.5356 0.2492830
135.0178 0.5824580
135.4999 1.340225
135.9820 2.078606
136.4641 2.585548
136.9462 2.870163
137.4283 3.299606
137.9105 3.887749
138.3926 4.596069
138.8747 5.370140
139.3568 6.236687
139.8389 7.092117
140.3210 7.836868
140.8032 8.407890
141.2853 9.251122
141.7674 10.43452
142.2495 11.84238
142.7316 13.10208
143.2137 13.86427
143.6959 14.06063
144.1780 14.19231
144.6601 14.15944
145.1422 14.33958
145.6243 14.83472
146.1064 15.54633
146.5886 16.11905
147.0707 16.43053
147.5528 16.74452
148.0349 17.20467
148.5170 17.96964
148.9991 18.63152
149.4813 19.11120
149.9634 19.44294
150.4455 19.83569
150.9276 20.39930
151.4097 20.92994
151.8918 21.28989
152.3740 21.01759
152.8561 21.09879
153.3382 21.73491
153.8203 22.90556
154.3024 24.04318
154.7845 25.09016
155.2667 26.08647
155.7488 27.08029
156.2309 28.24476
156.7130 29.21745
157.1951 29.80402
157.6772 29.97626
158.1594 30.33113
158.6415 31.20679
159.1236 32.23386
159.6057 33.05508
160.0878 33.23677
160.5699 33.49324
161.0521 34.15591
161.5342 35.29833
162.0163 36.35559
162.4984 36.93334
162.9805 37.36204
163.4626 38.05819
163.9448 39.62046
164.4269 41.14183
164.9090 42.10213
165.3911 42.31198
165.8732 42.53874
166.3553 43.37474
166.8375 44.75842
167.3196 46.47818
167.8017 48.60965
168.2838 51.12038
168.7659 53.94176
169.2480 56.98039
169.7302 60.31667
170.2123 64.05714
170.6944 68.07017
171.1765 72.21388
171.6586 77.19810
172.1407 82.02464
172.6229 85.86510
173.1050 88.64507
173.5871 90.29705
174.0692 90.93417
174.5513 90.44003
175.0334 88.41820
175.5156 84.23013
175.9977 78.45232
176.4798 71.85454
176.9619 64.18109
177.4440 56.36713
177.9261 49.26460
178.4083 42.87318
178.8904 37.34026
179.3725 33.13188
179.8546 29.82698
180.3367 26.70185
180.8188 23.57182
181.3010 20.66726
181.7831 18.35162
182.2652 16.60918
182.7473 15.16586
183.2294 13.93607
183.7115 12.86833
184.1937 11.84412
184.6758 10.78849
185.1579 9.812653
185.6400 9.161873
186.1221 8.826424
186.6042 8.455818
187.0864 7.686699
187.5685 6.615891
188.0506 5.702194
188.5327 5.007492
189.0148 4.512939
189.4969 4.076241
189.9791 3.706779
190.4612 3.378387
190.9433 3.120880
191.4254 2.925980
191.9075 2.593185
192.3896 1.900154
192.8718 1.018158
193.3539 0.6218190
193.8360 0.7969210
194.3181 1.133331
194.8002 1.175880
195.2823 0.9137120
195.7645 0.7811740
196.2466 0.9600750
196.7287 1.329681
197.2108 1.384201
197.6929 1.085487
198.1750 0.6347050
198.6572 0.1289980
199.1393 0.4407650
199.6214 0.7016830
200.1035 0.4407120
200.5856 0.2088320
201.0677 0.4162900
201.5499 9.1232002E-02
202.0320 0.3594670
202.5141 0.5337450
202.9962 0.4020540
203.4783 0.2117080
203.9604 3.8612001E-02
204.4426 0.3206250
204.9247 0.3515400
205.4068 7.6674998E-02
205.8889 0.3070980
206.3710 0.6291960
206.8531 0.8940430
207.3353 1.068550
207.8174 1.139015
208.2995 1.108429
208.7816 1.024590
209.2637 0.9041370
209.7458 0.7036740
210.2280 0.3252560
210.7101 0.3212810
211.1922 0.7949830
211.6743 0.8965840
212.1564 0.6467970
212.6385 0.7896120
213.1207 1.428795
213.6028 2.284470
214.0849 3.089684
214.5670 3.834038
215.0491 4.528587
215.5313 5.156059
216.0134 5.720444
216.4955 6.296104
216.9776 6.783417
217.4597 7.425087
217.9418 8.562035
218.4239 10.43401
218.9061 12.17764
219.3882 13.55038
219.8703 14.52264
220.3524 15.69466
220.8345 17.27254
221.3166 18.81113
221.7988 19.75981
222.2809 19.68371
222.7630 19.94961
223.2451 20.86109
223.7272 22.43401
224.2093 24.20433
224.6915 26.33620
225.1736 28.51759
225.6557 30.33353
226.1378 31.53905
226.6199 32.98032
227.1020 34.84753
227.5842 37.16248
228.0663 39.49082
228.5484 41.89052
229.0305 44.27499
229.5126 46.53291
229.9947 48.47433
230.4769 50.65335
230.9590 53.13366
231.4411 55.90518
231.9232 59.18240
232.4053 63.11296
232.8874 67.43682
233.3696 71.94519
233.8517 76.61696
234.3338 81.57584
234.8159 87.26698
235.2980 93.69012
235.7801 98.30126
236.2623 101.1224
236.7444 102.1199
237.2265 101.3601
237.7086 99.31243
238.1907 94.49055
238.6728 85.77859
239.1550 73.46127
239.6371 62.43375
240.1192 52.95049
240.6013 44.46437
241.0834 36.57169
241.5655 29.00301
242.0477 22.73588
242.5298 18.11213
243.0119 15.01527
243.4940 12.26840
243.9761 9.840645
244.4582 7.797287
244.9404 6.238251
245.4225 5.441940
245.9046 4.554268
246.3867 3.399452
246.8688 2.046379
247.3509 0.9876860
247.8331 0.3611370
248.3152 0.1476670
248.7973 0.7985920
249.2794 1.925163
249.7615 2.444595
250.2436 1.989212
250.7258 0.8301390
251.2079 0.2997130
251.6900 0.7427900
252.1721 1.321655
252.6542 1.547997
253.1363 1.279121
253.6185 0.9884800
254.1006 0.6988300
254.5827 0.4083100
255.0648 0.1042710
255.5469 0.2523270
256.0291 0.5544820
256.5112 0.7108310
256.9933 0.5805890
257.4754 0.5849530
257.9575 0.7236860
258.4396 1.068443
258.9218 1.763908
259.4039 2.962425
259.8860 4.190498
260.3681 5.261673
260.8502 6.151924
261.3323 7.000954
261.8145 7.667542
262.2966 8.376007
262.7787 9.724442
263.2608 12.06207
263.7429 14.25463
264.2250 15.86637
264.7072 16.80441
265.1893 17.51171
265.6714 18.12209
266.1535 18.38557
266.6356 17.74463
267.1177 15.90384
267.5999 13.93610
268.0820 12.28188
268.5641 11.01283
269.0462 9.448921
269.5283 7.377106
270.0104 5.231529
270.4926 3.629898
270.9747 2.635651
271.4568 1.925636
271.9389 1.427673
272.4210 1.143234
272.9031 1.016647
273.3853 1.122116
273.8674 1.256531
274.3495 1.156311
274.8316 0.7940600
275.3137 0.3335720
275.7958 0.2478330
276.2780 0.9261780
276.7601 1.353149
277.2422 1.467140
277.7243 1.494667
278.2064 1.716042
278.6885 2.171448
279.1707 2.473061
279.6528 2.502007
280.1349 2.304390
280.6170 2.108704
281.0991 1.912529
281.5812 1.719986
282.0634 1.543060
282.5455 1.377365
283.0276 1.210533
283.5097 1.069374
283.9918 0.9058460
284.4739 0.5042650
284.9561 0.1745000
285.4382 0.8066480
285.9203 1.038506
286.4024 0.9027860
286.8845 1.009293
287.3666 1.437935
287.8488 2.152786
288.3309 3.220703
288.8130 4.652351
289.2951 5.942650
289.7772 6.585808
290.2593 6.719513
290.7415 7.217293
291.2236 8.195442
291.7057 9.467171
292.1878 10.78017
292.6699 12.13358
293.1520 13.51377
293.6342 14.84248
294.1163 16.18480
294.5984 17.77030
295.0805 19.68295
295.5626 21.59332
296.0447 23.12733
296.5269 24.32231
297.0090 25.36142
297.4911 26.19067
297.9732 26.94054
298.4553 28.02022
298.9374 29.47644
299.4196 30.71494
299.9017 30.84538
300.3838 30.22243
300.8659 29.80524
301.3480 29.88437
301.8301 30.43074
302.3123 31.57531
302.7944 33.30687
303.2765 35.04505
303.7586 36.03051
304.2407 36.73618
304.7228 38.05907
305.2050 40.40065
305.6871 43.32031
306.1692 46.38429
306.6513 49.60555
307.1334 52.83598
307.6155 56.03357
308.0977 59.32828
308.5798 62.88950
309.0619 66.87069
309.5440 70.82327
310.0261 74.45934
310.5082 77.83430
310.9904 81.06797
311.4725 84.59483
311.9546 87.83340
312.4367 90.41854
312.9188 92.46653
313.4009 93.29115
313.8831 92.32465
314.3652 89.81396
314.8473 86.23650
315.3294 80.90237
315.8115 75.18738
316.2936 69.82483
316.7758 64.87174
317.2579 60.38535
317.7400 56.20267
318.2221 52.53262
318.7042 49.54744
319.1863 47.24890
319.6685 45.69865
320.1506 45.10883
320.6327 45.49229
321.1148 46.03400
321.5969 46.40248
322.0790 46.86788
322.5612 47.66582
323.0433 49.13977
323.5254 50.63622
324.0075 51.93619
324.4896 53.08984
324.9717 54.44374
325.4539 56.44293
325.9360 58.40957
326.4181 59.95166
326.9002 61.22098
327.3823 61.85191
327.8644 61.42564
328.3466 60.28872
328.8287 59.49957
329.3108 58.86574
329.7929 58.77779
330.2750 59.41774
330.7571 61.08009
331.2393 62.78479
331.7214 64.11021
332.2035 65.64330
332.6856 68.32979
333.1677 72.70714
333.6498 77.47582
334.1320 82.36690
334.6141 87.30299
335.0962 92.27237
335.5783 97.06509
336.0604 102.1087
336.5425 108.0155
337.0247 115.2178
337.5068 122.2572
337.9889 128.8150
338.4710 134.9722
338.9531 141.6638
339.4352 149.0180
339.9173 156.7365
340.3994 164.4105
340.8816 172.0025
341.3637 180.2316
341.8458 189.3676
342.3279 199.1128
342.8100 208.9279
343.2921 218.5420
343.7743 229.4188
344.2564 242.5257
344.7385 257.8840
345.2206 273.5935
345.7027 289.6699
346.1848 306.2058
346.6670 322.9779
347.1491 340.0839
347.6312 358.9608
348.1133 381.1184
348.5954 405.6834
349.0775 430.1225
349.5597 454.6566
350.0418 479.0596
350.5239 503.8154
351.0060 528.4332
351.4881 550.3829
351.9702 569.3953
352.4524 584.9251
352.9345 595.7242
353.4166 601.8807
353.8987 604.1834
354.3808 603.1113
354.8629 598.6672
355.3451 590.2687
355.8272 576.5002
356.3093 561.2937
356.7914 547.3488
357.2735 534.6464
357.7556 523.4716
358.2378 513.3503
358.7199 505.3590
359.2020 500.1701
359.6841 497.6844
360.1662 498.7491
360.6483 503.9323
361.1305 512.9257
361.6126 525.3260
362.0947 541.5899
362.5768 560.7918
363.0589 582.6390
363.5410 607.0792
364.0232 634.1927
364.5053 664.9885
364.9874 697.9688
365.4695 731.9642
365.9516 767.6594
366.4337 803.3439
366.9159 840.7818
367.3980 878.7295
367.8801 912.2029
368.3622 943.4259
368.8443 967.2812
369.3264 981.6541
369.8086 986.4279
370.2907 981.6722
370.7728 967.1033
371.2549 943.0552
371.7370 909.8708
372.2191 863.7580
372.7013 813.4659
373.1834 760.8346
373.6655 705.2591
374.1476 650.2261
374.6297 595.8231
375.1118 543.4397
375.5940 494.5161
376.0761 449.4503
376.5582 408.0917
377.0403 370.2630
377.5224 336.2642
378.0045 305.9780
378.4867 280.1380
378.9688 257.3614
379.4509 237.1772
379.9330 219.7699
380.4151 203.8035
380.8972 189.3097
381.3794 176.2452
381.8615 165.0916
382.3436 155.6880
382.8257 147.2132
383.3078 139.2171
383.7899 131.7539
384.2721 124.7673
384.7542 118.3025
385.2363 112.2149
385.7184 106.4738
386.2005 101.0186
386.6826 95.31748
387.1648 89.10287
387.6469 82.78802
388.1290 76.77364
388.6111 71.06883
389.0932 65.58598
389.5753 60.05315
390.0575 54.75886
390.5396 49.96881
391.0217 45.72658
391.5038 41.85524
391.9859 38.24673
392.4680 34.92181
392.9502 31.86453
393.4323 29.07462
393.9144 26.57159
394.3965 24.47177
394.8786 22.78156
395.3607 21.14362
395.8429 19.35514
396.3250 17.57847
396.8071 15.95139
397.2892 14.50802
397.7713 13.20703
398.2534 12.08926
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399.6998 9.369720
400.1819 8.554947
400.6640 7.765778
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403.0746 3.565765
403.5567 4.584229
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405.0031 2.729836
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408.3779 0.4550090
408.8600 2.0493001E-02
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410.3064 0.1117630
410.7885 1.1060000E-03
411.2706 0.1131740
411.7527 0.2855070
412.2348 1.311165
412.7169 2.295166
413.1991 2.328819
413.6812 1.640686
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416.5739 1.906410
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417.5381 1.652100
418.0202 1.256416
418.5023 0.7017210
418.9845 0.3483200
419.4666 0.6451340
419.9487 1.290848
420.4308 1.711380
420.9129 1.503189
421.3951 1.168671
421.8772 0.9480440
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422.8414 0.7800670
423.3235 0.5349660
423.8056 0.3184590
424.2878 0.2809520
424.7699 0.8498690
425.2520 1.127472
425.7341 0.6417470
426.2162 0.2875750
426.6983 0.4755550
427.1805 0.8218990
427.6626 2.006493
428.1447 2.422279
428.6268 1.801765
429.1089 1.392433
429.5910 1.301857
430.0732 1.305466
430.5553 1.131088
431.0374 0.7656170
431.5195 0.2437590
432.0016 0.5775600
432.4837 1.534134
432.9659 1.729378
433.4480 1.045792
433.9301 0.3355030
434.4122 0.2684710
434.8943 0.7557750
435.3764 1.179306
435.8586 1.489372
436.3407 1.688393
436.8228 1.645996
437.3049 1.450363
437.7870 1.474998
438.2691 2.026291
438.7513 2.834175
439.2334 3.617241
439.7155 4.363388
440.1976 4.876923
440.6797 4.871651
441.1618 4.608452
441.6440 4.398750
442.1261 4.340942
442.6082 4.314812
443.0903 4.104187
443.5724 3.874458
444.0545 3.982811
444.5367 4.859764
445.0188 5.854111
445.5009 6.685265
445.9830 7.309715
446.4651 7.859085
446.9472 8.240456
447.4294 8.616852
447.9115 9.120163
448.3936 9.866302
448.8757 10.61029
449.3578 11.35241
449.8399 12.07577
450.3221 12.76657
450.8042 13.40190
451.2863 14.04878
451.7684 14.78320
452.2505 15.66037
452.7326 16.30549
453.2148 16.73746
453.6969 16.89819
454.1790 16.63456
454.6611 15.92348
455.1432 15.24158
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