#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:51 +0300 (Thu, 24 May 2018) $
#$Revision: 793 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000288.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_1000288
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        R100138
_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            R100138.rod
_rod_data_source.block           3500000
_rod_database.code               1000288
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
91.03516 0.0000000E+00
91.51727 0.3111320
91.99939 0.4040460
92.48151 0.3224850
92.96362 0.2436780
93.44574 0.1284050
93.92786 3.0771000E-02
94.40997 2.4061000E-02
94.89210 1.8060000E-03
95.37421 6.6575997E-02
95.85633 0.1363530
96.33845 0.2104140
96.82056 0.3131630
97.30268 0.4827680
97.78480 0.7073880
98.26691 0.8645520
98.74903 0.9196240
99.23115 0.9057700
99.71326 0.9617280
100.1954 1.090882
100.6775 1.268464
101.1596 1.531347
101.6417 1.936510
102.1239 2.200238
102.6060 2.225904
103.0881 2.012762
103.5702 1.924234
104.0523 2.028318
104.5344 2.126651
105.0166 2.081878
105.4987 1.739522
105.9808 1.466271
106.4629 1.400374
106.9450 1.568048
107.4271 1.670925
107.9093 1.660247
108.3914 1.596393
108.8735 1.653640
109.3556 2.107575
109.8377 2.419128
110.3198 2.432588
110.8020 1.969066
111.2841 1.740604
111.7662 1.643773
112.2483 1.582635
112.7304 1.680837
113.2125 2.122600
113.6947 2.592278
114.1768 2.797481
114.6589 2.974419
115.1410 3.025878
115.6231 2.799626
116.1052 2.475551
116.5874 2.265983
117.0695 2.552156
117.5516 2.951539
118.0337 3.070391
118.5158 2.401418
118.9980 1.734745
119.4801 1.459975
119.9622 1.558490
120.4443 1.687182
120.9264 1.626451
121.4085 1.507218
121.8907 1.486796
122.3728 1.810592
122.8549 2.143553
123.3370 2.147106
123.8191 1.799124
124.3012 1.450764
124.7834 1.459552
125.2655 1.681773
125.7476 1.810078
126.2297 1.591936
126.7118 1.223970
127.1939 1.002277
127.6761 0.9629090
128.1582 0.9795780
128.6403 0.9342210
129.1224 0.8282200
129.6045 0.6683600
130.0867 0.3943080
130.5688 5.8423001E-02
131.0509 0.1585130
131.5330 0.2329820
132.0151 0.2054020
132.4972 7.8588001E-02
132.9794 0.1477350
133.4615 0.2823470
133.9436 0.1199230
134.4257 0.3124520
134.9078 0.6399970
135.3899 0.8305440
135.8721 0.8739930
136.3542 0.6869260
136.8363 0.2205500
137.3184 0.2612000
137.8005 0.5476270
138.2826 0.6266490
138.7648 0.6157120
139.2469 0.5172620
139.7290 0.3414190
140.2111 0.1372080
140.6932 0.1558280
141.1753 0.3672780
141.6575 0.2769770
142.1396 0.2850120
142.6217 0.6813530
143.1038 0.7214620
143.5859 0.3811350
144.0681 0.1976640
144.5502 0.1364030
145.0323 0.2606600
145.5144 0.7113830
145.9965 1.920177
146.4786 2.778076
146.9608 2.906563
147.4429 2.083711
147.9250 1.490297
148.4071 1.078402
148.8892 0.9533500
149.3713 1.183301
149.8535 2.272490
150.3356 3.222506
150.8177 3.744967
151.2998 3.632940
151.7819 3.536946
152.2640 3.372201
152.7462 3.232288
153.2283 3.285322
153.7104 3.600169
154.1925 4.060591
154.6746 4.648767
155.1567 5.482054
155.6389 6.218103
156.1210 6.836230
156.6031 7.332584
157.0852 7.707198
157.5673 7.819179
158.0495 7.907363
158.5316 8.092926
159.0137 8.442884
159.4958 8.823997
159.9779 9.200593
160.4600 9.582382
160.9422 10.00109
161.4243 10.48254
161.9064 10.99573
162.3885 11.50613
162.8706 11.83513
163.3527 12.36864
163.8349 13.31506
164.3170 14.62609
164.7991 16.07334
165.2812 17.21280
165.7633 18.58387
166.2454 20.66509
166.7276 23.43895
167.2097 27.11550
167.6918 31.49526
168.1739 36.66517
168.6560 43.65213
169.1381 52.94499
169.6203 64.39130
170.1024 77.23763
170.5845 91.69794
171.0666 107.8111
171.5487 126.6759
172.0309 147.9341
172.5130 167.4312
172.9951 187.5135
173.4772 203.3521
173.9593 207.2428
174.4414 191.0431
174.9236 164.5361
175.4057 135.7130
175.8878 104.3100
176.3699 76.27267
176.8520 56.46770
177.3341 43.33018
177.8163 33.54654
178.2984 26.83117
178.7805 22.23691
179.2626 18.60354
179.7447 15.98815
180.2268 14.00533
180.7090 12.49090
181.1911 11.36025
181.6732 10.38334
182.1553 9.456020
182.6374 8.611872
183.1195 7.957007
183.6017 7.494799
184.0838 7.154083
184.5659 6.870934
185.0480 6.639773
185.5301 6.418487
186.0123 6.149780
186.4944 5.870622
186.9765 5.730907
187.4586 5.757316
187.9407 5.830658
188.4228 5.834277
188.9050 5.759553
189.3871 5.539075
189.8692 5.034016
190.3513 4.328846
190.8334 3.809312
191.3155 3.491784
191.7977 3.333784
192.2798 3.336288
192.7619 3.505209
193.2440 3.639155
193.7261 3.665104
194.2082 3.590382
194.6904 3.380626
195.1725 2.993762
195.6546 2.540363
196.1367 2.282778
196.6188 2.234152
197.1009 2.182889
197.5831 1.944788
198.0652 1.519383
198.5473 1.365644
199.0294 1.582158
199.5115 1.962783
199.9937 2.054052
200.4758 1.793500
200.9579 1.486717
201.4400 1.268527
201.9221 1.136891
202.4042 1.151896
202.8864 1.376095
203.3685 1.698851
203.8506 1.872705
204.3327 1.892246
204.8148 1.753396
205.2969 1.349737
205.7791 0.5995520
206.2612 0.1994370
206.7433 0.2824200
207.2254 0.6685800
207.7075 0.8995200
208.1896 0.9394030
208.6718 0.9245020
209.1539 0.9362960
209.6360 0.9916960
210.1181 0.9796730
210.6002 0.8715290
211.0823 0.7054620
211.5645 0.5913990
212.0466 0.5454110
212.5287 0.5136900
213.0108 0.4314990
213.4929 0.2310400
213.9750 0.2733490
214.4572 0.7073970
214.9393 1.359438
215.4214 1.637455
215.9035 1.361745
216.3856 1.060542
216.8678 1.050274
217.3499 1.447598
217.8320 1.767765
218.3141 1.940392
218.7962 2.026201
219.2783 2.195736
219.7605 2.390645
220.2426 2.727883
220.7247 3.324352
221.2068 4.326529
221.6889 5.191324
222.1710 5.786484
222.6532 6.246120
223.1353 6.963594
223.6174 7.947985
224.0995 9.181679
224.5816 10.67389
225.0637 12.51981
225.5459 14.38142
226.0280 16.03731
226.5101 17.74971
226.9922 20.33317
227.4743 24.24663
227.9564 28.36174
228.4386 32.18003
228.9207 35.47537
229.4028 38.80684
229.8849 41.95844
230.3670 45.20854
230.8492 49.32703
231.3313 53.76789
231.8134 59.82172
232.2955 68.16226
232.7776 78.74413
233.2597 91.52637
233.7419 107.2900
234.2240 125.0711
234.7061 142.6479
235.1882 163.2542
235.6703 178.7684
236.1524 186.1641
236.6346 185.6418
237.1167 175.6841
237.5988 152.3271
238.0809 121.0385
238.5630 93.70176
239.0451 70.21105
239.5273 51.13807
240.0094 37.08060
240.4915 29.45914
240.9736 23.14718
241.4557 18.25564
241.9378 14.57417
242.4200 11.75014
242.9021 10.07888
243.3842 8.761300
243.8663 7.514131
244.3484 6.316505
244.8306 5.242659
245.3127 4.275635
245.7948 3.448952
246.2769 2.855886
246.7590 2.629778
247.2411 2.420603
247.7233 2.109189
248.2054 1.669614
248.6875 1.211317
249.1696 0.6760250
249.6517 0.1644780
250.1338 0.1522010
250.6160 0.2259250
251.0981 0.1888980
251.5802 5.4031000E-02
252.0623 0.2152730
252.5444 0.3991720
253.0265 0.4787730
253.5087 0.4869670
253.9908 0.4596270
254.4729 0.3731060
254.9550 0.2947850
255.4371 0.1992130
255.9192 5.0747000E-02
256.4014 0.1945570
256.8835 0.7588540
257.3656 1.489124
257.8477 2.046875
258.3298 2.233133
258.8120 2.694996
259.2941 3.587675
259.7762 4.924809
260.2583 6.534645
260.7404 8.323542
261.2225 10.51946
261.7047 13.50548
262.1868 17.57301
262.6689 21.74610
263.1510 26.17022
263.6331 30.76462
264.1152 33.97681
264.5974 35.94218
265.0795 36.26642
265.5616 34.28542
266.0437 29.35217
266.5258 24.10868
267.0079 18.77188
267.4901 13.41558
267.9722 9.118511
268.4543 5.895527
268.9364 3.612249
269.4185 2.345304
269.9006 2.358280
270.3828 2.231310
270.8649 1.697615
271.3470 0.8646970
271.8291 0.2321000
272.3112 0.1772480
272.7933 0.4638860
273.2755 0.6694260
273.7576 0.7766740
274.2397 0.9340040
274.7218 1.180317
275.2039 1.475264
275.6860 1.712036
276.1682 1.903908
276.6503 1.994436
277.1324 1.893955
277.6145 1.580713
278.0966 1.392979
278.5787 1.384701
279.0609 1.481115
279.5430 1.526955
280.0251 1.518881
280.5072 1.477400
280.9893 1.408018
281.4715 1.311720
281.9536 1.202387
282.4357 1.081387
282.9178 0.9457820
283.3999 0.7723010
283.8820 0.5569320
284.3642 0.3792340
284.8463 0.3441070
285.3284 0.4240670
285.8105 0.2749200
286.2926 0.1453130
286.7747 0.6660800
287.2569 1.025755
287.7390 1.232647
288.2211 1.517759
288.7032 2.006552
289.1853 2.654690
289.6674 3.268103
290.1496 3.843151
290.6317 4.428638
291.1138 4.960634
291.5959 5.493740
292.0780 6.386454
292.5602 7.892603
293.0423 9.793648
293.5244 11.56462
294.0065 13.19457
294.4886 14.75413
294.9707 16.52499
295.4529 18.34569
295.9350 19.60061
296.4171 20.12367
296.8992 20.02162
297.3813 19.31825
297.8634 18.05471
298.3456 16.64088
298.8277 15.34018
299.3098 14.13127
299.7919 12.93594
300.2740 11.65462
300.7561 10.54729
301.2383 9.966347
301.7204 9.873764
302.2025 10.14154
302.6846 10.61679
303.1667 11.41823
303.6488 12.73848
304.1310 14.60021
304.6131 16.96685
305.0952 19.52132
305.5773 22.49169
306.0594 26.47604
306.5415 31.75482
307.0237 38.24218
307.5058 45.89760
307.9879 54.66645
308.4700 64.69589
308.9521 76.84029
309.4343 90.29217
309.9164 103.8793
310.3985 120.0087
310.8806 134.2064
311.3627 143.7482
311.8448 148.6029
312.3270 147.8801
312.8091 138.8728
313.2912 124.7091
313.7733 109.0822
314.2554 90.62536
314.7375 73.37353
315.2197 59.33835
315.7018 48.30827
316.1839 39.44738
316.6660 32.85168
317.1481 27.96975
317.6302 24.43600
318.1124 22.41602
318.5945 21.34563
319.0766 21.09385
319.5587 21.65022
320.0408 22.95654
320.5229 25.12450
321.0051 27.94470
321.4872 31.36305
321.9693 35.57261
322.4514 39.92555
322.9335 44.92133
323.4156 49.92559
323.8978 53.71524
324.3799 56.77492
324.8620 57.98626
325.3441 56.75183
325.8262 52.51555
326.3083 47.49170
326.7905 40.82896
327.2726 33.77171
327.7547 27.93739
328.2368 23.70562
328.7189 20.30525
329.2010 17.67013
329.6832 15.84556
330.1653 14.49678
330.6474 13.79868
331.1295 13.45667
331.6116 13.22240
332.0938 12.96993
332.5759 13.02401
333.0580 13.53323
333.5401 14.43233
334.0222 15.12516
334.5043 15.35904
334.9865 15.76860
335.4686 16.78158
335.9507 18.60722
336.4328 20.43090
336.9149 22.14860
337.3970 23.89090
337.8792 25.91355
338.3613 28.26090
338.8434 30.84999
339.3255 33.61560
339.8076 36.53064
340.2898 39.91466
340.7719 43.77161
341.2540 48.14253
341.7361 52.98224
342.2182 58.10369
342.7003 64.60944
343.1825 72.84473
343.6646 82.80572
344.1467 93.54377
344.6288 104.9144
345.1109 118.1976
345.5930 134.3419
346.0752 153.3130
346.5573 176.5153
347.0394 204.2877
347.5215 236.6480
348.0036 274.8174
348.4857 318.6229
348.9679 366.3936
349.4500 421.9046
349.9321 481.2303
350.4142 534.3267
350.8963 581.9679
351.3784 617.8824
351.8606 633.4883
352.3427 629.8229
352.8248 610.5641
353.3069 571.0516
353.7890 519.8383
354.2711 465.3573
354.7533 407.6803
355.2354 353.8621
355.7175 309.5963
356.1996 273.9403
356.6817 245.2563
357.1638 224.2278
357.6460 208.9490
358.1281 198.5270
358.6102 192.8011
359.0923 189.8697
359.5744 188.7645
360.0565 189.9597
360.5387 193.8937
361.0208 200.4516
361.5029 210.1020
361.9850 222.2589
362.4671 237.4902
362.9492 257.4366
363.4314 281.2725
363.9135 310.9320
364.3956 347.3951
364.8777 390.8967
365.3598 441.5973
365.8419 500.4386
366.3241 566.1234
366.8062 636.5069
367.2883 717.1832
367.7704 796.9365
368.2526 876.4831
368.7347 959.1144
369.2168 1022.615
369.6989 1070.027
370.1810 1096.798
370.6631 1099.344
371.1453 1072.382
371.6274 1028.373
372.1095 964.0737
372.5916 881.8858
373.0737 799.3334
373.5558 712.3263
374.0380 629.9832
374.5201 556.0453
375.0022 491.4487
375.4843 434.4981
375.9664 385.5996
376.4485 344.0185
376.9307 307.4639
377.4128 276.4486
377.8949 249.5755
378.3770 226.8776
378.8591 208.3424
379.3412 192.4765
379.8234 179.5954
380.3055 168.8182
380.7876 159.8186
381.2697 152.4409
381.7518 145.5404
382.2339 139.2767
382.7161 132.9711
383.1982 124.5993
383.6803 114.2870
384.1624 103.5305
384.6445 93.05665
385.1266 83.08372
385.6088 74.19504
386.0909 66.57214
386.5730 59.81182
387.0551 53.53531
387.5372 47.85175
388.0193 42.96625
388.5015 39.28831
388.9836 36.36420
389.4657 33.79757
389.9478 31.57149
390.4299 29.53472
390.9120 27.60738
391.3942 25.79570
391.8763 24.13846
392.3584 22.78596
392.8405 21.45627
393.3226 19.85016
393.8047 18.08452
394.2869 16.69467
394.7690 16.30373
395.2511 16.07068
395.7332 15.42340
396.2154 13.93242
396.6975 12.74330
397.1796 12.38958
397.6617 12.43264
398.1438 12.12347
398.6259 10.87178
399.1081 9.732719
399.5902 9.058701
400.0723 8.937866
400.5544 8.673433
401.0365 8.186419
401.5186 7.611359
402.0008 7.050541
402.4829 6.434954
402.9650 5.960619
403.4471 5.689327
403.9292 5.573990
404.4113 5.428988
404.8935 5.252005
405.3756 5.051777
405.8577 4.813532
406.3398 4.528193
406.8219 4.313751
407.3040 4.224176
407.7862 4.125320
408.2683 3.762646
408.7504 3.121641
409.2325 2.547209
409.7146 2.082640
410.1967 1.765003
410.6789 1.766775
411.1610 2.112883
411.6431 2.416645
412.1252 2.239990
412.6073 1.743017
413.0894 1.387119
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