#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:42 +0300 (Thu, 24 May 2018) $
#$Revision: 791 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000286.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_1000286
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        R100049
_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            R100049.rod
_rod_data_source.block           3500000
_rod_database.code               1000286
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
90.01007 0.0000000E+00
90.49219 6.529063
90.97430 5.344815
91.45642 4.614058
91.93854 4.063536
92.42065 3.720477
92.90277 3.802252
93.38489 4.375988
93.86700 5.007344
94.34912 5.109247
94.83124 4.749905
95.31335 4.388746
95.79547 4.254280
96.27759 4.325100
96.75970 4.565528
97.24182 5.003283
97.72394 5.539810
98.20605 5.993106
98.68817 6.381063
99.17029 6.708374
99.65240 6.984337
100.1345 7.208706
100.6166 7.655127
101.0988 8.400127
101.5809 9.343226
102.0630 10.02186
102.5451 10.32607
103.0272 10.44586
103.5093 10.59070
103.9915 10.77006
104.4736 10.99140
104.9557 11.18487
105.4378 11.31943
105.9199 11.45383
106.4020 11.76161
106.8842 12.16754
107.3663 12.47962
107.8484 12.63439
108.3305 12.89867
108.8126 13.64460
109.2947 14.74789
109.7769 15.51979
110.2590 16.59830
110.7411 18.05785
111.2232 19.71449
111.7053 21.74335
112.1874 23.54276
112.6696 24.92642
113.1517 25.71854
113.6338 25.57045
114.1159 25.01406
114.5980 24.44568
115.0801 23.62509
115.5623 22.32440
116.0444 20.84372
116.5265 19.41717
117.0086 18.14136
117.4907 16.89358
117.9728 15.53656
118.4550 14.05883
118.9371 12.84029
119.4192 12.24547
119.9013 11.97063
120.3834 11.62339
120.8655 11.17499
121.3477 10.51417
121.8298 9.448168
122.3119 7.879951
122.7940 6.375405
123.2761 5.343194
123.7582 4.675467
124.2404 4.132546
124.7225 3.722414
125.2046 3.320005
125.6867 2.756273
126.1688 1.984396
126.6509 1.108870
127.1331 9.0775996E-02
127.6152 1.003471
128.0973 1.843284
128.5794 1.884701
129.0615 1.494884
129.5436 1.599673
130.0258 2.587440
130.5079 3.956849
130.9900 4.841009
131.4721 5.239758
131.9542 5.419203
132.4363 5.601846
132.9185 5.769794
133.4006 5.791816
133.8827 5.580275
134.3648 5.211360
134.8469 4.962156
135.3290 4.895052
135.8112 4.670250
136.2933 3.810188
136.7754 2.265842
137.2575 0.7524430
137.7396 0.4691390
138.2217 1.373972
138.7039 2.426155
139.1860 3.657957
139.6681 4.987719
140.1502 6.383261
140.6323 7.880047
141.1144 9.253399
141.5966 10.42841
142.0787 11.38889
142.5608 12.17062
143.0429 12.74332
143.5250 13.15745
144.0071 13.47478
144.4893 13.53731
144.9714 13.74369
145.4535 14.19391
145.9356 14.61383
146.4177 15.90938
146.8998 18.58604
147.3820 22.21373
147.8641 25.36216
148.3462 27.11112
148.8283 28.75028
149.3104 30.99011
149.7925 34.09505
150.2747 37.44205
150.7568 41.03665
151.2389 44.85406
151.7210 48.60794
152.2031 52.37827
152.6852 55.99290
153.1674 59.39310
153.6495 62.42223
154.1316 65.35725
154.6137 68.31020
155.0958 71.28724
155.5779 73.93215
156.0601 75.88048
156.5422 77.63211
157.0243 79.58428
157.5064 81.99523
157.9885 84.44102
158.4706 86.70810
158.9528 88.73124
159.4349 91.08732
159.9170 94.06966
160.3991 97.42166
160.8812 100.8465
161.3633 104.0545
161.8455 107.4822
162.3276 111.2652
162.8097 115.3074
163.2918 119.9600
163.7739 125.5945
164.2560 131.6492
164.7382 136.3084
165.2203 140.7622
165.7024 144.9051
166.1845 148.4050
166.6666 151.2018
167.1487 153.5239
167.6309 155.0300
168.1130 156.1820
168.5951 157.9197
169.0772 161.5427
169.5593 165.4965
170.0414 168.3783
170.5236 169.6628
171.0057 170.5714
171.4878 172.0568
171.9699 173.9418
172.4520 175.6339
172.9341 176.3970
173.4163 176.9498
173.8984 178.2364
174.3805 180.8736
174.8626 183.6143
175.3447 185.5349
175.8268 186.6635
176.3090 187.1011
176.7911 187.1566
177.2732 186.5391
177.7553 184.6889
178.2374 181.1515
178.7195 176.6750
179.2017 172.3490
179.6838 168.0628
180.1659 163.0734
180.6480 156.0131
181.1301 147.7916
181.6122 140.4274
182.0944 134.8053
182.5765 130.1288
183.0586 124.8983
183.5407 119.1915
184.0228 113.4883
184.5049 108.2380
184.9871 103.3491
185.4692 98.73106
185.9513 94.29807
186.4334 90.18108
186.9155 86.55853
187.3976 83.42711
187.8798 80.51249
188.3619 77.61716
188.8440 74.75491
189.3261 71.96299
189.8082 69.15966
190.2903 66.42976
190.7725 64.05627
191.2546 62.03891
191.7367 60.36063
192.2188 59.27548
192.7009 58.72129
193.1830 57.60379
193.6652 54.94991
194.1473 51.22562
194.6294 49.46593
195.1115 49.94687
195.5936 51.39053
196.0757 52.25880
196.5579 52.53754
197.0400 52.62155
197.5221 52.53148
198.0042 52.29325
198.4863 52.41794
198.9684 52.99084
199.4506 53.73550
199.9327 54.26152
200.4148 54.57155
200.8969 54.70222
201.3790 54.46717
201.8611 53.82768
202.3433 53.96945
202.8254 55.04005
203.3075 56.65379
203.7896 58.21358
204.2717 59.75244
204.7538 61.11694
205.2360 62.14226
205.7181 62.75853
206.2002 63.70718
206.6823 65.13788
207.1644 66.71848
207.6465 67.68269
208.1287 67.74158
208.6108 68.14503
209.0929 69.58167
209.5750 72.30835
210.0571 74.72812
210.5392 76.78014
211.0214 78.60803
211.5035 80.44014
211.9856 82.14777
212.4677 84.15645
212.9498 86.72144
213.4319 89.95580
213.9140 93.33698
214.3962 96.99774
214.8783 100.7306
215.3604 103.8279
215.8425 105.8345
216.3246 108.2809
216.8067 112.0586
217.2889 117.6231
217.7710 122.7352
218.2531 127.2352
218.7352 131.3474
219.2173 135.6367
219.6994 140.0475
220.1816 144.5963
220.6637 149.3237
221.1458 154.1044
221.6279 159.6030
222.1100 166.0749
222.5921 173.1528
223.0743 180.0729
223.5564 186.5650
224.0385 193.2287
224.5206 200.2115
225.0027 207.6674
225.4848 215.3714
225.9670 223.0684
226.4491 230.9637
226.9312 239.9749
227.4133 250.7399
227.8954 261.5172
228.3775 271.1299
228.8597 278.8699
229.3418 287.7910
229.8239 298.5135
230.3060 310.2953
230.7881 320.7280
231.2702 329.5098
231.7524 337.5851
232.2345 345.5638
232.7166 354.9532
233.1987 361.0206
233.6808 363.4010
234.1629 362.5551
234.6451 359.8221
235.1272 356.1458
235.6093 349.2243
236.0914 337.7043
236.5735 319.6250
237.0556 301.4250
237.5378 282.9225
238.0199 264.3727
238.5020 246.4644
238.9841 229.0488
239.4662 212.2025
239.9483 195.7588
240.4305 179.4057
240.9126 164.5139
241.3947 151.0400
241.8768 139.0207
242.3589 128.6697
242.8410 120.5925
243.3232 113.2475
243.8053 105.9613
244.2874 98.14056
244.7695 91.81924
245.2516 87.34433
245.7337 84.18811
246.2159 81.24216
246.6980 78.65341
247.1801 76.04053
247.6622 73.15227
248.1443 69.64923
248.6264 66.85623
249.1086 65.04280
249.5907 63.79259
250.0728 62.17781
250.5549 59.74338
251.0370 57.71255
251.5191 56.68327
252.0013 57.11746
252.4834 56.97333
252.9655 55.94574
253.4476 54.51511
253.9297 53.63710
254.4118 53.70425
254.8940 53.59044
255.3761 52.84084
255.8582 51.25800
256.3403 49.80910
256.8224 48.49986
257.3046 47.32133
257.7867 46.26666
258.2688 45.30127
258.7509 44.54059
259.2330 44.17053
259.7151 44.37688
260.1973 43.88626
260.6794 42.58900
261.1615 40.71378
261.6436 38.51140
262.1257 35.73709
262.6078 33.20682
263.0900 31.30052
263.5721 30.10849
264.0542 28.48793
264.5363 26.29825
265.0184 23.82904
265.5005 21.39740
265.9827 19.08229
266.4648 16.59546
266.9469 13.70801
267.4290 10.40337
267.9111 7.846252
268.3932 6.226257
268.8754 5.085052
269.3575 3.957779
269.8396 2.853348
270.3217 1.703232
270.8038 0.4757840
271.2859 0.8292240
271.7681 2.073654
272.2502 3.247543
272.7323 4.381287
273.2144 5.497635
273.6965 6.614288
274.1786 7.632751
274.6608 8.504608
275.1429 9.255737
275.6250 10.17119
276.1071 11.36856
276.5892 12.39392
277.0714 12.70752
277.5535 12.22046
278.0356 11.86655
278.5177 11.88962
278.9998 12.15706
279.4819 12.15726
279.9641 11.88625
280.4462 11.33994
280.9283 10.36624
281.4104 8.953979
281.8925 7.817886
282.3746 7.178986
282.8568 6.798691
283.3389 5.989044
283.8210 4.718842
284.3031 3.265671
284.7852 1.784241
285.2673 0.2917180
285.7495 1.186462
286.2316 2.578430
286.7137 4.043839
287.1958 5.963745
287.6779 8.345413
288.1600 10.87120
288.6422 13.22176
289.1243 15.50343
289.6064 18.26749
290.0885 21.61992
290.5706 25.40442
291.0527 29.48517
291.5349 33.84596
292.0170 38.25081
292.4991 42.28810
292.9812 46.22241
293.4633 50.96472
293.9454 56.71248
294.4276 62.78014
294.9097 68.09567
295.3918 72.82637
295.8739 77.74443
296.3560 83.41527
296.8381 89.50609
297.3203 95.02527
297.8024 99.88315
298.2845 104.5789
298.7666 109.5888
299.2487 114.8133
299.7308 120.1161
300.2130 125.6936
300.6951 131.2188
301.1772 135.9100
301.6593 139.7514
302.1414 143.9379
302.6235 149.3064
303.1057 155.7649
303.5878 162.9832
304.0699 170.9923
304.5520 179.7080
305.0341 189.1179
305.5162 199.1648
305.9984 209.8153
306.4805 220.7295
306.9626 232.2390
307.4447 244.7674
307.9268 259.6480
308.4089 274.1800
308.8911 286.2210
309.3732 295.9620
309.8553 304.2021
310.3374 311.8598
310.8195 318.0606
311.3016 321.8620
311.7838 323.0822
312.2659 321.8723
312.7480 318.3176
313.2301 312.4075
313.7122 304.0763
314.1943 291.8445
314.6765 278.0336
315.1586 264.0439
315.6407 249.9682
316.1228 236.2564
316.6049 222.7412
317.0870 209.8374
317.5692 198.4153
318.0513 188.9265
318.5334 180.7248
319.0155 173.2825
319.4976 166.3085
319.9797 161.3733
320.4619 159.6025
320.9440 159.9078
321.4261 161.0777
321.9082 162.7162
322.3903 165.2613
322.8724 169.1487
323.3546 174.4052
323.8367 179.5908
324.3188 184.3655
324.8009 189.0368
325.2830 193.7842
325.7651 200.2116
326.2473 205.0377
326.7294 207.6645
327.2115 208.2135
327.6936 207.6291
328.1757 205.4798
328.6578 202.5481
329.1400 199.1609
329.6221 194.7140
330.1042 190.6570
330.5863 186.6801
331.0684 183.0723
331.5505 180.7248
332.0327 179.7688
332.5148 179.8999
332.9969 181.1188
333.4790 183.6723
333.9611 186.4341
334.4432 189.3547
334.9254 192.5827
335.4075 196.1838
335.8896 199.8206
336.3717 204.5739
336.8538 211.0514
337.3359 219.5779
337.8180 227.0685
338.3001 232.9219
338.7823 238.7175
339.2644 246.2344
339.7465 255.8376
340.2286 265.6769
340.7107 275.2338
341.1928 284.7094
341.6750 293.9856
342.1571 302.8378
342.6392 312.8015
343.1213 325.9304
343.6034 342.1281
344.0855 357.5192
344.5677 370.9205
345.0498 383.5487
345.5319 397.7947
346.0140 413.6570
346.4961 431.0723
346.9782 450.0042
347.4604 470.5614
347.9425 492.3976
348.4246 515.7775
348.9067 540.2623
349.3888 565.4073
349.8709 591.2394
350.3531 617.8629
350.8352 645.2496
351.3173 673.8899
351.7994 702.8636
352.2815 733.6735
352.7636 764.9862
353.2458 796.9659
353.7279 828.8596
354.2100 858.9842
354.6921 884.7043
355.1742 909.5799
355.6563 938.2590
356.1385 970.2936
356.6206 1002.296
357.1027 1030.443
357.5848 1057.713
358.0669 1087.955
358.5490 1122.190
359.0312 1159.403
359.5133 1198.290
359.9954 1239.608
360.4775 1286.295
360.9596 1341.257
361.4417 1401.118
361.9239 1463.332
362.4060 1525.688
362.8881 1595.461
363.3702 1676.790
363.8523 1766.897
364.3344 1861.629
364.8166 1961.505
365.2987 2065.300
365.7808 2172.001
366.2629 2283.228
366.7450 2391.178
367.2271 2501.710
367.7093 2605.117
368.1914 2692.773
368.6735 2773.066
369.1556 2827.597
369.6377 2854.572
370.1198 2854.542
370.6020 2824.000
371.0841 2758.199
371.5662 2665.802
372.0483 2551.219
372.5304 2404.986
373.0125 2251.899
373.4947 2089.606
373.9768 1923.290
374.4589 1761.745
374.9410 1601.929
375.4231 1452.371
375.9052 1315.071
376.3874 1189.740
376.8695 1075.249
377.3516 970.4122
377.8337 876.6215
378.3158 793.2476
378.7979 720.4269
379.2801 655.1846
379.7622 596.5075
380.2443 544.5295
380.7264 497.5781
381.2085 456.0010
381.6906 418.7100
382.1728 385.6580
382.6549 356.2509
383.1370 328.7401
383.6191 302.5005
384.1012 278.0812
384.5833 255.7801
385.0655 235.6101
385.5476 217.7166
386.0297 202.4769
386.5118 189.2151
386.9939 176.3936
387.4760 163.9489
387.9582 152.1277
388.4403 140.7031
388.9224 129.9577
389.4045 120.5392
389.8866 113.5508
390.3687 107.2937
390.8509 100.2330
391.3330 92.49988
391.8151 85.30078
392.2972 79.86971
392.7793 75.15762
393.2614 70.08325
393.7436 63.82520
394.2257 58.04053
394.7078 53.63364
395.1899 50.29655
395.6720 47.22089
396.1541 44.22830
396.6363 41.38013
397.1184 38.75702
397.6005 36.48454
398.0826 34.06947
398.5647 31.19516
399.0468 28.22253
399.5290 25.58881
400.0111 23.46921
400.4932 21.53680
400.9753 19.75665
401.4574 18.12016
401.9395 16.59329
402.4217 15.07295
402.9038 13.74977
403.3859 12.78424
403.8680 12.36119
404.3501 11.98244
404.8322 11.54263
405.3144 11.07516
405.7965 10.82530
406.2786 10.90819
406.7607 10.71848
407.2428 9.807480
407.7249 8.117050
408.2071 7.186005
408.6892 7.106705
409.1713 7.303482
409.6534 7.011734
410.1355 6.274933
410.6176 5.797195
411.0998 5.955704
411.5819 6.344696
412.0640 5.986038
412.5461 4.915848
413.0282 3.795914
413.5103 3.146423
413.9925 2.824249
414.4746 2.558487
414.9567 2.344101
415.4388 2.057022
415.9209 1.388763
416.4030 0.5293880
416.8852 7.1883999E-02
417.3673 0.2376400
417.8494 0.6299290
418.3315 0.2708440
418.8136 0.8926390
419.2957 1.942520
419.7779 2.403549
420.2600 2.472519
420.7421 2.334396
421.2242 1.422043
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